#------------------------------------------------------------------------------
#$Date: 2025-03-04 21:18:19 +0200 (Tue, 04 Mar 2025) $
#$Revision: 298126 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/34/1573414.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1573414
loop_
_publ_author_name
'Corner, Sophie C.'
'Blackmore, William J. A.'
'Gransbury, Gemma K.'
'Mattioni, Andrea'
'Whitehead, George F. S.'
'Chilton, Nicholas F.'
'Mills, David P.'
_publ_section_title
;
 A fluorobenzene-bound dysprosium half-sandwich dication single-molecule
 magnet.
;
_journal_issue                   2
_journal_name_full               'Chemical science'
_journal_page_first              610
_journal_page_last               620
_journal_paper_doi               10.1039/d4sc06661h
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety
'2(C46 H45 Dy F6), 4(Al2 C24 F55 O6), C6 H5 F, 2(C6 H14)'
_chemical_formula_sum            'C206 H123 Al8 Dy2 F233 O24'
_chemical_formula_weight         7949.88
_chemical_name_systematic        '[Dy(Cp*)(FPh)6][{Al[OC(CF3)3]3}2(F)]'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_date             2024-06-06
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2024-06-26 deposited with the CCDC.	2024-11-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.8490(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   18.2139(3)
_cell_length_b                   19.3140(4)
_cell_length_c                   40.1803(6)
_cell_measurement_reflns_used    41993
_cell_measurement_temperature    99.9(2)
_cell_measurement_theta_max      75.7940
_cell_measurement_theta_min      2.1870
_cell_volume                     14084.2(4)
_computing_cell_refinement       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.9(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     27.00 126.00   0.50    1.00    --   43.87  50.00-150.00  198
  2  ω    -46.00 -18.00   0.50    1.00    --   43.87  50.00-150.00   56
  3  ω    -25.00   2.00   0.50    1.00    --   46.33  60.00 -90.00   54
  4  ω    -38.00  -8.00   0.50    1.00    --   46.33  40.00  30.00   60
  5  ω      3.00  39.00   0.50    1.00    --   46.33  40.00  30.00   72
  6  ω     51.00 112.00   0.50    1.00    --   46.33  60.00 -90.00  122
  7  ω    -43.00 136.00   0.50    1.00    --   46.33  60.00 -30.00  358
  8  ω     79.00 136.00   0.50    1.00    --   46.33  40.00  30.00  114
  9  ω     67.00 109.00   0.50    2.00    --  108.20  60.00  90.47   84
 10  ω     20.00  52.00   0.50    2.00    --  108.20  60.00-154.72   64
 11  ω    136.00 197.00   0.50    2.00    --  108.20  60.00-118.46  122
 12  ω     19.00  66.00   0.50    2.00    --  108.20  20.00-150.00   94
 13  ω     96.00 198.00   0.50    2.00    --  108.20  20.00-150.00  204
 14  ω     19.00 198.00   0.50    2.00    --  108.20  50.00  60.00  358
 15  ω    139.00 189.00   0.50    2.00    --  108.20  60.00  -5.79  100
 16  ω     39.00  69.00   0.50    2.00    --  108.20  60.00 -51.49   60
 17  ω     19.00 183.00   0.50    2.00    --  108.20  59.00  43.20  328
 18  ω     73.00 125.00   0.50    2.00    --  108.20  60.00-118.46  104
 19  ω     81.00 129.00   0.50    2.00    --  108.20  58.00 -57.84   96
 20  ω    158.00 184.00   0.50    2.00    --  108.20  60.00  90.47   52
 21  ω     20.00  46.00   0.50    2.00    --  108.20  60.00-118.46   52
 22  ω    140.00 165.00   0.50    2.00    --  108.20  60.00 -51.49   50
 23  ω     19.00 130.00   0.50    2.00    --  108.20  60.00  -5.79  222
 24  ω    155.00 197.00   0.50    2.00    --  108.20  60.00-154.72   84
 25  ω     65.00  95.00   0.50    2.00    --  108.20  50.00-180.00   60
 26  ω    126.00 193.00   0.50    2.00    --  108.20  50.00-180.00  134
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC11 (RINC): quarter-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0842480000
_diffrn_orient_matrix_UB_12      -0.0087136000
_diffrn_orient_matrix_UB_13      -0.0054844000
_diffrn_orient_matrix_UB_21      0.0105148000
_diffrn_orient_matrix_UB_22      -0.0669993000
_diffrn_orient_matrix_UB_23      -0.0198744000
_diffrn_orient_matrix_UB_31      0.0006975000
_diffrn_orient_matrix_UB_32      -0.0424019000
_diffrn_orient_matrix_UB_33      0.0324770000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.1105
_diffrn_reflns_av_unetI/netI     0.0807
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            148391
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.357
_diffrn_reflns_theta_min         2.207
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_exptl_absorpt_coefficient_mu    5.042
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.715
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.69a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.875
_exptl_crystal_description       block
_exptl_crystal_F_000             7768
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Fluorobenzene layered with n-hexane'
_exptl_crystal_size_max          0.164
_exptl_crystal_size_mid          0.144
_exptl_crystal_size_min          0.098
_refine_diff_density_max         1.305
_refine_diff_density_min         -1.211
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3277
_refine_ls_number_reflns         29078
_refine_ls_number_restraints     16088
_refine_ls_restrained_S_all      1.195
_refine_ls_R_factor_all          0.1074
_refine_ls_R_factor_gt           0.0910
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2580
_refine_ls_wR_factor_ref         0.2804
_reflns_Friedel_coverage         0.000
_reflns_number_gt                21765
_reflns_number_total             29078
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc06661h2.cif
_cod_data_source_block           ldpm347
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_atom_sites_solution_secondary' value 'diffmap' was
changed to 'difmap'.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 1573408--1573414.cif.
;
_cod_database_code               1573414
_manchester_internal_diff_code   ldpm347
_manchester_internal_coll_client SCC
_manchester_internal_coll_date   09/02/24
_manchester_internal_process_date 20/03/24
_manchester_internal_process_user SCC
_manchester_internal_solution_date 20/03/24
_manchester_internal_solution_user SCC
_manchester_internal_refinement_date 20/03/24
_manchester_internal_refinement_user SCC
_manchester_internal_validation_date 06/06/24
_manchester_internal_validation_user SCC
_shelx_shelxl_version_number     2019/3
_chemical_oxdiff_formula         DyAlOCF
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.638
_shelx_estimated_absorpt_t_min   0.492
_reflns_odcompleteness_completeness 99.68
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F9-C50
 1.35 with sigma of 0.02
 F12_2-F10_5
 -2.8 with sigma of 0.02
 C58-C57 = C57-C56 = C55-C56 = C55-C54 = C53-C54
 1.5 with sigma of 0.02
 F12_5-F12_2
 -2.8 with sigma of 0.02
 F9_1-F14_18
 -2.8 with sigma of 0.02
 F9_1-F15_18
 -2.8 with sigma of 0.02
 F13_6-F10_6
 -2.8 with sigma of 0.02
 F8_16-F10_16
 -2.8 with sigma of 0.02
 F9_18-F13_21
 -2.8 with sigma of 0.02
 F14_18-F11_18
 -2.8 with sigma of 0.02
 F12_2-F11_5
 -2.8 with sigma of 0.02
 C53-C55 \\sim C54-C56 \\sim C57-C55 \\sim C58-C56
 with sigma of 0.02
 Al3-O1_12 \\sim Al3-O1_13 \\sim Al3-O1_9 \\sim Al3-O1_14 \\sim Al4-O1_15 \\sim
Al4-O1_10 \\sim Al4-
 O1_11 \\sim Al4-O1_16 \\sim Al3-O1_7 \\sim Al3-O1_17
 with sigma of 0.02
 F9-C49 \\sim F9-C51
 with sigma of 0.02
3. Restrained planarity
 F9, C47, C48, C49, C50, C51, C52
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Same fragment restrains
{F7_3, F8_3, F9_3, F10_3, F11_3, F12_3, F13_3, F14_3, F15_3, O1_3, C47_3,
C48_3, C49_3, C50_3}
{F7_4, F8_4, F9_4, F10_4, F11_4, F12_4, F13_4, F14_4, F15_4, O1_4, C47_4,
C48_4, C49_4, C50_4}
{F7_5, F8_5, F9_5, F10_5, F11_5, F12_5, F13_5, F14_5, F15_5, O1_5, C47_5,
C48_5, C49_5, C50_5}
{F7_6, F8_6, F9_6, F10_6, F11_6, F12_6, F13_6, F14_6, F15_6, O1_6, C47_6,
C48_6, C49_6, C50_6}
{F7_7, F8_7, F9_7, F10_7, F11_7, F12_7, F13_7, F14_7, F15_7, O1_7, C47_7,
C48_7, C49_7, C50_7}
{F7_8, F8_8, F9_8, F10_8, F11_8, F12_8, F13_8, F14_8, F15_8, O1_8, C47_8,
C48_8, C49_8, C50_8}
{F7_9, F8_9, F9_9, F10_9, F11_9, F12_9, F13_9, F14_9, F15_9, O1_9, C47_9,
C48_9, C49_9, C50_9}
{F7_10, F8_10, F9_10, F10_10, F11_10, F12_10, F13_10, F14_10, F15_10, O1_10,
C47_10, C48_10, C49_10, C50_10}
{F7_11, F8_11, F9_11, F10_11, F11_11, F12_11, F13_11, F14_11, F15_11, O1_11,
C47_11, C48_11, C49_11, C50_11}
{F7_12, F8_12, F9_12, F10_12, F11_12, F12_12, F13_12, F14_12, F15_12, O1_12,
C47_12, C48_12, C49_12, C50_12}
{F7_13, F8_13, F9_13, F10_13, F11_13, F12_13, F13_13, F14_13, F15_13, O1_13,
C47_13, C48_13, C49_13, C50_13}
{F7_14, F8_14, F9_14, F10_14, F11_14, F12_14, F13_14, F14_14, F15_14, O1_14,
C47_14, C48_14, C49_14, C50_14}
{F7_15, F8_15, F9_15, F10_15, F11_15, F12_15, F13_15, F14_15, F15_15, O1_15,
C47_15, C48_15, C49_15, C50_15}
{F7_16, F8_16, F9_16, F10_16, F11_16, F12_16, F13_16, F14_16, F15_16, O1_16,
C47_16, C48_16, C49_16, C50_16}
{F7_17, F8_17, F9_17, F10_17, F11_17, F12_17, F13_17, F14_17, F15_17, O1_17,
C47_17, C48_17, C49_17, C50_17}
{F7_18, F8_18, F9_18, F10_18, F11_18, F12_18, F13_18, F14_18, F15_18, O1_18,
C47_18, C48_18, C49_18, C50_18}
{F7_19, F8_19, F9_19, F10_19, F11_19, F12_19, F13_19, F14_19, F15_19, O1_19,
C47_19, C48_19, C49_19, C50_19}
{F7_20, F8_20, F9_20, F10_20, F11_20, F12_20, F13_20, F14_20, F15_20, O1_20,
C47_20, C48_20, C49_20, C50_20}
{F7_21, F8_21, F9_21, F10_21, F11_21, F12_21, F13_21, F14_21, F15_21, O1_21,
C47_21, C48_21, C49_21, C50_21}
{F7_2, F8_2, F9_2, F10_2, F11_2, F12_2, F13_2, F14_2, F15_2, O1_2, C47_2,
C48_2, C49_2, C50_2}
as
{F7_1, F8_1, F9_1, F10_1, F11_1, F12_1, F13_1, F14_1, F15_1, O1_1, C47_1,
C48_1, C49_1, C50_1} sigma for 1-2: 0.02 1-3: 0.04
7. Others
 Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=
 Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=
 Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=
 Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=
 Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=
 Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=
 Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=
 Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=
 Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=
 Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=
 Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=
 Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=
 Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=
 Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=
 Sof(C48)=Sof(C49)=Sof(C50)=1-FVAR(1)
 Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=
 Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=
 Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=
 Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=
 Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=
 Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=
 Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=
 Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=
 Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=
 Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=
 Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=
 Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=
 Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=
 Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=
 Sof(C48)=Sof(C49)=Sof(C50)=FVAR(1)
 Fixed Sof: F9(0.5) C47(0.5) H47(0.5) C48(0.5) H48(0.5) C49(0.5) H49(0.5)
 C50(0.5) C51(0.5) H51(0.5) C52(0.5) H52(0.5)
8.a Secondary CH2 refined with riding coordinates:
 C54(H54a,H54b), C55(H55a,H55b), C56(H56a,H56b), C57(H57a,H57b)
8.b Me refined with riding coordinates:
 C53(H53a,H53b,H53c), C58(H58a,H58b,H58c)
8.c Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C15(H15), C16(H16), C18(H18), C19(H19),
 C20(H20), C21(H21), C22(H22), C24(H24), C25(H25), C26(H26), C27(H27), C28(H28),
  C30(H30), C31(H31), C32(H32), C33(H33), C34(H34), C36(H36), C37(H37),
 C38(H38), C39(H39), C40(H40), C42(H42), C43(H43), C44(H44), C45(H45), C46(H46),
  C47(H47), C48(H48), C49(H49), C51(H51), C52(H52)
8.d Fitted hexagon refined as free rotating group:
 C29(C30,C31,C32,C33,C34), C47(C48,C49,C50,C51,C52)
8.e Idealised Me refined as rotating group:
 C6(H6a,H6b,H6c), C7(H7a,H7b,H7c), C8(H8a,H8b,H8c), C9(H9a,H9b,H9c), C10(H10a,
 H10b,H10c)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 4.281
_oxdiff_exptl_absorpt_empirical_full_min 0.428
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 1.00012(2) 0.83548(2) 0.57688(2) 0.05744(12) Uani 1 1 d . . . . .
Al1 Al -0.07422(8) 0.67122(7) 0.30844(4) 0.0578(3) Uani 1 1 d . U . . .
Al2 Al 0.07201(8) 0.61909(7) 0.26190(4) 0.0626(3) Uani 1 1 d . U . . .
Al3 Al 0.56314(7) 0.75865(8) 0.42072(3) 0.0603(3) Uani 1 1 d D U . . .
Al4 Al 0.40164(7) 0.77315(7) 0.46245(3) 0.0563(3) Uani 1 1 d D U . . .
F1 F 0.9825(2) 0.7677(2) 0.62543(8) 0.0922(10) Uani 1 1 d . U . . .
F2 F 0.99297(18) 0.71657(16) 0.55734(8) 0.0744(7) Uani 1 1 d . U . . .
F3 F 1.1169(2) 0.7805(2) 0.58862(11) 0.0992(11) Uani 1 1 d . U . . .
F4 F 1.0687(3) 0.8967(3) 0.61992(10) 0.1085(13) Uani 1 1 d . U . . .
F5 F 0.9202(2) 0.9107(2) 0.60630(10) 0.0968(11) Uani 1 1 d . U . . .
F6 F 0.87454(17) 0.79504(19) 0.57011(8) 0.0779(8) Uani 1 1 d . U . . .
F7 F 0.00054(15) 0.64622(15) 0.28593(7) 0.0633(6) Uani 1 1 d . U . . .
F8 F 0.48454(14) 0.76798(15) 0.44295(7) 0.0640(6) Uani 1 1 d . U . . .
F9 F 1.1048(13) 0.5674(15) 0.5224(7) 0.298(14) Uani 0.5 1 d D U P A -1
C1 C 0.9536(3) 0.9190(3) 0.53018(14) 0.0747(12) Uani 1 1 d . U . . .
C2 C 0.9694(3) 0.8565(3) 0.51435(13) 0.0666(11) Uani 1 1 d . U . . .
C3 C 1.0464(3) 0.8461(3) 0.51831(13) 0.0651(11) Uani 1 1 d . U . . .
C4 C 1.0795(3) 0.9016(3) 0.53655(13) 0.0698(11) Uani 1 1 d . U . . .
C5 C 1.0206(3) 0.9471(3) 0.54397(14) 0.0740(12) Uani 1 1 d . U . . .
C6 C 0.8796(4) 0.9542(5) 0.5289(2) 0.110(3) Uani 1 1 d . U . . .
H6A H 0.874039 0.977341 0.550218 0.164 Uiso 1 1 calc R U . . .
H6B H 0.840468 0.919608 0.524719 0.164 Uiso 1 1 calc R U . . .
H6C H 0.876039 0.988475 0.510838 0.164 Uiso 1 1 calc R U . . .
C7 C 0.9149(4) 0.8109(5) 0.49305(15) 0.096(2) Uani 1 1 d . U . . .
H7A H 0.867278 0.810735 0.502708 0.144 Uiso 1 1 calc R U . . .
H7B H 0.934052 0.763493 0.492579 0.144 Uiso 1 1 calc R U . . .
H7C H 0.908610 0.829224 0.470250 0.144 Uiso 1 1 calc R U . . .
C8 C 1.0884(4) 0.7883(4) 0.50312(17) 0.0909(18) Uani 1 1 d . U . . .
H8A H 1.056652 0.747466 0.499987 0.136 Uiso 1 1 calc R U . . .
H8B H 1.131994 0.776731 0.518051 0.136 Uiso 1 1 calc R U . . .
H8C H 1.103768 0.803293 0.481462 0.136 Uiso 1 1 calc R U . . .
C9 C 1.1599(4) 0.9131(5) 0.54440(18) 0.0941(19) Uani 1 1 d . U . . .
H9A H 1.180117 0.876192 0.559208 0.141 Uiso 1 1 calc R U . . .
H9B H 1.167874 0.957968 0.555484 0.141 Uiso 1 1 calc R U . . .
H9C H 1.184611 0.912610 0.523663 0.141 Uiso 1 1 calc R U . . .
C10 C 1.0297(6) 1.0178(4) 0.5601(2) 0.110(3) Uani 1 1 d . U . . .
H10A H 1.063043 1.014355 0.580450 0.166 Uiso 1 1 calc R U . . .
H10B H 0.981551 1.034796 0.565713 0.166 Uiso 1 1 calc R U . . .
H10C H 1.050258 1.050027 0.544478 0.166 Uiso 1 1 calc R U . . .
C11 C 0.9982(3) 0.7561(3) 0.65979(13) 0.0729(12) Uani 1 1 d . U . . .
C12 C 1.0624(4) 0.7218(4) 0.66925(16) 0.0860(15) Uani 1 1 d . U . . .
H12 H 1.093638 0.705790 0.653123 0.103 Uiso 1 1 calc R U . . .
C13 C 1.0799(5) 0.7115(5) 0.70224(19) 0.107(2) Uani 1 1 d . U . . .
H13 H 1.123763 0.687442 0.709638 0.128 Uiso 1 1 calc R U . . .
C14 C 1.0355(6) 0.7350(6) 0.7243(2) 0.124(3) Uani 1 1 d . U . . .
H14 H 1.049446 0.728220 0.747380 0.149 Uiso 1 1 calc R U . . .
C15 C 0.9724(7) 0.7677(6) 0.7155(2) 0.129(3) Uani 1 1 d . U . . .
H15 H 0.942227 0.783556 0.732136 0.155 Uiso 1 1 calc R U . . .
C16 C 0.9503(5) 0.7786(5) 0.68086(19) 0.099(2) Uani 1 1 d . U . . .
H16 H 0.905046 0.800179 0.673386 0.119 Uiso 1 1 calc R U . . .
C17 C 0.9536(3) 0.6553(3) 0.56278(15) 0.0706(12) Uani 1 1 d . U . . .
C18 C 0.8925(4) 0.6413(4) 0.54280(18) 0.0889(17) Uani 1 1 d . U . . .
H18 H 0.876008 0.671762 0.525181 0.107 Uiso 1 1 calc R U . . .
C19 C 0.8549(5) 0.5819(4) 0.5486(2) 0.113(3) Uani 1 1 d . U . . .
H19 H 0.810724 0.571264 0.535257 0.135 Uiso 1 1 calc R U . . .
C20 C 0.8802(5) 0.5383(4) 0.5732(3) 0.119(3) Uani 1 1 d . U . . .
H20 H 0.854480 0.496459 0.576696 0.142 Uiso 1 1 calc R U . . .
C21 C 0.9419(5) 0.5537(4) 0.5928(2) 0.116(3) Uani 1 1 d . U . . .
H21 H 0.958260 0.522993 0.610353 0.140 Uiso 1 1 calc R U . . .
C22 C 0.9817(4) 0.6129(3) 0.58802(18) 0.0857(16) Uani 1 1 d . U . . .
H22 H 1.025848 0.623625 0.601358 0.103 Uiso 1 1 calc R U . . .
C23 C 1.1762(3) 0.7337(4) 0.59626(17) 0.0844(15) Uani 1 1 d . U . . .
C24 C 1.1777(5) 0.6754(4) 0.5778(3) 0.103(2) Uani 1 1 d . U . . .
H24 H 1.140620 0.667157 0.560166 0.124 Uiso 1 1 calc R U . . .
C25 C 1.2330(6) 0.6282(6) 0.5847(3) 0.134(3) Uani 1 1 d . U . . .
H25 H 1.236025 0.586828 0.572100 0.161 Uiso 1 1 calc R U . . .
C26 C 1.2871(6) 0.6453(8) 0.6125(4) 0.148(4) Uani 1 1 d . U . . .
H26 H 1.325749 0.613679 0.618738 0.178 Uiso 1 1 calc R U . . .
C27 C 1.2828(5) 0.7042(7) 0.6290(3) 0.134(3) Uani 1 1 d . U . . .
H27 H 1.319789 0.713964 0.646453 0.161 Uiso 1 1 calc R U . . .
C28 C 1.2262(4) 0.7532(6) 0.6220(2) 0.111(2) Uani 1 1 d . U . . .
H28 H 1.223093 0.795499 0.633848 0.134 Uiso 1 1 calc R U . . .
C29 C 1.1194(3) 0.9188(3) 0.64467(10) 0.0893(17) Uani 1 1 d G U . . .
C30 C 1.1813(3) 0.9554(4) 0.63673(12) 0.142(4) Uani 1 1 d G U . . .
H30 H 1.188543 0.964898 0.614040 0.171 Uiso 1 1 calc R U . . .
C31 C 1.2326(4) 0.9780(5) 0.66197(17) 0.176(5) Uani 1 1 d G U . . .
H31 H 1.274878 1.002973 0.656539 0.212 Uiso 1 1 calc R U . . .
C32 C 1.2220(4) 0.9640(5) 0.69516(15) 0.151(4) Uani 1 1 d G U . . .
H32 H 1.257042 0.979477 0.712417 0.182 Uiso 1 1 calc R U . . .
C33 C 1.1601(4) 0.9274(4) 0.70311(10) 0.133(3) Uani 1 1 d G U . . .
H33 H 1.152874 0.917903 0.725796 0.159 Uiso 1 1 calc R U . . .
C34 C 1.1088(3) 0.9048(3) 0.67787(12) 0.112(2) Uani 1 1 d G U . . .
H34 H 1.066535 0.879828 0.683297 0.135 Uiso 1 1 calc R U . . .
C35 C 0.8978(3) 0.9458(3) 0.63466(15) 0.0766(13) Uani 1 1 d . U . . .
C36 C 0.9383(5) 0.9986(4) 0.6475(2) 0.101(2) Uani 1 1 d . U . . .
H36 H 0.981359 1.013164 0.637687 0.121 Uiso 1 1 calc R U . . .
C37 C 0.9159(6) 1.0314(5) 0.6754(3) 0.121(3) Uani 1 1 d . U . . .
H37 H 0.944329 1.068220 0.685493 0.145 Uiso 1 1 calc R U . . .
C38 C 0.8528(6) 1.0108(5) 0.6883(3) 0.134(3) Uani 1 1 d . U . . .
H38 H 0.837115 1.033473 0.707457 0.160 Uiso 1 1 calc R U . . .
C39 C 0.8111(5) 0.9571(5) 0.6738(2) 0.117(3) Uani 1 1 d . U . . .
H39 H 0.766979 0.943227 0.682944 0.141 Uiso 1 1 calc R U . . .
C40 C 0.8338(4) 0.9233(4) 0.64576(19) 0.0895(16) Uani 1 1 d . U . . .
H40 H 0.806135 0.886628 0.635105 0.107 Uiso 1 1 calc R U . . .
C41 C 0.8080(3) 0.7831(3) 0.58614(15) 0.0755(13) Uani 1 1 d . U . . .
C42 C 0.8094(4) 0.7319(4) 0.60842(19) 0.0927(17) Uani 1 1 d . U . . .
H42 H 0.851560 0.703471 0.613080 0.111 Uiso 1 1 calc R U . . .
C43 C 0.7443(5) 0.7225(6) 0.6247(3) 0.120(3) Uani 1 1 d . U . . .
H43 H 0.742223 0.687496 0.641205 0.144 Uiso 1 1 calc R U . . .
C44 C 0.6847(4) 0.7633(6) 0.6167(3) 0.127(3) Uani 1 1 d . U . . .
H44 H 0.641059 0.756519 0.627699 0.153 Uiso 1 1 calc R U . . .
C45 C 0.6868(5) 0.8130(7) 0.5937(3) 0.131(3) Uani 1 1 d . U . . .
H45 H 0.644072 0.840486 0.588617 0.157 Uiso 1 1 calc R U . . .
C46 C 0.7504(4) 0.8261(4) 0.5766(2) 0.100(2) Uani 1 1 d . U . . .
H46 H 0.752682 0.861218 0.560220 0.120 Uiso 1 1 calc R U . . .
C47 C 0.9158(12) 0.467(2) 0.4865(9) 0.197(11) Uani 0.5 1 d G U P A -1
H47 H 0.871923 0.443506 0.478209 0.237 Uiso 0.5 1 calc R U P A -1
C48 C 0.9578(15) 0.4404(17) 0.5142(9) 0.188(11) Uani 0.5 1 d G U P A -1
H48 H 0.942663 0.399419 0.524755 0.226 Uiso 0.5 1 calc R U P A -1
C49 C 1.0219(14) 0.4741(15) 0.5263(7) 0.198(11) Uani 0.5 1 d DG U P A -1
H49 H 1.050653 0.456226 0.545225 0.238 Uiso 0.5 1 calc R U P A -1
C50 C 1.0441(11) 0.5341(14) 0.5108(7) 0.183(9) Uani 0.5 1 d DG U P A -1
C51 C 1.0020(13) 0.5602(16) 0.4832(7) 0.193(10) Uani 0.5 1 d DG U P A -1
H51 H 1.017165 0.601209 0.472604 0.232 Uiso 0.5 1 calc R U P A -1
C52 C 0.9379(12) 0.527(2) 0.4710(7) 0.207(11) Uani 0.5 1 d G U P A -1
H52 H 0.909175 0.544401 0.452132 0.248 Uiso 0.5 1 calc R U P A -1
C53 C 0.420(3) 0.4254(16) 0.3891(12) 0.45(2) Uani 1 1 d D U . . .
H53A H 0.386107 0.394251 0.399541 0.680 Uiso 1 1 calc R U . . .
H53B H 0.459992 0.438993 0.405543 0.680 Uiso 1 1 calc R U . . .
H53C H 0.393012 0.466744 0.380770 0.680 Uiso 1 1 calc R U . . .
C54 C 0.451(3) 0.3890(16) 0.3605(11) 0.49(2) Uani 1 1 d D U . . .
H54A H 0.410635 0.374655 0.343934 0.589 Uiso 1 1 calc R U . . .
H54B H 0.477758 0.346844 0.368760 0.589 Uiso 1 1 calc R U . . .
C55 C 0.5030(19) 0.436(2) 0.3443(9) 0.49(2) Uani 1 1 d D U . . .
H55A H 0.543918 0.409365 0.336016 0.583 Uiso 1 1 calc R U . . .
H55B H 0.524141 0.470753 0.360680 0.583 Uiso 1 1 calc R U . . .
C56 C 0.4599(18) 0.473(2) 0.3151(10) 0.45(2) Uani 1 1 d D U . . .
H56A H 0.422374 0.441962 0.304148 0.543 Uiso 1 1 calc R U . . .
H56B H 0.434376 0.514515 0.323349 0.543 Uiso 1 1 calc R U . . .
C57 C 0.5131(19) 0.495(2) 0.2906(11) 0.42(2) Uani 1 1 d D U . . .
H57A H 0.547078 0.530359 0.301321 0.510 Uiso 1 1 calc R U . . .
H57B H 0.542942 0.454773 0.285063 0.510 Uiso 1 1 calc R U . . .
C58 C 0.478(2) 0.524(3) 0.2597(9) 0.46(2) Uani 1 1 d D U . . .
H58A H 0.515594 0.537488 0.244876 0.686 Uiso 1 1 calc R U . . .
H58B H 0.444976 0.489666 0.248537 0.686 Uiso 1 1 calc R U . . .
H58C H 0.449118 0.565337 0.264813 0.686 Uiso 1 1 calc R U . . .
F7_1 F -0.0835(5) 0.4948(5) 0.1829(3) 0.202(4) Uani 1 1 d D U . . .
F8_1 F 0.0082(7) 0.4663(5) 0.2156(3) 0.236(5) Uani 1 1 d D U . . .
F9_1 F -0.0736(7) 0.5362(7) 0.2269(3) 0.282(7) Uani 1 1 d D U . . .
F10_1 F -0.0584(7) 0.6025(7) 0.14195(18) 0.256(5) Uani 1 1 d D U . . .
F11_1 F -0.1076(6) 0.6345(8) 0.1842(3) 0.245(5) Uani 1 1 d D U . . .
F12_1 F -0.0109(10) 0.6879(6) 0.1696(4) 0.317(9) Uani 1 1 d D U . . .
F13_1 F 0.0392(7) 0.5042(6) 0.1539(2) 0.248(5) Uani 1 1 d D U . . .
F14_1 F 0.0994(8) 0.5960(7) 0.1572(4) 0.320(8) Uani 1 1 d D U . . .
F15_1 F 0.1191(7) 0.5229(10) 0.1953(3) 0.330(9) Uani 1 1 d D U . . .
O1_1 O 0.0316(3) 0.6135(3) 0.22272(11) 0.1065(15) Uani 1 1 d D U . . .
C47_1 C 0.0088(4) 0.5830(4) 0.19414(16) 0.113(2) Uani 1 1 d D U . . .
C48_1 C -0.0358(7) 0.5171(6) 0.2029(3) 0.165(4) Uani 1 1 d D U . . .
C49_1 C -0.0421(7) 0.6274(6) 0.1721(2) 0.168(4) Uani 1 1 d D U . . .
C50_1 C 0.0686(7) 0.5518(7) 0.1753(3) 0.180(4) Uani 1 1 d D U . . .
F7_3 F 0.2675(5) 0.4546(5) 0.2871(3) 0.237(5) Uani 1 1 d D U . . .
F8_3 F 0.1875(7) 0.4443(6) 0.2471(3) 0.253(5) Uani 1 1 d D U . . .
F9_3 F 0.2271(5) 0.5422(5) 0.2571(3) 0.248(6) Uani 1 1 d D U . . .
F10_3 F 0.2102(6) 0.4773(6) 0.3466(3) 0.236(5) Uani 1 1 d D U . . .
F11_3 F 0.1244(6) 0.5505(6) 0.3434(2) 0.216(4) Uani 1 1 d D U . . .
F12_3 F 0.2287(6) 0.5718(6) 0.3219(3) 0.257(6) Uani 1 1 d D U . . .
F13_3 F 0.1548(5) 0.3752(4) 0.3047(3) 0.218(4) Uani 1 1 d D U . . .
F14_3 F 0.0677(5) 0.4290(4) 0.3227(3) 0.189(3) Uani 1 1 d D U . . .
F15_3 F 0.0697(8) 0.4075(4) 0.2707(3) 0.247(5) Uani 1 1 d D U . . .
O1_3 O 0.0985(3) 0.5429(2) 0.27868(15) 0.1019(14) Uani 1 1 d D U . . .
C47_3 C 0.1478(4) 0.4971(3) 0.2939(2) 0.109(2) Uani 1 1 d D U . . .
C48_3 C 0.2121(6) 0.4860(6) 0.2726(3) 0.173(4) Uani 1 1 d D U . . .
C49_3 C 0.1774(6) 0.5242(6) 0.3276(3) 0.153(3) Uani 1 1 d D U . . .
C50_3 C 0.1090(6) 0.4287(4) 0.2981(3) 0.145(3) Uani 1 1 d D U . . .
F7_4 F -0.1676(11) 0.8686(12) 0.2330(7) 0.202(8) Uani 0.404(3) 1 d D U P B 1
F8_4 F -0.0715(10) 0.8579(10) 0.2645(6) 0.167(6) Uani 0.404(3) 1 d D U P B 1
F9_4 F -0.0900(11) 0.7832(15) 0.2262(6) 0.190(9) Uani 0.404(3) 1 d D U P B 1
F10_4 F -0.2343(12) 0.7489(14) 0.2177(3) 0.177(7) Uani 0.404(3) 1 d D U P B 1
F11_4 F -0.2659(9) 0.6960(11) 0.2623(5) 0.145(6) Uani 0.404(3) 1 d D U P B 1
F12_4 F -0.1711(9) 0.6685(8) 0.2391(4) 0.140(5) Uani 0.404(3) 1 d D U P B 1
F13_4 F -0.2687(13) 0.8391(13) 0.2684(6) 0.195(11) Uani 0.404(3) 1 d D U P B 1
F14_4 F -0.2395(12) 0.7811(12) 0.3138(5) 0.151(6) Uani 0.404(3) 1 d D U P B 1
F15_4 F -0.1783(10) 0.8699(10) 0.3027(7) 0.202(8) Uani 0.404(3) 1 d D U P B 1
O1_4 O -0.1166(12) 0.7372(11) 0.2912(4) 0.095(5) Uani 0.404(3) 1 d D U P B 1
C47_4 C -0.1641(7) 0.7715(7) 0.2694(3) 0.088(3) Uani 0.404(3) 1 d D U P B 1
C48_4 C -0.1247(9) 0.8214(9) 0.2473(5) 0.142(5) Uani 0.404(3) 1 d D U P B 1
C49_4 C -0.2116(8) 0.7229(8) 0.2467(4) 0.115(4) Uani 0.404(3) 1 d D U P B 1
C50_4 C -0.2131(9) 0.8158(9) 0.2899(5) 0.127(5) Uani 0.404(3) 1 d D U P B 1
F7_5 F 0.1738(16) 0.8311(13) 0.2214(8) 0.229(11) Uani 0.404(3) 1 d D U P B 1
F8_5 F 0.1349(16) 0.7376(12) 0.2018(5) 0.205(8) Uani 0.404(3) 1 d D U P B 1
F9_5 F 0.0708(12) 0.7925(17) 0.2345(9) 0.209(10) Uani 0.404(3) 1 d D U P B 1
F10_5 F 0.1816(13) 0.7311(13) 0.3169(5) 0.240(9) Uani 0.404(3) 1 d D U P B 1
F11_5 F 0.1352(14) 0.8281(10) 0.2837(6) 0.277(11) Uani 0.404(3) 1 d D U P B 1
F12_5 F 0.2421(15) 0.8088(17) 0.3022(8) 0.258(11) Uani 0.404(3) 1 d D U P B 1
F13_5 F 0.2877(9) 0.7825(9) 0.2515(7) 0.177(7) Uani 0.404(3) 1 d D U P B 1
F14_5 F 0.2896(7) 0.6905(10) 0.2805(5) 0.168(7) Uani 0.404(3) 1 d D U P B 1
F15_5 F 0.2547(11) 0.6861(11) 0.2268(5) 0.153(6) Uani 0.404(3) 1 d D U P B 1
O1_5 O 0.1399(14) 0.6753(11) 0.2631(7) 0.085(5) Uani 0.404(3) 1 d D U P B 1
C47_5 C 0.1740(8) 0.7355(8) 0.2602(4) 0.102(4) Uani 0.404(3) 1 d D U P B 1
C48_5 C 0.1399(12) 0.7765(11) 0.2305(5) 0.169(7) Uani 0.404(3) 1 d D U P B 1
C49_5 C 0.1796(13) 0.7762(11) 0.2925(5) 0.181(7) Uani 0.404(3) 1 d D U P B 1
C50_5 C 0.2550(8) 0.7213(8) 0.2544(5) 0.132(5) Uani 0.404(3) 1 d D U P B 1
F7_6 F -0.2436(11) 0.5272(9) 0.3624(5) 0.173(6) Uani 0.404(3) 1 d D U P B 1
F8_6 F -0.1312(9) 0.5694(10) 0.3780(3) 0.160(5) Uani 0.404(3) 1 d D U P B 1
F9_6 F -0.2100(10) 0.6314(8) 0.3528(6) 0.173(7) Uani 0.404(3) 1 d D U P B 1
F10_6 F -0.2364(10) 0.4484(9) 0.3099(4) 0.169(6) Uani 0.404(3) 1 d D U P B 1
F11_6 F -0.2748(11) 0.5530(14) 0.2955(8) 0.245(10) Uani 0.404(3) 1 d D U P B 1
F12_6 F -0.1993(13) 0.4991(13) 0.2682(4) 0.191(8) Uani 0.404(3) 1 d D U P B 1
F13_6 F -0.1125(11) 0.4503(9) 0.3546(5) 0.187(7) Uani 0.404(3) 1 d D U P B 1
F14_6 F -0.0996(16) 0.4520(12) 0.3027(6) 0.204(8) Uani 0.404(3) 1 d D U P B 1
F15_6 F -0.0398(7) 0.5247(8) 0.3397(5) 0.141(5) Uani 0.404(3) 1 d D U P B 1
O1_6 O -0.1307(8) 0.5987(8) 0.3057(3) 0.080(3) Uani 0.404(3) 1 d D U P B 1
C47_6 C -0.1604(7) 0.5452(7) 0.3214(3) 0.088(3) Uani 0.404(3) 1 d D U P B 1
C48_6 C -0.1901(9) 0.5656(9) 0.3544(4) 0.129(4) Uani 0.404(3) 1 d D U P B 1
C49_6 C -0.2189(9) 0.5095(9) 0.2988(4) 0.146(5) Uani 0.404(3) 1 d D U P B 1
C50_6 C -0.0996(9) 0.4916(9) 0.3290(5) 0.142(5) Uani 0.404(3) 1 d D U P B 1
F7_7 F 0.6994(13) 0.6135(16) 0.5089(6) 0.231(10) Uani 0.404(3) 1 d D U P B 1
F8_7 F 0.6457(14) 0.7069(11) 0.5005(6) 0.163(8) Uani 0.404(3) 1 d D U P B 1
F9_7 F 0.5861(14) 0.6064(14) 0.4984(6) 0.204(8) Uani 0.404(3) 1 d D U P B 1
F10_7 F 0.6893(14) 0.5246(11) 0.4648(5) 0.198(8) Uani 0.404(3) 1 d D U P B 1
F11_7 F 0.6717(15) 0.5605(14) 0.4129(5) 0.195(9) Uani 0.404(3) 1 d D U P B 1
F12_7 F 0.5819(13) 0.5366(15) 0.4432(8) 0.206(9) Uani 0.404(3) 1 d D U P B 1
F13_7 F 0.7799(11) 0.6113(14) 0.4555(7) 0.234(10) Uani 0.404(3) 1 d D U P B 1
F14_7 F 0.7332(11) 0.6699(12) 0.4156(5) 0.160(7) Uani 0.404(3) 1 d D U P B 1
F15_7 F 0.7462(11) 0.7157(13) 0.4664(7) 0.223(10) Uani 0.404(3) 1 d D U P B 1
O1_7 O 0.6032(11) 0.6819(9) 0.4354(6) 0.101(5) Uani 0.404(3) 1 d D U P B 1
C47_7 C 0.6515(8) 0.6386(8) 0.4533(4) 0.113(4) Uani 0.404(3) 1 d D U P B 1
C48_7 C 0.6461(11) 0.6418(11) 0.4907(4) 0.146(5) Uani 0.404(3) 1 d D U P B 1
C49_7 C 0.6491(11) 0.5629(8) 0.4434(5) 0.151(5) Uani 0.404(3) 1 d D U P B 1
C50_7 C 0.7308(9) 0.6623(10) 0.4475(5) 0.144(6) Uani 0.404(3) 1 d D U P B 1
F7_8 F 0.4941(4) 0.8891(5) 0.5693(2) 0.189(4) Uani 1 1 d D U . . .
F8_8 F 0.5546(4) 0.8450(5) 0.5325(3) 0.194(4) Uani 1 1 d D U . . .
F9_8 F 0.4709(5) 0.9126(5) 0.5180(3) 0.231(5) Uani 1 1 d D U . . .
F10_8 F 0.3367(4) 0.8836(4) 0.52618(17) 0.166(3) Uani 1 1 d D U . . .
F11_8 F 0.3564(4) 0.8461(4) 0.57491(14) 0.148(2) Uani 1 1 d D U . . .
F12_8 F 0.3085(3) 0.7833(4) 0.5373(3) 0.205(4) Uani 1 1 d D U . . .
F13_8 F 0.4680(6) 0.7624(5) 0.58925(14) 0.207(4) Uani 1 1 d D U . . .
F14_8 F 0.4153(5) 0.6932(4) 0.5550(3) 0.206(4) Uani 1 1 d D U . . .
F15_8 F 0.5258(4) 0.7233(5) 0.55224(19) 0.188(4) Uani 1 1 d D U . . .
O1_8 O 0.4303(3) 0.7802(3) 0.50310(11) 0.1136(18) Uani 1 1 d D U . . .
C47_8 C 0.4339(3) 0.8041(3) 0.53467(13) 0.0835(14) Uani 1 1 d D U . . .
C48_8 C 0.4880(4) 0.8645(5) 0.5394(2) 0.121(2) Uani 1 1 d D U . . .
C49_8 C 0.3592(4) 0.8295(4) 0.54358(19) 0.105(2) Uani 1 1 d D U . . .
C50_8 C 0.4616(5) 0.7448(4) 0.55781(19) 0.112(2) Uani 1 1 d D U . . .
F7_9 F 0.4692(10) 0.7682(12) 0.2968(3) 0.156(6) Uani 0.404(3) 1 d D U P B 1
F8_9 F 0.4596(12) 0.8383(10) 0.3365(4) 0.145(7) Uani 0.404(3) 1 d D U P B 1
F9_9 F 0.5635(11) 0.8229(10) 0.3189(6) 0.161(6) Uani 0.404(3) 1 d D U P B 1
F10_9 F 0.5641(15) 0.6237(10) 0.3445(8) 0.158(8) Uani 0.404(3) 1 d D U P B 1
F11_9 F 0.5897(18) 0.698(2) 0.3050(5) 0.148(10) Uani 0.404(3) 1 d D U P B 1
F12_9 F 0.6448(11) 0.7033(14) 0.3537(7) 0.138(7) Uani 0.404(3) 1 d D U P B 1
F13_9 F 0.4477(15) 0.6415(13) 0.3228(6) 0.211(9) Uani 0.404(3) 1 d D U P B 1
F14_9 F 0.4622(12) 0.6418(12) 0.3753(6) 0.200(9) Uani 0.404(3) 1 d D U P B 1
F15_9 F 0.3923(9) 0.7175(13) 0.3474(6) 0.178(8) Uani 0.404(3) 1 d D U P B 1
O1_9 O 0.5368(13) 0.7550(14) 0.3804(3) 0.104(6) Uani 0.404(3) 1 d D U P B 1
C47_9 C 0.5200(8) 0.7319(8) 0.3492(3) 0.091(4) Uani 0.404(3) 1 d D U P B 1
C48_9 C 0.5013(10) 0.7903(8) 0.3247(4) 0.115(4) Uani 0.404(3) 1 d D U P B 1
C49_9 C 0.5815(10) 0.6887(11) 0.3370(5) 0.100(5) Uani 0.404(3) 1 d D U P B 1
C50_9 C 0.4536(9) 0.6833(10) 0.3496(5) 0.132(5) Uani 0.404(3) 1 d D U P B 1
F7_10 F 0.1870(9) 0.9111(13) 0.4220(7) 0.212(8) Uani 0.404(3) 1 d D U P B 1
F8_10 F 0.2172(12) 0.8098(13) 0.4180(9) 0.247(12) Uani 0.404(3) 1 d D U P B 1
F9_10 F 0.2372(11) 0.8555(17) 0.4646(5) 0.218(9) Uani 0.404(3) 1 d D U P B 1
F10_10 F 0.2912(16) 1.0047(8) 0.4188(6) 0.207(9) Uani 0.404(3) 1 d D U P B 1
F11_10 F 0.4034(11) 0.9774(13) 0.4368(8) 0.200(9) Uani 0.404(3) 1 d D U P B 1
F12_10 F 0.3258(17) 0.9715(13) 0.4689(5) 0.199(10) Uani 0.404(3) 1 d D U P B 1
F13_10 F 0.2847(19) 0.9296(16) 0.3720(7) 0.227(12) Uani 0.404(3) 1 d D U P B 1
F14_10 F 0.3964(13) 0.8916(15) 0.3834(6) 0.210(8) Uani 0.404(3) 1 d D U P B 1
F15_10 F 0.3045(19) 0.8222(12) 0.3780(6) 0.212(10) Uani 0.404(3) 1 d D U P B 1
O1_10 O 0.3625(10) 0.8402(9) 0.4413(5) 0.091(5) Uani 0.404(3) 1 d D U P B 1
C47_10 C 0.3180(7) 0.8881(7) 0.4265(4) 0.086(4) Uani 0.404(3) 1 d D U P B 1
C48_10 C 0.2379(8) 0.8711(11) 0.4324(5) 0.148(6) Uani 0.404(3) 1 d D U P B 1
C49_10 C 0.3346(11) 0.9612(7) 0.4370(5) 0.130(5) Uani 0.404(3) 1 d D U P B 1
C50_10 C 0.3275(12) 0.8831(10) 0.3889(4) 0.135(5) Uani 0.404(3) 1 d D U P B 1
F7_11 F 0.3718(14) 0.5316(10) 0.4701(8) 0.210(9) Uani 0.404(3) 1 d D U P B 1
F8_11 F 0.4236(15) 0.5790(12) 0.4326(6) 0.225(9) Uani 0.404(3) 1 d D U P B 1
F9_11 F 0.4400(12) 0.6212(11) 0.4799(7) 0.224(9) Uani 0.404(3) 1 d D U P B 1
F10_11 F 0.2335(13) 0.5725(12) 0.4770(6) 0.205(8) Uani 0.404(3) 1 d D U P B 1
F11_11 F 0.2191(15) 0.6833(15) 0.4754(9) 0.239(11) Uani 0.404(3) 1 d D U P B 1
F12_11 F 0.3029(12) 0.6300(12) 0.5067(4) 0.160(6) Uani 0.404(3) 1 d D U P B 1
F13_11 F 0.3552(14) 0.6272(14) 0.4003(6) 0.200(9) Uani 0.404(3) 1 d D U P B 1
F14_11 F 0.2781(9) 0.5555(9) 0.4146(5) 0.155(6) Uani 0.404(3) 1 d D U P B 1
F15_11 F 0.2454(15) 0.6678(14) 0.4049(8) 0.217(11) Uani 0.404(3) 1 d D U P B 1
O1_11 O 0.3524(11) 0.7041(7) 0.4485(6) 0.099(5) Uani 0.404(3) 1 d D U P B 1
C47_11 C 0.3233(8) 0.6406(7) 0.4520(4) 0.106(4) Uani 0.404(3) 1 d D U P B 1
C48_11 C 0.3884(10) 0.5911(10) 0.4601(5) 0.153(6) Uani 0.404(3) 1 d D U P B 1
C49_11 C 0.2678(9) 0.6328(9) 0.4768(5) 0.132(5) Uani 0.404(3) 1 d D U P B 1
C50_11 C 0.2933(10) 0.6219(10) 0.4161(4) 0.147(6) Uani 0.404(3) 1 d D U P B 1
F7_12 F 0.7247(12) 0.9269(15) 0.4797(7) 0.167(8) Uani 0.404(3) 1 d D U P B 1
F8_12 F 0.6089(12) 0.9522(8) 0.4704(7) 0.162(8) Uani 0.404(3) 1 d D U P B 1
F9_12 F 0.6437(12) 0.8505(10) 0.4854(4) 0.151(6) Uani 0.404(3) 1 d D U P B 1
F10_12 F 0.7588(12) 0.9168(11) 0.4056(6) 0.191(8) Uani 0.404(3) 1 d D U P B 1
F11_12 F 0.7250(11) 0.8064(8) 0.4001(5) 0.133(6) Uani 0.404(3) 1 d D U P B 1
F12_12 F 0.7773(12) 0.8456(17) 0.4443(6) 0.212(9) Uani 0.404(3) 1 d D U P B 1
F13_12 F 0.6460(17) 0.9922(9) 0.4096(6) 0.199(8) Uani 0.404(3) 1 d D U P B 1
F14_12 F 0.6175(12) 0.9095(11) 0.3775(4) 0.175(7) Uani 0.404(3) 1 d D U P B 1
F15_12 F 0.5475(11) 0.9343(13) 0.4177(7) 0.244(11) Uani 0.404(3) 1 d D U P B 1
O1_12 O 0.6161(7) 0.8220(7) 0.4351(4) 0.092(4) Uani 0.404(3) 1 d D U P B 1
C47_12 C 0.6567(7) 0.8789(7) 0.4316(3) 0.080(3) Uani 0.404(3) 1 d D U P B 1
C48_12 C 0.6632(10) 0.9049(9) 0.4678(4) 0.117(5) Uani 0.404(3) 1 d D U P B 1
C49_12 C 0.7300(8) 0.8625(9) 0.4187(5) 0.109(5) Uani 0.404(3) 1 d D U P B 1
C50_12 C 0.6136(10) 0.9299(10) 0.4084(5) 0.138(5) Uani 0.404(3) 1 d D U P B 1
F7_13 F 0.7164(10) 0.9568(9) 0.4712(5) 0.179(7) Uani 0.596(3) 1 d D U P B 2
F8_13 F 0.6065(10) 0.9268(12) 0.4766(5) 0.201(8) Uani 0.596(3) 1 d D U P B 2
F9_13 F 0.6947(10) 0.8545(10) 0.4857(4) 0.199(7) Uani 0.596(3) 1 d D U P B 2
F10_13 F 0.7305(9) 0.8382(11) 0.3897(4) 0.192(7) Uani 0.596(3) 1 d D U P B 2
F11_13 F 0.7544(5) 0.8023(5) 0.4428(4) 0.161(5) Uani 0.596(3) 1 d D U P B 2
F12_13 F 0.7889(4) 0.8950(5) 0.4250(3) 0.114(3) Uani 0.596(3) 1 d D U P B 2
F13_13 F 0.6937(4) 1.0002(4) 0.4199(4) 0.137(4) Uani 0.596(3) 1 d D U P B 2
F14_13 F 0.6616(11) 0.9341(9) 0.3788(3) 0.196(6) Uani 0.596(3) 1 d D U P B 2
F15_13 F 0.5813(5) 0.9749(5) 0.4098(4) 0.159(4) Uani 0.596(3) 1 d D U P B 2
O1_13 O 0.6031(4) 0.8397(4) 0.4213(3) 0.078(2) Uani 0.596(3) 1 d D U P B 2
C47_13 C 0.6596(5) 0.8825(5) 0.4299(3) 0.078(3) Uani 0.596(3) 1 d D U P B 2
C48_13 C 0.6717(8) 0.9052(8) 0.4663(3) 0.125(4) Uani 0.596(3) 1 d D U P B 2
C49_13 C 0.7327(6) 0.8514(7) 0.4211(4) 0.113(4) Uani 0.596(3) 1 d D U P B 2
C50_13 C 0.6461(6) 0.9497(5) 0.4097(3) 0.105(3) Uani 0.596(3) 1 d D U P B 2
F7_14 F 0.5167(10) 0.8152(8) 0.3014(2) 0.160(5) Uani 0.596(3) 1 d D U P B 2
F8_14 F 0.4979(9) 0.8581(7) 0.3483(3) 0.157(5) Uani 0.596(3) 1 d D U P B 2
F9_14 F 0.6064(7) 0.8286(6) 0.3390(3) 0.146(4) Uani 0.596(3) 1 d D U P B 2
F10_14 F 0.6069(11) 0.6933(13) 0.3102(4) 0.130(5) Uani 0.596(3) 1 d D U P B 2
F11_14 F 0.6518(7) 0.7229(9) 0.3598(4) 0.127(5) Uani 0.596(3) 1 d D U P B 2
F12_14 F 0.5903(8) 0.6310(7) 0.3524(5) 0.139(5) Uani 0.596(3) 1 d D U P B 2
F13_14 F 0.4594(5) 0.6888(9) 0.3010(2) 0.153(4) Uani 0.596(3) 1 d D U P B 2
F14_14 F 0.4311(8) 0.6538(8) 0.3486(4) 0.182(5) Uani 0.596(3) 1 d D U P B 2
F15_14 F 0.4011(6) 0.7572(9) 0.3313(3) 0.182(6) Uani 0.596(3) 1 d D U P B 2
O1_14 O 0.5184(7) 0.7426(9) 0.3825(2) 0.083(3) Uani 0.596(3) 1 d D U P B 2
C47_14 C 0.5259(6) 0.7384(6) 0.3487(3) 0.087(3) Uani 0.596(3) 1 d D U P B 2
C48_14 C 0.5362(8) 0.8108(6) 0.3335(3) 0.116(3) Uani 0.596(3) 1 d D U P B 2
C49_14 C 0.5933(8) 0.6974(8) 0.3421(4) 0.103(4) Uani 0.596(3) 1 d D U P B 2
C50_14 C 0.4535(6) 0.7097(8) 0.3326(3) 0.121(4) Uani 0.596(3) 1 d D U P B 2
F7_15 F 0.2284(6) 0.9691(7) 0.4184(2) 0.143(4) Uani 0.596(3) 1 d D U P B 2
F8_15 F 0.2174(5) 0.8907(6) 0.4545(3) 0.141(4) Uani 0.596(3) 1 d D U P B 2
F9_15 F 0.2867(8) 0.9729(9) 0.4661(3) 0.160(5) Uani 0.596(3) 1 d D U P B 2
F10_15 F 0.3729(6) 1.0037(4) 0.4132(3) 0.131(3) Uani 0.596(3) 1 d D U P B 2
F11_15 F 0.4418(5) 0.9124(6) 0.4059(3) 0.154(4) Uani 0.596(3) 1 d D U P B 2
F12_15 F 0.4295(7) 0.9532(8) 0.4546(3) 0.172(6) Uani 0.596(3) 1 d D U P B 2
F13_15 F 0.2382(7) 0.8385(7) 0.3937(4) 0.169(5) Uani 0.596(3) 1 d D U P B 2
F14_15 F 0.3134(8) 0.9113(8) 0.3703(3) 0.147(4) Uani 0.596(3) 1 d D U P B 2
F15_15 F 0.3515(7) 0.8132(6) 0.3873(3) 0.137(4) Uani 0.596(3) 1 d D U P B 2
O1_15 O 0.3499(6) 0.8421(6) 0.4504(3) 0.072(2) Uani 0.596(3) 1 d D U P B 2
C47_15 C 0.3304(5) 0.8935(4) 0.4286(2) 0.066(2) Uani 0.596(3) 1 d D U P B 2
C48_15 C 0.2646(6) 0.9303(6) 0.4408(3) 0.105(3) Uani 0.596(3) 1 d D U P B 2
C49_15 C 0.3937(6) 0.9430(6) 0.4253(3) 0.109(3) Uani 0.596(3) 1 d D U P B 2
C50_15 C 0.3061(7) 0.8637(7) 0.3939(3) 0.110(3) Uani 0.596(3) 1 d D U P B 2
F7_16 F 0.3481(10) 0.5835(8) 0.4064(5) 0.207(7) Uani 0.596(3) 1 d D U P B 2
F8_16 F 0.2301(9) 0.5943(11) 0.4088(4) 0.209(7) Uani 0.596(3) 1 d D U P B 2
F9_16 F 0.2853(12) 0.6780(9) 0.3948(4) 0.190(7) Uani 0.596(3) 1 d D U P B 2
F10_16 F 0.2850(6) 0.5360(4) 0.4700(4) 0.173(5) Uani 0.596(3) 1 d D U P B 2
F11_16 F 0.3539(11) 0.6028(7) 0.5044(3) 0.194(6) Uani 0.596(3) 1 d D U P B 2
F12_16 F 0.3941(5) 0.5559(6) 0.4637(4) 0.163(4) Uani 0.596(3) 1 d D U P B 2
F13_16 F 0.2192(5) 0.7323(4) 0.4471(4) 0.191(6) Uani 0.596(3) 1 d D U P B 2
F14_16 F 0.1862(4) 0.6329(5) 0.4579(3) 0.141(4) Uani 0.596(3) 1 d D U P B 2
F15_16 F 0.2492(8) 0.6943(13) 0.4948(4) 0.256(8) Uani 0.596(3) 1 d D U P B 2
O1_16 O 0.3668(7) 0.6936(5) 0.4563(5) 0.101(4) Uani 0.596(3) 1 d D U P B 2
C47_16 C 0.3108(5) 0.6471(5) 0.4515(3) 0.083(2) Uani 0.596(3) 1 d D U P B 2
C48_16 C 0.2974(8) 0.6257(8) 0.4150(3) 0.136(4) Uani 0.596(3) 1 d D U P B 2
C49_16 C 0.3340(6) 0.5854(5) 0.4731(3) 0.121(3) Uani 0.596(3) 1 d D U P B 2
C50_16 C 0.2406(5) 0.6761(6) 0.4638(3) 0.114(3) Uani 0.596(3) 1 d D U P B 2
F7_17 F 0.6430(10) 0.6023(8) 0.5101(3) 0.173(6) Uani 0.596(3) 1 d D U P B 2
F8_17 F 0.6202(9) 0.7103(7) 0.4998(5) 0.149(5) Uani 0.596(3) 1 d D U P B 2
F9_17 F 0.5324(5) 0.6372(5) 0.4873(2) 0.126(3) Uani 0.596(3) 1 d D U P B 2
F10_17 F 0.5866(9) 0.5286(9) 0.4599(5) 0.195(8) Uani 0.596(3) 1 d D U P B 2
F11_17 F 0.6250(9) 0.5603(9) 0.4092(4) 0.172(5) Uani 0.596(3) 1 d D U P B 2
F12_17 F 0.5250(5) 0.5985(6) 0.4278(3) 0.156(4) Uani 0.596(3) 1 d D U P B 2
F13_17 F 0.7333(6) 0.5618(5) 0.4622(4) 0.148(4) Uani 0.596(3) 1 d D U P B 2
F14_17 F 0.7412(6) 0.6387(6) 0.4259(3) 0.132(4) Uani 0.596(3) 1 d D U P B 2
F15_17 F 0.7502(7) 0.6686(6) 0.4789(3) 0.161(4) Uani 0.596(3) 1 d D U P B 2
O1_17 O 0.6196(7) 0.7007(6) 0.4385(5) 0.096(4) Uani 0.596(3) 1 d D U P B 2
C47_17 C 0.6335(5) 0.6395(5) 0.4543(3) 0.092(3) Uani 0.596(3) 1 d D U P B 2
C48_17 C 0.6065(7) 0.6452(8) 0.4893(3) 0.130(4) Uani 0.596(3) 1 d D U P B 2
C49_17 C 0.5921(7) 0.5790(7) 0.4370(4) 0.139(4) Uani 0.596(3) 1 d D U P B 2
C50_17 C 0.7152(6) 0.6271(6) 0.4549(3) 0.121(3) Uani 0.596(3) 1 d D U P B 2
F7_18 F -0.1604(8) 0.5119(8) 0.3723(3) 0.170(4) Uani 0.596(3) 1 d D U P B 2
F8_18 F -0.1618(11) 0.4300(5) 0.3337(4) 0.191(5) Uani 0.596(3) 1 d D U P B 2
F9_18 F -0.0648(8) 0.4843(10) 0.3466(4) 0.193(6) Uani 0.596(3) 1 d D U P B 2
F10_18 F -0.2473(7) 0.6086(8) 0.3423(4) 0.184(5) Uani 0.596(3) 1 d D U P B 2
F11_18 F -0.2800(9) 0.5881(11) 0.2946(4) 0.233(8) Uani 0.596(3) 1 d D U P B 2
F12_18 F -0.2770(7) 0.5065(9) 0.3280(7) 0.249(8) Uani 0.596(3) 1 d D U P B 2
F13_18 F -0.1948(12) 0.4637(8) 0.2733(5) 0.228(8) Uani 0.596(3) 1 d D U P B 2
F14_18 F -0.1686(8) 0.5642(6) 0.2607(3) 0.222(7) Uani 0.596(3) 1 d D U P B 2
F15_18 F -0.0890(10) 0.4764(8) 0.2862(3) 0.223(8) Uani 0.596(3) 1 d D U P B 2
O1_18 O -0.1162(6) 0.5996(5) 0.3182(3) 0.087(3) Uani 0.596(3) 1 d D U P B 2
C47_18 C -0.1613(5) 0.5447(5) 0.3163(3) 0.082(2) Uani 0.596(3) 1 d D U P B 2
C48_18 C -0.1356(8) 0.4945(7) 0.3443(3) 0.136(4) Uani 0.596(3) 1 d D U P B 2
C49_18 C -0.2405(6) 0.5614(7) 0.3197(4) 0.142(4) Uani 0.596(3) 1 d D U P B 2
C50_18 C -0.1473(8) 0.5137(7) 0.2816(3) 0.131(4) Uani 0.596(3) 1 d D U P B 2
F7_19 F 0.1536(8) 0.8546(5) 0.2496(5) 0.169(5) Uani 0.596(3) 1 d D U P B 2
F8_19 F 0.1404(16) 0.7795(10) 0.2107(4) 0.246(8) Uani 0.596(3) 1 d D U P B 2
F9_19 F 0.0636(7) 0.7857(10) 0.2494(6) 0.195(8) Uani 0.596(3) 1 d D U P B 2
F10_19 F 0.1817(12) 0.8077(10) 0.3101(4) 0.221(7) Uani 0.596(3) 1 d D U P B 2
F11_19 F 0.2741(8) 0.8090(10) 0.2782(5) 0.205(7) Uani 0.596(3) 1 d D U P B 2
F12_19 F 0.2449(8) 0.7248(8) 0.3121(4) 0.191(6) Uani 0.596(3) 1 d D U P B 2
F13_19 F 0.2612(9) 0.7589(9) 0.2180(4) 0.209(6) Uani 0.596(3) 1 d D U P B 2
F14_19 F 0.2888(9) 0.6778(10) 0.2531(6) 0.225(7) Uani 0.596(3) 1 d D U P B 2
F15_19 F 0.2047(10) 0.6629(9) 0.2147(5) 0.237(9) Uani 0.596(3) 1 d D U P B 2
O1_19 O 0.1327(10) 0.6858(8) 0.2685(5) 0.093(4) Uani 0.596(3) 1 d D U P B 2
C47_19 C 0.1781(6) 0.7355(6) 0.2607(3) 0.106(3) Uani 0.596(3) 1 d D U P B 2
C48_19 C 0.1316(8) 0.7940(6) 0.2434(4) 0.135(4) Uani 0.596(3) 1 d D U P B 2
C49_19 C 0.2202(8) 0.7699(8) 0.2901(4) 0.147(4) Uani 0.596(3) 1 d D U P B 2
C50_19 C 0.2323(8) 0.7095(8) 0.2359(4) 0.164(5) Uani 0.596(3) 1 d D U P B 2
F7_20 F -0.1464(9) 0.9032(6) 0.2619(5) 0.194(6) Uani 0.596(3) 1 d D U P B 2
F8_20 F -0.1231(11) 0.8624(9) 0.3130(4) 0.221(7) Uani 0.596(3) 1 d D U P B 2
F9_20 F -0.0492(7) 0.8385(8) 0.2766(5) 0.190(6) Uani 0.596(3) 1 d D U P B 2
F10_20 F -0.2307(9) 0.8202(10) 0.2224(4) 0.209(7) Uani 0.596(3) 1 d D U P B 2
F11_20 F -0.1920(9) 0.7178(8) 0.2225(4) 0.174(5) Uani 0.596(3) 1 d D U P B 2
F12_20 F -0.1142(10) 0.8052(12) 0.2201(4) 0.210(8) Uani 0.596(3) 1 d D U P B 2
F13_20 F -0.2676(10) 0.8413(9) 0.2865(5) 0.201(7) Uani 0.596(3) 1 d D U P B 2
F14_20 F -0.2781(9) 0.7385(10) 0.2693(5) 0.203(7) Uani 0.596(3) 1 d D U P B 2
F15_20 F -0.2224(8) 0.7576(9) 0.3178(4) 0.148(5) Uani 0.596(3) 1 d D U P B 2
O1_20 O -0.1182(10) 0.7269(8) 0.2802(3) 0.103(4) Uani 0.596(3) 1 d D U P B 2
C47_20 C -0.1599(6) 0.7826(6) 0.2706(3) 0.094(3) Uani 0.596(3) 1 d D U P B 2
C48_20 C -0.1192(8) 0.8512(7) 0.2792(4) 0.154(5) Uani 0.596(3) 1 d D U P B 2
C49_20 C -0.1742(8) 0.7811(8) 0.2328(3) 0.146(4) Uani 0.596(3) 1 d D U P B 2
C50_20 C -0.2320(7) 0.7812(8) 0.2870(4) 0.136(4) Uani 0.596(3) 1 d D U P B 2
F7_21 F 0.0491(10) 0.6802(11) 0.4218(4) 0.196(6) Uani 0.596(3) 1 d D U P B 2
F8_21 F 0.0459(10) 0.6269(7) 0.3757(5) 0.205(6) Uani 0.596(3) 1 d D U P B 2
F9_21 F 0.1064(7) 0.7220(11) 0.3816(5) 0.218(8) Uani 0.596(3) 1 d D U P B 2
F10_21 F 0.0226(12) 0.8117(9) 0.4133(3) 0.222(7) Uani 0.596(3) 1 d D U P B 2
F11_21 F 0.0275(11) 0.8302(6) 0.3607(4) 0.193(6) Uani 0.596(3) 1 d D U P B 2
F12_21 F -0.0760(11) 0.8352(9) 0.3816(7) 0.258(9) Uani 0.596(3) 1 d D U P B 2
F13_21 F -0.0792(9) 0.6312(6) 0.3973(3) 0.181(5) Uani 0.596(3) 1 d D U P B 2
F14_21 F -0.0869(9) 0.7280(9) 0.4237(2) 0.196(6) Uani 0.596(3) 1 d D U P B 2
F15_21 F -0.1508(6) 0.7149(10) 0.3777(3) 0.176(6) Uani 0.596(3) 1 d D U P B 2
O1_21 O -0.0364(6) 0.7156(5) 0.3422(2) 0.084(2) Uani 0.596(3) 1 d D U P B 2
C47_21 C -0.0228(6) 0.7271(5) 0.3752(3) 0.087(3) Uani 0.596(3) 1 d D U P B 2
C48_21 C 0.0468(7) 0.6897(8) 0.3899(4) 0.143(4) Uani 0.596(3) 1 d D U P B 2
C49_21 C -0.0123(9) 0.8025(6) 0.3837(3) 0.146(4) Uani 0.596(3) 1 d D U P B 2
C50_21 C -0.0877(7) 0.7011(8) 0.3944(3) 0.135(4) Uani 0.596(3) 1 d D U P B 2
F7_2 F 0.0539(12) 0.7251(10) 0.4245(4) 0.159(7) Uani 0.404(3) 1 d D U P B 1
F8_2 F -0.0505(10) 0.6745(10) 0.4183(4) 0.147(5) Uani 0.404(3) 1 d D U P B 1
F9_2 F 0.0438(9) 0.6294(7) 0.3990(3) 0.116(4) Uani 0.404(3) 1 d D U P B 1
F10_2 F 0.0816(10) 0.8146(9) 0.3764(5) 0.159(6) Uani 0.404(3) 1 d D U P B 1
F11_2 F 0.1129(8) 0.7138(11) 0.3601(6) 0.172(7) Uani 0.404(3) 1 d D U P B 1
F12_2 F 0.0434(7) 0.7843(6) 0.3282(3) 0.124(4) Uani 0.404(3) 1 d D U P B 1
F13_2 F -0.0500(13) 0.8143(11) 0.4080(4) 0.183(8) Uani 0.404(3) 1 d D U P B 1
F14_2 F -0.0638(11) 0.8350(6) 0.3547(4) 0.149(6) Uani 0.404(3) 1 d D U P B 1
F15_2 F -0.1308(8) 0.7638(10) 0.3792(5) 0.153(6) Uani 0.404(3) 1 d D U P B 1
O1_2 O -0.0377(8) 0.6837(6) 0.3479(3) 0.067(3) Uani 0.404(3) 1 d D U P B 1
C47_2 C -0.0092(6) 0.7284(6) 0.3714(3) 0.073(3) Uani 0.404(3) 1 d D U P B 1
C48_2 C 0.0122(9) 0.6882(8) 0.4035(3) 0.114(4) Uani 0.404(3) 1 d D U P B 1
C49_2 C 0.0596(7) 0.7615(8) 0.3590(4) 0.114(4) Uani 0.404(3) 1 d D U P B 1
C50_2 C -0.0636(8) 0.7848(7) 0.3778(4) 0.113(4) Uani 0.404(3) 1 d D U P B 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-7 -6 17 0.0534
-9 3 -13 0.0761
5 -5 20 0.0618
12 1 2 0.0691
7 6 -18 0.0767
-5 11 -1 0.0701
-5 0 25 0.0531
5 -11 5 0.0542
7 -9 -13 0.0619
-1 9 -17 0.0764
4 0 -25 0.0953
3 12 4 0.0570
3 9 18 0.0428
-3 -10 -12 0.0473
-3 -12 1 0.0393
0 -6 23 0.0620
-2 12 6 0.0557
-2 6 23 0.0489
2 -12 -9 0.0481
-8 -9 0 0.0472
-8 -6 -13 0.0588
8 9 2 0.0575
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
F1 Dy1 F2 74.86(13) . . ?
F1 Dy1 F5 78.68(15) . . ?
F1 Dy1 F6 73.96(12) . . ?
F1 Dy1 C1 151.89(16) . . ?
F1 Dy1 C2 148.59(16) . . ?
F1 Dy1 C3 149.94(16) . . ?
F1 Dy1 C4 153.86(16) . . ?
F1 Dy1 C5 155.86(16) . . ?
F2 Dy1 F5 134.78(13) . . ?
F2 Dy1 C1 110.67(17) . . ?
F2 Dy1 C2 80.28(16) . . ?
F2 Dy1 C3 78.02(14) . . ?
F2 Dy1 C4 106.33(15) . . ?
F2 Dy1 C5 129.26(14) . . ?
F3 Dy1 F1 76.97(15) . . ?
F3 Dy1 F2 70.49(14) . . ?
F3 Dy1 F5 136.80(16) . . ?
F3 Dy1 F6 134.36(15) . . ?
F3 Dy1 C1 131.14(16) . . ?
F3 Dy1 C2 112.43(17) . . ?
F3 Dy1 C3 82.01(16) . . ?
F3 Dy1 C4 78.95(17) . . ?
F3 Dy1 C5 107.97(18) . . ?
F4 Dy1 F1 77.05(15) . . ?
F4 Dy1 F2 136.12(15) . . ?
F4 Dy1 F3 70.78(18) . . ?
F4 Dy1 F5 69.30(16) . . ?
F4 Dy1 F6 133.04(14) . . ?
F4 Dy1 C1 110.1(2) . . ?
F4 Dy1 C2 134.21(18) . . ?
F4 Dy1 C3 115.83(17) . . ?
F4 Dy1 C4 85.58(17) . . ?
F4 Dy1 C5 82.32(18) . . ?
F5 Dy1 C1 78.80(17) . . ?
F5 Dy1 C2 106.98(17) . . ?
F5 Dy1 C3 130.71(16) . . ?
F5 Dy1 C4 113.39(18) . . ?
F5 Dy1 C5 82.41(16) . . ?
F6 Dy1 F2 68.43(12) . . ?
F6 Dy1 F5 69.35(13) . . ?
F6 Dy1 C1 82.48(16) . . ?
F6 Dy1 C2 79.27(15) . . ?
F6 Dy1 C3 107.66(15) . . ?
F6 Dy1 C4 131.44(14) . . ?
F6 Dy1 C5 113.01(17) . . ?
C1 Dy1 C3 52.71(17) . . ?
C1 Dy1 C4 53.19(18) . . ?
C1 Dy1 C5 31.8(2) . . ?
C2 Dy1 C1 31.8(2) . . ?
C2 Dy1 C3 31.94(17) . . ?
C2 Dy1 C4 52.89(17) . . ?
C2 Dy1 C5 52.55(19) . . ?
C3 Dy1 C4 31.54(18) . . ?
C5 Dy1 C3 52.44(17) . . ?
C5 Dy1 C4 32.28(19) . . ?
O1_4 Al1 F7 110.9(9) . . ?
O1_4 Al1 O1_6 110.5(11) . . ?
O1_4 Al1 O1_2 115.3(8) . . ?
O1_6 Al1 F7 103.0(6) . . ?
O1_18 Al1 F7 106.7(5) . . ?
O1_18 Al1 O1_20 119.1(8) . . ?
O1_18 Al1 O1_21 113.4(5) . . ?
O1_20 Al1 F7 99.8(6) . . ?
O1_21 Al1 F7 105.6(4) . . ?
O1_21 Al1 O1_20 110.3(6) . . ?
O1_2 Al1 F7 105.2(5) . . ?
O1_2 Al1 O1_6 111.2(6) . . ?
O1_1 Al2 F7 104.3(2) . . ?
O1_1 Al2 O1_19 114.9(8) . . ?
O1_3 Al2 F7 104.0(2) . . ?
O1_3 Al2 O1_1 114.1(3) . . ?
O1_3 Al2 O1_19 116.2(8) . . ?
O1_5 Al2 F7 112.1(9) . . ?
O1_5 Al2 O1_1 109.8(11) . . ?
O1_5 Al2 O1_3 112.2(11) . . ?
O1_19 Al2 F7 100.9(6) . . ?
O1_7 Al3 F8 104.6(8) . . ?
O1_9 Al3 F8 108.7(8) . . ?
O1_9 Al3 O1_7 112.1(13) . . ?
O1_12 Al3 F8 103.1(6) . . ?
O1_12 Al3 O1_7 107.5(9) . . ?
O1_12 Al3 O1_9 119.5(10) . . ?
O1_13 Al3 F8 105.1(3) . . ?
O1_14 Al3 F8 97.4(4) . . ?
O1_14 Al3 O1_13 110.3(6) . . ?
O1_17 Al3 F8 110.9(6) . . ?
O1_17 Al3 O1_13 111.4(5) . . ?
O1_17 Al3 O1_14 120.1(9) . . ?
O1_8 Al4 F8 103.3(2) . . ?
O1_8 Al4 O1_10 121.1(8) . . ?
O1_8 Al4 O1_15 109.7(5) . . ?
O1_10 Al4 F8 99.3(6) . . ?
O1_11 Al4 F8 105.1(9) . . ?
O1_11 Al4 O1_8 120.2(8) . . ?
O1_11 Al4 O1_10 104.6(11) . . ?
O1_15 Al4 F8 113.4(4) . . ?
O1_16 Al4 F8 102.2(6) . . ?
O1_16 Al4 O1_8 107.5(7) . . ?
O1_16 Al4 O1_15 119.3(7) . . ?
C11 F1 Dy1 149.2(3) . . ?
C17 F2 Dy1 139.3(3) . . ?
C23 F3 Dy1 166.5(4) . . ?
C29 F4 Dy1 166.3(4) . . ?
C35 F5 Dy1 154.5(4) . . ?
C41 F6 Dy1 146.0(3) . . ?
Al1 F7 Al2 177.0(2) . . ?
Al4 F8 Al3 175.1(2) . . ?
C2 C1 Dy1 74.0(3) . . ?
C2 C1 C5 107.8(5) . . ?
C2 C1 C6 126.1(7) . . ?
C5 C1 Dy1 74.5(3) . . ?
C5 C1 C6 125.7(7) . . ?
C6 C1 Dy1 123.3(4) . . ?
C1 C2 Dy1 74.2(3) . . ?
C1 C2 C3 108.1(5) . . ?
C1 C2 C7 126.8(6) . . ?
C3 C2 Dy1 74.6(3) . . ?
C3 C2 C7 124.8(6) . . ?
C7 C2 Dy1 122.3(4) . . ?
C2 C3 Dy1 73.5(3) . . ?
C2 C3 C8 126.3(6) . . ?
C4 C3 Dy1 75.1(3) . . ?
C4 C3 C2 109.2(5) . . ?
C4 C3 C8 124.4(6) . . ?
C8 C3 Dy1 121.8(4) . . ?
C3 C4 Dy1 73.3(3) . . ?
C3 C4 C5 106.3(5) . . ?
C3 C4 C9 126.5(6) . . ?
C5 C4 Dy1 73.0(3) . . ?
C5 C4 C9 127.1(6) . . ?
C9 C4 Dy1 122.0(4) . . ?
C1 C5 Dy1 73.7(3) . . ?
C1 C5 C4 108.7(5) . . ?
C1 C5 C10 125.2(7) . . ?
C4 C5 Dy1 74.8(3) . . ?
C4 C5 C10 125.7(7) . . ?
C10 C5 Dy1 123.5(4) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 F1 116.6(6) . . ?
C16 C11 F1 118.9(6) . . ?
C16 C11 C12 124.6(6) . . ?
C11 C12 H12 121.0 . . ?
C13 C12 C11 118.0(7) . . ?
C13 C12 H12 121.0 . . ?
C12 C13 H13 120.1 . . ?
C14 C13 C12 119.8(8) . . ?
C14 C13 H13 120.1 . . ?
C13 C14 H14 118.5 . . ?
C13 C14 C15 123.1(7) . . ?
C15 C14 H14 118.5 . . ?
C14 C15 H15 120.3 . . ?
C14 C15 C16 119.4(8) . . ?
C16 C15 H15 120.3 . . ?
C11 C16 C15 115.1(8) . . ?
C11 C16 H16 122.5 . . ?
C15 C16 H16 122.5 . . ?
C18 C17 F2 118.8(5) . . ?
C18 C17 C22 124.2(6) . . ?
C22 C17 F2 117.0(5) . . ?
C17 C18 H18 121.0 . . ?
C17 C18 C19 118.0(7) . . ?
C19 C18 H18 121.0 . . ?
C18 C19 H19 119.9 . . ?
C20 C19 C18 120.2(7) . . ?
C20 C19 H19 119.9 . . ?
C19 C20 H20 119.8 . . ?
C21 C20 C19 120.3(7) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 119.2 . . ?
C20 C21 C22 121.6(8) . . ?
C22 C21 H21 119.2 . . ?
C17 C22 C21 115.6(6) . . ?
C17 C22 H22 122.2 . . ?
C21 C22 H22 122.2 . . ?
C24 C23 F3 117.5(6) . . ?
C24 C23 C28 126.9(7) . . ?
C28 C23 F3 115.6(8) . . ?
C23 C24 H24 120.2 . . ?
C23 C24 C25 119.6(10) . . ?
C25 C24 H24 120.2 . . ?
C24 C25 H25 121.9 . . ?
C24 C25 C26 116.1(12) . . ?
C26 C25 H25 121.9 . . ?
C25 C26 H26 119.6 . . ?
C27 C26 C25 120.8(10) . . ?
C27 C26 H26 119.6 . . ?
C26 C27 H27 118.3 . . ?
C26 C27 C28 123.4(10) . . ?
C28 C27 H27 118.3 . . ?
C23 C28 C27 113.2(10) . . ?
C23 C28 H28 123.4 . . ?
C27 C28 H28 123.4 . . ?
F4 C29 C30 120.2(4) . . ?
F4 C29 C34 119.8(4) . . ?
C30 C29 C34 120.0 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C32 C31 C30 120.0 . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.0 . . ?
C34 C33 H33 120.0 . . ?
C29 C34 H34 120.0 . . ?
C33 C34 C29 120.0 . . ?
C33 C34 H34 120.0 . . ?
C36 C35 F5 119.3(6) . . ?
C36 C35 C40 125.5(6) . . ?
C40 C35 F5 115.2(6) . . ?
C35 C36 H36 120.9 . . ?
C35 C36 C37 118.2(7) . . ?
C37 C36 H36 120.9 . . ?
C36 C37 H37 120.2 . . ?
C38 C37 C36 119.5(8) . . ?
C38 C37 H37 120.2 . . ?
C37 C38 H38 119.7 . . ?
C37 C38 C39 120.6(7) . . ?
C39 C38 H38 119.7 . . ?
C38 C39 H39 120.0 . . ?
C40 C39 C38 120.1(8) . . ?
C40 C39 H39 120.0 . . ?
C35 C40 H40 122.0 . . ?
C39 C40 C35 116.0(7) . . ?
C39 C40 H40 122.0 . . ?
C42 C41 F6 116.8(5) . . ?
C42 C41 C46 127.5(7) . . ?
C46 C41 F6 115.7(6) . . ?
C41 C42 H42 122.0 . . ?
C41 C42 C43 115.9(7) . . ?
C43 C42 H42 122.0 . . ?
C42 C43 H43 120.0 . . ?
C44 C43 C42 120.1(9) . . ?
C44 C43 H43 120.0 . . ?
C43 C44 H44 119.6 . . ?
C45 C44 C43 120.8(8) . . ?
C45 C44 H44 119.6 . . ?
C44 C45 H45 118.8 . . ?
C44 C45 C46 122.4(8) . . ?
C46 C45 H45 118.8 . . ?
C41 C46 C45 113.3(8) . . ?
C41 C46 H46 123.3 . . ?
C45 C46 H46 123.3 . . ?
C48 C47 H47 120.0 . . ?
C48 C47 C52 120.0 . . ?
C52 C47 H47 120.0 . . ?
C47 C48 H48 120.0 . . ?
C47 C48 C49 120.0 . . ?
C49 C48 H48 120.0 . . ?
C48 C49 H49 120.0 . . ?
C48 C49 C50 120.0 . . ?
C50 C49 H49 120.0 . . ?
F9 C50 C49 120.7(9) . . ?
F9 C50 C51 119.3(9) . . ?
C51 C50 C49 120.0 . . ?
C50 C51 H51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C52 C51 H51 120.0 . . ?
C47 C52 H52 120.0 . . ?
C51 C52 C47 120.0 . . ?
C51 C52 H52 120.0 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C54 C53 H53A 109.5 . . ?
C54 C53 H53B 109.5 . . ?
C54 C53 H53C 109.5 . . ?
C53 C54 H54A 109.7 . . ?
C53 C54 H54B 109.7 . . ?
C53 C54 C55 110(2) . . ?
H54A C54 H54B 108.2 . . ?
C55 C54 H54A 109.7 . . ?
C55 C54 H54B 109.7 . . ?
C54 C55 H55A 110.0 . . ?
C54 C55 H55B 110.0 . . ?
C54 C55 C56 108.4(19) . . ?
H55A C55 H55B 108.4 . . ?
C56 C55 H55A 110.0 . . ?
C56 C55 H55B 110.0 . . ?
C55 C56 H56A 110.0 . . ?
C55 C56 H56B 110.0 . . ?
H56A C56 H56B 108.4 . . ?
C57 C56 C55 108(2) . . ?
C57 C56 H56A 110.0 . . ?
C57 C56 H56B 110.0 . . ?
C56 C57 H57A 108.8 . . ?
C56 C57 H57B 108.8 . . ?
H57A C57 H57B 107.7 . . ?
C58 C57 C56 114(2) . . ?
C58 C57 H57A 108.8 . . ?
C58 C57 H57B 108.8 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C47_1 O1_1 Al2 156.8(6) . . ?
O1_1 C47_1 C48_1 107.2(7) . . ?
O1_1 C47_1 C49_1 113.1(7) . . ?
O1_1 C47_1 C50_1 115.2(7) . . ?
C49_1 C47_1 C48_1 107.0(8) . . ?
C49_1 C47_1 C50_1 111.8(8) . . ?
C50_1 C47_1 C48_1 101.5(8) . . ?
F7_1 C48_1 F8_1 111.5(10) . . ?
F7_1 C48_1 F9_1 101.6(12) . . ?
F7_1 C48_1 C47_1 119.6(10) . . ?
F8_1 C48_1 C47_1 112.1(9) . . ?
F9_1 C48_1 F8_1 105.4(12) . . ?
F9_1 C48_1 C47_1 104.8(9) . . ?
F10_1 C49_1 F11_1 103.6(11) . . ?
F10_1 C49_1 C47_1 114.6(10) . . ?
F11_1 C49_1 C47_1 111.7(9) . . ?
F12_1 C49_1 F10_1 108.8(11) . . ?
F12_1 C49_1 F11_1 110.2(13) . . ?
F12_1 C49_1 C47_1 107.8(10) . . ?
F13_1 C50_1 F14_1 105.2(11) . . ?
F13_1 C50_1 F15_1 109.1(13) . . ?
F13_1 C50_1 C47_1 109.3(9) . . ?
F14_1 C50_1 F15_1 108.5(14) . . ?
F14_1 C50_1 C47_1 112.9(11) . . ?
F15_1 C50_1 C47_1 111.6(9) . . ?
C47_3 O1_3 Al2 154.9(5) . . ?
O1_3 C47_3 C48_3 110.3(7) . . ?
O1_3 C47_3 C49_3 110.3(6) . . ?
O1_3 C47_3 C50_3 108.6(6) . . ?
C49_3 C47_3 C48_3 108.7(8) . . ?
C49_3 C47_3 C50_3 109.7(8) . . ?
C50_3 C47_3 C48_3 109.2(7) . . ?
F7_3 C48_3 F8_3 105.3(10) . . ?
F7_3 C48_3 F9_3 115.4(11) . . ?
F7_3 C48_3 C47_3 115.2(10) . . ?
F8_3 C48_3 C47_3 106.8(9) . . ?
F9_3 C48_3 F8_3 101.9(12) . . ?
F9_3 C48_3 C47_3 110.9(7) . . ?
F10_3 C49_3 F11_3 108.1(11) . . ?
F10_3 C49_3 C47_3 113.5(9) . . ?
F11_3 C49_3 C47_3 110.4(8) . . ?
F12_3 C49_3 F10_3 106.6(10) . . ?
F12_3 C49_3 F11_3 111.7(11) . . ?
F12_3 C49_3 C47_3 106.6(9) . . ?
F13_3 C50_3 F15_3 102.1(10) . . ?
F13_3 C50_3 C47_3 113.9(9) . . ?
F14_3 C50_3 F13_3 104.2(9) . . ?
F14_3 C50_3 F15_3 109.2(11) . . ?
F14_3 C50_3 C47_3 112.9(8) . . ?
F15_3 C50_3 C47_3 113.6(8) . . ?
C47_4 O1_4 Al1 157.1(18) . . ?
O1_4 C47_4 C48_4 112.2(14) . . ?
O1_4 C47_4 C49_4 112.7(13) . . ?
O1_4 C47_4 C50_4 107.2(12) . . ?
C49_4 C47_4 C48_4 108.1(11) . . ?
C49_4 C47_4 C50_4 109.9(11) . . ?
C50_4 C47_4 C48_4 106.6(12) . . ?
F7_4 C48_4 F8_4 103.9(16) . . ?
F7_4 C48_4 F9_4 114.2(18) . . ?
F7_4 C48_4 C47_4 113.8(14) . . ?
F8_4 C48_4 C47_4 112.6(14) . . ?
F9_4 C48_4 F8_4 105.0(16) . . ?
F9_4 C48_4 C47_4 107.0(14) . . ?
F10_4 C49_4 F11_4 112.4(15) . . ?
F10_4 C49_4 C47_4 114.7(14) . . ?
F11_4 C49_4 C47_4 111.5(12) . . ?
F12_4 C49_4 F10_4 103.9(15) . . ?
F12_4 C49_4 F11_4 104.4(14) . . ?
F12_4 C49_4 C47_4 109.0(11) . . ?
F13_4 C50_4 F14_4 110.0(17) . . ?
F13_4 C50_4 F15_4 107.3(17) . . ?
F13_4 C50_4 C47_4 106.3(14) . . ?
F14_4 C50_4 F15_4 108.8(18) . . ?
F14_4 C50_4 C47_4 112.4(14) . . ?
F15_4 C50_4 C47_4 112.0(13) . . ?
C47_5 O1_5 Al2 159(2) . . ?
O1_5 C47_5 C48_5 111.3(15) . . ?
O1_5 C47_5 C49_5 112.0(15) . . ?
O1_5 C47_5 C50_5 108.6(14) . . ?
C49_5 C47_5 C48_5 113.4(13) . . ?
C49_5 C47_5 C50_5 103.1(12) . . ?
C50_5 C47_5 C48_5 107.9(12) . . ?
F7_5 C48_5 F8_5 102.2(17) . . ?
F7_5 C48_5 F9_5 109.2(19) . . ?
F7_5 C48_5 C47_5 118.2(16) . . ?
F8_5 C48_5 C47_5 111.6(14) . . ?
F9_5 C48_5 F8_5 103.6(18) . . ?
F9_5 C48_5 C47_5 110.9(16) . . ?
F10_5 C49_5 F11_5 133(2) . . ?
F10_5 C49_5 C47_5 107.0(14) . . ?
F11_5 C49_5 C47_5 99.7(13) . . ?
F12_5 C49_5 F10_5 97.3(18) . . ?
F12_5 C49_5 F11_5 102.1(18) . . ?
F12_5 C49_5 C47_5 119.3(18) . . ?
F13_5 C50_5 F14_5 106.4(15) . . ?
F13_5 C50_5 F15_5 111.0(17) . . ?
F13_5 C50_5 C47_5 107.2(13) . . ?
F14_5 C50_5 F15_5 114.2(17) . . ?
F14_5 C50_5 C47_5 111.1(13) . . ?
F15_5 C50_5 C47_5 106.7(12) . . ?
C47_6 O1_6 Al1 147.9(10) . . ?
O1_6 C47_6 C48_6 113.2(12) . . ?
O1_6 C47_6 C49_6 111.0(11) . . ?
O1_6 C47_6 C50_6 107.6(12) . . ?
C49_6 C47_6 C48_6 110.9(11) . . ?
C49_6 C47_6 C50_6 105.9(11) . . ?
C50_6 C47_6 C48_6 107.8(12) . . ?
F7_6 C48_6 F8_6 115.0(16) . . ?
F7_6 C48_6 F9_6 110.8(14) . . ?
F7_6 C48_6 C47_6 113.6(13) . . ?
F8_6 C48_6 C47_6 107.4(11) . . ?
F9_6 C48_6 F8_6 100.2(15) . . ?
F9_6 C48_6 C47_6 108.9(13) . . ?
F10_6 C49_6 F11_6 113.6(18) . . ?
F10_6 C49_6 C47_6 112.7(13) . . ?
F11_6 C49_6 C47_6 105.6(13) . . ?
F12_6 C49_6 F10_6 105.8(14) . . ?
F12_6 C49_6 F11_6 105.7(18) . . ?
F12_6 C49_6 C47_6 113.3(13) . . ?
F13_6 C50_6 F14_6 106.6(17) . . ?
F13_6 C50_6 F15_6 103.5(15) . . ?
F13_6 C50_6 C47_6 112.7(14) . . ?
F14_6 C50_6 C47_6 106.6(15) . . ?
F15_6 C50_6 F14_6 119.9(19) . . ?
F15_6 C50_6 C47_6 107.7(12) . . ?
C47_7 O1_7 Al3 158.7(18) . . ?
O1_7 C47_7 C48_7 113.8(14) . . ?
O1_7 C47_7 C49_7 116.5(13) . . ?
O1_7 C47_7 C50_7 107.7(13) . . ?
C48_7 C47_7 C50_7 106.1(12) . . ?
C49_7 C47_7 C48_7 107.3(12) . . ?
C49_7 C47_7 C50_7 104.5(12) . . ?
F7_7 C48_7 F8_7 105.1(18) . . ?
F7_7 C48_7 F9_7 104.0(17) . . ?
F7_7 C48_7 C47_7 115.8(16) . . ?
F8_7 C48_7 F9_7 113.0(18) . . ?
F8_7 C48_7 C47_7 109.8(15) . . ?
F9_7 C48_7 C47_7 109.2(15) . . ?
F10_7 C49_7 F11_7 112.8(17) . . ?
F10_7 C49_7 C47_7 111.7(14) . . ?
F11_7 C49_7 C47_7 105.9(15) . . ?
F12_7 C49_7 F10_7 104.6(17) . . ?
F12_7 C49_7 F11_7 109.9(18) . . ?
F12_7 C49_7 C47_7 112.1(16) . . ?
F13_7 C50_7 F14_7 104.1(16) . . ?
F13_7 C50_7 F15_7 109.4(18) . . ?
F13_7 C50_7 C47_7 110.8(15) . . ?
F14_7 C50_7 F15_7 117.8(19) . . ?
F14_7 C50_7 C47_7 107.0(14) . . ?
F15_7 C50_7 C47_7 107.7(15) . . ?
C47_8 O1_8 Al4 158.6(5) . . ?
O1_8 C47_8 C48_8 110.9(6) . . ?
O1_8 C47_8 C49_8 111.2(5) . . ?
O1_8 C47_8 C50_8 107.5(6) . . ?
C49_8 C47_8 C48_8 107.8(6) . . ?
C49_8 C47_8 C50_8 110.8(6) . . ?
C50_8 C47_8 C48_8 108.6(6) . . ?
F7_8 C48_8 F8_8 106.9(8) . . ?
F7_8 C48_8 F9_8 110.8(11) . . ?
F7_8 C48_8 C47_8 113.6(7) . . ?
F8_8 C48_8 C47_8 110.6(8) . . ?
F9_8 C48_8 F8_8 103.9(9) . . ?
F9_8 C48_8 C47_8 110.6(7) . . ?
F10_8 C49_8 F11_8 106.5(7) . . ?
F10_8 C49_8 C47_8 112.3(6) . . ?
F11_8 C49_8 C47_8 114.6(6) . . ?
F12_8 C49_8 F10_8 105.1(8) . . ?
F12_8 C49_8 F11_8 105.9(8) . . ?
F12_8 C49_8 C47_8 111.7(6) . . ?
F13_8 C50_8 F14_8 106.8(9) . . ?
F13_8 C50_8 C47_8 113.0(7) . . ?
F14_8 C50_8 C47_8 109.9(7) . . ?
F15_8 C50_8 F13_8 104.2(8) . . ?
F15_8 C50_8 F14_8 109.3(9) . . ?
F15_8 C50_8 C47_8 113.3(7) . . ?
C47_9 O1_9 Al3 163(2) . . ?
O1_9 C47_9 C48_9 112.3(13) . . ?
O1_9 C47_9 C49_9 111.6(14) . . ?
O1_9 C47_9 C50_9 108.0(13) . . ?
C49_9 C47_9 C48_9 109.5(12) . . ?
C49_9 C47_9 C50_9 105.9(12) . . ?
C50_9 C47_9 C48_9 109.3(11) . . ?
F7_9 C48_9 F8_9 108.3(15) . . ?
F7_9 C48_9 F9_9 109.5(16) . . ?
F7_9 C48_9 C47_9 112.1(13) . . ?
F8_9 C48_9 F9_9 104.9(16) . . ?
F8_9 C48_9 C47_9 113.3(13) . . ?
F9_9 C48_9 C47_9 108.5(13) . . ?
F10_9 C49_9 C47_9 104.5(15) . . ?
F11_9 C49_9 F10_9 113.3(19) . . ?
F11_9 C49_9 C47_9 112.7(16) . . ?
F12_9 C49_9 F10_9 107.7(16) . . ?
F12_9 C49_9 F11_9 107.5(17) . . ?
F12_9 C49_9 C47_9 111.1(15) . . ?
F13_9 C50_9 F14_9 105.0(18) . . ?
F13_9 C50_9 F15_9 104.0(17) . . ?
F13_9 C50_9 C47_9 111.6(15) . . ?
F14_9 C50_9 C47_9 110.1(13) . . ?
F15_9 C50_9 F14_9 114.5(18) . . ?
F15_9 C50_9 C47_9 111.3(14) . . ?
C47_10 O1_10 Al4 167.8(15) . . ?
O1_10 C47_10 C48_10 109.4(13) . . ?
O1_10 C47_10 C49_10 115.4(14) . . ?
O1_10 C47_10 C50_10 106.2(12) . . ?
C49_10 C47_10 C48_10 109.4(12) . . ?
C49_10 C47_10 C50_10 107.4(12) . . ?
C50_10 C47_10 C48_10 109.0(12) . . ?
F7_10 C48_10 F8_10 103.1(17) . . ?
F7_10 C48_10 F9_10 113.4(18) . . ?
F7_10 C48_10 C47_10 120.2(16) . . ?
F8_10 C48_10 C47_10 110.8(15) . . ?
F9_10 C48_10 F8_10 101.1(18) . . ?
F9_10 C48_10 C47_10 106.6(13) . . ?
F10_10 C49_10 F11_10 112.1(18) . . ?
F10_10 C49_10 C47_10 110.2(13) . . ?
F11_10 C49_10 C47_10 113.5(14) . . ?
F12_10 C49_10 F10_10 108.8(17) . . ?
F12_10 C49_10 F11_10 99.6(17) . . ?
F12_10 C49_10 C47_10 112.2(15) . . ?
F13_10 C50_10 F14_10 111.0(18) . . ?
F13_10 C50_10 F15_10 106.1(19) . . ?
F13_10 C50_10 C47_10 110.3(16) . . ?
F14_10 C50_10 F15_10 110.1(19) . . ?
F14_10 C50_10 C47_10 110.3(14) . . ?
F15_10 C50_10 C47_10 109.0(15) . . ?
C47_11 O1_11 Al4 153.3(17) . . ?
O1_11 C47_11 C48_11 106.7(13) . . ?
O1_11 C47_11 C49_11 117.1(15) . . ?
O1_11 C47_11 C50_11 103.2(12) . . ?
C49_11 C47_11 C48_11 110.5(12) . . ?
C49_11 C47_11 C50_11 113.3(12) . . ?
C50_11 C47_11 C48_11 105.1(12) . . ?
F7_11 C48_11 F8_11 104.3(17) . . ?
F7_11 C48_11 F9_11 112.9(19) . . ?
F7_11 C48_11 C47_11 115.7(16) . . ?
F8_11 C48_11 C47_11 110.2(14) . . ?
F9_11 C48_11 F8_11 102.0(18) . . ?
F9_11 C48_11 C47_11 110.7(14) . . ?
F10_11 C49_11 F11_11 109.6(18) . . ?
F10_11 C49_11 C47_11 116.2(14) . . ?
F11_11 C49_11 C47_11 112.9(16) . . ?
F12_11 C49_11 F10_11 98.7(15) . . ?
F12_11 C49_11 F11_11 110.2(18) . . ?
F12_11 C49_11 C47_11 108.1(13) . . ?
F13_11 C50_11 F14_11 103.5(16) . . ?
F13_11 C50_11 F15_11 110.5(19) . . ?
F13_11 C50_11 C47_11 100.3(14) . . ?
F14_11 C50_11 F15_11 121.2(18) . . ?
F14_11 C50_11 C47_11 109.3(13) . . ?
F15_11 C50_11 C47_11 109.9(16) . . ?
C47_12 O1_12 Al3 153.4(12) . . ?
O1_12 C47_12 C48_12 99.8(11) . . ?
O1_12 C47_12 C49_12 112.1(12) . . ?
O1_12 C47_12 C50_12 109.5(12) . . ?
C49_12 C47_12 C48_12 113.4(11) . . ?
C50_12 C47_12 C48_12 111.2(12) . . ?
C50_12 C47_12 C49_12 110.5(11) . . ?
F7_12 C48_12 F8_12 112.0(17) . . ?
F7_12 C48_12 F9_12 109.4(17) . . ?
F7_12 C48_12 C47_12 117.9(16) . . ?
F8_12 C48_12 C47_12 107.3(14) . . ?
F9_12 C48_12 F8_12 105.1(15) . . ?
F9_12 C48_12 C47_12 104.1(12) . . ?
F10_12 C49_12 F11_12 116.5(16) . . ?
F10_12 C49_12 C47_12 111.7(13) . . ?
F11_12 C49_12 C47_12 110.3(12) . . ?
F12_12 C49_12 F10_12 104.8(17) . . ?
F12_12 C49_12 F11_12 104.2(17) . . ?
F12_12 C49_12 C47_12 108.7(15) . . ?
F13_12 C50_12 F14_12 104.0(16) . . ?
F13_12 C50_12 F15_12 110.4(18) . . ?
F13_12 C50_12 C47_12 110.9(15) . . ?
F14_12 C50_12 F15_12 114.9(19) . . ?
F14_12 C50_12 C47_12 108.5(14) . . ?
F15_12 C50_12 C47_12 108.0(13) . . ?
C47_13 O1_13 Al3 151.2(7) . . ?
O1_13 C47_13 C48_13 118.0(9) . . ?
O1_13 C47_13 C49_13 111.2(9) . . ?
O1_13 C47_13 C50_13 107.5(8) . . ?
C48_13 C47_13 C50_13 105.6(9) . . ?
C49_13 C47_13 C48_13 106.1(9) . . ?
C49_13 C47_13 C50_13 108.1(9) . . ?
F7_13 C48_13 F8_13 105.8(15) . . ?
F7_13 C48_13 F9_13 108.9(14) . . ?
F7_13 C48_13 C47_13 114.0(12) . . ?
F8_13 C48_13 C47_13 108.7(11) . . ?
F9_13 C48_13 F8_13 107.2(15) . . ?
F9_13 C48_13 C47_13 111.8(12) . . ?
F10_13 C49_13 F11_13 119.1(15) . . ?
F10_13 C49_13 C47_13 110.5(11) . . ?
F11_13 C49_13 C47_13 110.2(10) . . ?
F12_13 C49_13 F10_13 101.7(12) . . ?
F12_13 C49_13 F11_13 101.1(10) . . ?
F12_13 C49_13 C47_13 113.7(10) . . ?
F13_13 C50_13 F14_13 105.4(12) . . ?
F13_13 C50_13 C47_13 112.3(9) . . ?
F14_13 C50_13 C47_13 105.4(10) . . ?
F15_13 C50_13 F13_13 107.2(10) . . ?
F15_13 C50_13 F14_13 111.0(13) . . ?
F15_13 C50_13 C47_13 115.1(9) . . ?
C47_14 O1_14 Al3 144.9(9) . . ?
O1_14 C47_14 C48_14 111.1(10) . . ?
O1_14 C47_14 C49_14 110.7(10) . . ?
O1_14 C47_14 C50_14 106.6(9) . . ?
C49_14 C47_14 C48_14 106.3(9) . . ?
C49_14 C47_14 C50_14 115.1(9) . . ?
C50_14 C47_14 C48_14 107.0(9) . . ?
F7_14 C48_14 F8_14 106.7(11) . . ?
F7_14 C48_14 C47_14 114.5(11) . . ?
F8_14 C48_14 C47_14 111.3(11) . . ?
F9_14 C48_14 F7_14 108.9(13) . . ?
F9_14 C48_14 F8_14 106.6(12) . . ?
F9_14 C48_14 C47_14 108.5(9) . . ?
F10_14 C49_14 F11_14 109.3(12) . . ?
F10_14 C49_14 C47_14 115.0(12) . . ?
F11_14 C49_14 C47_14 110.1(11) . . ?
F12_14 C49_14 F10_14 104.7(13) . . ?
F12_14 C49_14 F11_14 103.9(12) . . ?
F12_14 C49_14 C47_14 113.2(11) . . ?
F13_14 C50_14 F14_14 105.3(12) . . ?
F13_14 C50_14 C47_14 112.0(9) . . ?
F14_14 C50_14 C47_14 112.2(10) . . ?
F15_14 C50_14 F13_14 106.6(11) . . ?
F15_14 C50_14 F14_14 109.3(13) . . ?
F15_14 C50_14 C47_14 111.1(10) . . ?
C47_15 O1_15 Al4 151.6(8) . . ?
O1_15 C47_15 C48_15 108.0(7) . . ?
O1_15 C47_15 C49_15 111.2(9) . . ?
O1_15 C47_15 C50_15 110.7(9) . . ?
C48_15 C47_15 C50_15 107.0(8) . . ?
C49_15 C47_15 C48_15 111.2(8) . . ?
C49_15 C47_15 C50_15 108.6(8) . . ?
F7_15 C48_15 F8_15 108.3(10) . . ?
F7_15 C48_15 F9_15 105.7(11) . . ?
F7_15 C48_15 C47_15 114.6(8) . . ?
F8_15 C48_15 F9_15 101.8(12) . . ?
F8_15 C48_15 C47_15 115.4(9) . . ?
F9_15 C48_15 C47_15 109.8(9) . . ?
F10_15 C49_15 F11_15 110.9(10) . . ?
F10_15 C49_15 C47_15 113.6(9) . . ?
F11_15 C49_15 C47_15 108.0(9) . . ?
F12_15 C49_15 F10_15 107.7(11) . . ?
F12_15 C49_15 F11_15 106.6(12) . . ?
F12_15 C49_15 C47_15 109.9(9) . . ?
F13_15 C50_15 F14_15 113.4(12) . . ?
F13_15 C50_15 F15_15 109.1(13) . . ?
F13_15 C50_15 C47_15 109.9(10) . . ?
F14_15 C50_15 C47_15 110.3(11) . . ?
F15_15 C50_15 F14_15 105.3(11) . . ?
F15_15 C50_15 C47_15 108.6(10) . . ?
C47_16 O1_16 Al4 153.9(11) . . ?
O1_16 C47_16 C48_16 111.8(11) . . ?
O1_16 C47_16 C49_16 105.7(9) . . ?
O1_16 C47_16 C50_16 110.7(10) . . ?
C49_16 C47_16 C48_16 110.6(9) . . ?
C49_16 C47_16 C50_16 107.8(9) . . ?
C50_16 C47_16 C48_16 110.1(9) . . ?
F7_16 C48_16 F8_16 108.6(15) . . ?
F7_16 C48_16 F9_16 114.2(16) . . ?
F7_16 C48_16 C47_16 111.5(12) . . ?
F8_16 C48_16 C47_16 111.2(11) . . ?
F9_16 C48_16 F8_16 97.4(13) . . ?
F9_16 C48_16 C47_16 113.1(12) . . ?
F10_16 C49_16 F11_16 114.0(13) . . ?
F10_16 C49_16 C47_16 111.4(9) . . ?
F11_16 C49_16 C47_16 112.7(10) . . ?
F12_16 C49_16 F10_16 103.6(11) . . ?
F12_16 C49_16 F11_16 102.5(13) . . ?
F12_16 C49_16 C47_16 111.9(10) . . ?
F13_16 C50_16 F14_16 104.3(10) . . ?
F13_16 C50_16 F15_16 105.9(15) . . ?
F13_16 C50_16 C47_16 111.0(9) . . ?
F14_16 C50_16 C47_16 110.7(10) . . ?
F15_16 C50_16 F14_16 112.3(13) . . ?
F15_16 C50_16 C47_16 112.2(10) . . ?
C47_17 O1_17 Al3 152.1(11) . . ?
O1_17 C47_17 C48_17 107.8(11) . . ?
O1_17 C47_17 C49_17 112.8(10) . . ?
O1_17 C47_17 C50_17 107.0(9) . . ?
C49_17 C47_17 C48_17 106.7(9) . . ?
C50_17 C47_17 C48_17 113.0(9) . . ?
C50_17 C47_17 C49_17 109.6(9) . . ?
F7_17 C48_17 F8_17 108.6(14) . . ?
F7_17 C48_17 F9_17 114.4(13) . . ?
F7_17 C48_17 C47_17 110.6(10) . . ?
F8_17 C48_17 F9_17 106.5(12) . . ?
F8_17 C48_17 C47_17 106.9(11) . . ?
F9_17 C48_17 C47_17 109.5(10) . . ?
F10_17 C49_17 F11_17 115.6(15) . . ?
F10_17 C49_17 C47_17 107.7(11) . . ?
F11_17 C49_17 C47_17 110.0(11) . . ?
F12_17 C49_17 F10_17 106.4(12) . . ?
F12_17 C49_17 F11_17 108.0(13) . . ?
F12_17 C49_17 C47_17 108.9(10) . . ?
F13_17 C50_17 F14_17 104.8(11) . . ?
F13_17 C50_17 F15_17 108.0(11) . . ?
F13_17 C50_17 C47_17 112.4(10) . . ?
F14_17 C50_17 F15_17 110.1(12) . . ?
F14_17 C50_17 C47_17 112.8(9) . . ?
F15_17 C50_17 C47_17 108.6(10) . . ?
C47_18 O1_18 Al1 161.3(9) . . ?
O1_18 C47_18 C48_18 108.1(9) . . ?
O1_18 C47_18 C49_18 114.5(9) . . ?
O1_18 C47_18 C50_18 102.2(9) . . ?
C49_18 C47_18 C48_18 107.9(9) . . ?
C49_18 C47_18 C50_18 113.4(10) . . ?
C50_18 C47_18 C48_18 110.6(9) . . ?
F7_18 C48_18 F8_18 111.3(13) . . ?
F7_18 C48_18 F9_18 113.2(14) . . ?
F7_18 C48_18 C47_18 111.6(11) . . ?
F8_18 C48_18 C47_18 105.5(10) . . ?
F9_18 C48_18 F8_18 101.5(14) . . ?
F9_18 C48_18 C47_18 112.9(10) . . ?
F10_18 C49_18 F11_18 100.8(13) . . ?
F10_18 C49_18 C47_18 111.4(10) . . ?
F11_18 C49_18 C47_18 119.5(12) . . ?
F12_18 C49_18 F10_18 108.0(16) . . ?
F12_18 C49_18 F11_18 105.0(15) . . ?
F12_18 C49_18 C47_18 111.2(11) . . ?
F13_18 C50_18 F14_18 103.2(13) . . ?
F13_18 C50_18 F15_18 98.2(14) . . ?
F13_18 C50_18 C47_18 110.7(13) . . ?
F14_18 C50_18 C47_18 102.8(9) . . ?
F15_18 C50_18 F14_18 134.4(15) . . ?
F15_18 C50_18 C47_18 106.5(9) . . ?
C47_19 O1_19 Al2 157.4(16) . . ?
O1_19 C47_19 C48_19 107.9(12) . . ?
O1_19 C47_19 C49_19 115.0(12) . . ?
O1_19 C47_19 C50_19 111.3(11) . . ?
C49_19 C47_19 C48_19 104.7(10) . . ?
C49_19 C47_19 C50_19 109.8(10) . . ?
C50_19 C47_19 C48_19 107.7(10) . . ?
F7_19 C48_19 F8_19 108.5(14) . . ?
F7_19 C48_19 F9_19 112.0(14) . . ?
F7_19 C48_19 C47_19 116.2(12) . . ?
F8_19 C48_19 C47_19 100.4(12) . . ?
F9_19 C48_19 F8_19 110.2(17) . . ?
F9_19 C48_19 C47_19 109.0(11) . . ?
F10_19 C49_19 F11_19 110.0(15) . . ?
F10_19 C49_19 C47_19 117.1(13) . . ?
F11_19 C49_19 C47_19 107.6(11) . . ?
F12_19 C49_19 F10_19 97.6(14) . . ?
F12_19 C49_19 F11_19 113.3(14) . . ?
F12_19 C49_19 C47_19 111.2(11) . . ?
F13_19 C50_19 F14_19 106.6(14) . . ?
F13_19 C50_19 F15_19 106.6(14) . . ?
F13_19 C50_19 C47_19 114.8(12) . . ?
F14_19 C50_19 C47_19 108.8(13) . . ?
F15_19 C50_19 F14_19 104.9(16) . . ?
F15_19 C50_19 C47_19 114.4(11) . . ?
C47_20 O1_20 Al1 155.2(11) . . ?
O1_20 C47_20 C48_20 111.8(11) . . ?
O1_20 C47_20 C49_20 108.3(10) . . ?
O1_20 C47_20 C50_20 110.3(11) . . ?
C49_20 C47_20 C48_20 106.2(10) . . ?
C50_20 C47_20 C48_20 109.6(10) . . ?
C50_20 C47_20 C49_20 110.6(10) . . ?
F7_20 C48_20 F8_20 111.0(15) . . ?
F7_20 C48_20 F9_20 115.5(15) . . ?
F7_20 C48_20 C47_20 113.1(12) . . ?
F8_20 C48_20 C47_20 106.9(12) . . ?
F9_20 C48_20 F8_20 103.8(15) . . ?
F9_20 C48_20 C47_20 105.9(11) . . ?
F10_20 C49_20 F11_20 105.4(14) . . ?
F10_20 C49_20 C47_20 111.8(12) . . ?
F11_20 C49_20 C47_20 110.3(11) . . ?
F12_20 C49_20 F10_20 108.9(15) . . ?
F12_20 C49_20 F11_20 113.0(16) . . ?
F12_20 C49_20 C47_20 107.5(12) . . ?
F13_20 C50_20 F14_20 104.2(14) . . ?
F13_20 C50_20 F15_20 110.2(13) . . ?
F13_20 C50_20 C47_20 114.6(12) . . ?
F14_20 C50_20 C47_20 107.8(12) . . ?
F15_20 C50_20 F14_20 108.4(14) . . ?
F15_20 C50_20 C47_20 111.3(10) . . ?
C47_21 O1_21 Al1 153.8(9) . . ?
O1_21 C47_21 C48_21 112.2(10) . . ?
O1_21 C47_21 C49_21 113.0(9) . . ?
O1_21 C47_21 C50_21 110.6(9) . . ?
C48_21 C47_21 C50_21 107.4(9) . . ?
C49_21 C47_21 C48_21 106.5(10) . . ?
C49_21 C47_21 C50_21 106.9(10) . . ?
F7_21 C48_21 F8_21 106.9(15) . . ?
F7_21 C48_21 F9_21 111.0(14) . . ?
F7_21 C48_21 C47_21 113.9(12) . . ?
F8_21 C48_21 C47_21 106.5(11) . . ?
F9_21 C48_21 F8_21 107.6(15) . . ?
F9_21 C48_21 C47_21 110.7(12) . . ?
F10_21 C49_21 F11_21 109.0(14) . . ?
F10_21 C49_21 C47_21 112.2(11) . . ?
F11_21 C49_21 C47_21 107.3(10) . . ?
F12_21 C49_21 F10_21 110.5(15) . . ?
F12_21 C49_21 F11_21 106.9(15) . . ?
F12_21 C49_21 C47_21 110.8(12) . . ?
F13_21 C50_21 F14_21 109.3(13) . . ?
F13_21 C50_21 F15_21 109.5(13) . . ?
F13_21 C50_21 C47_21 106.1(10) . . ?
F14_21 C50_21 F15_21 109.2(13) . . ?
F14_21 C50_21 C47_21 112.0(11) . . ?
F15_21 C50_21 C47_21 110.6(11) . . ?
C47_2 O1_2 Al1 148.0(10) . . ?
O1_2 C47_2 C48_2 108.8(10) . . ?
O1_2 C47_2 C49_2 108.6(10) . . ?
O1_2 C47_2 C50_2 111.2(11) . . ?
C49_2 C47_2 C48_2 109.4(10) . . ?
C50_2 C47_2 C48_2 110.2(10) . . ?
C50_2 C47_2 C49_2 108.7(10) . . ?
F7_2 C48_2 F8_2 106.7(15) . . ?
F7_2 C48_2 F9_2 109.2(14) . . ?
F7_2 C48_2 C47_2 111.4(13) . . ?
F8_2 C48_2 C47_2 107.9(11) . . ?
F9_2 C48_2 F8_2 106.9(14) . . ?
F9_2 C48_2 C47_2 114.4(11) . . ?
F10_2 C49_2 F11_2 109.9(15) . . ?
F10_2 C49_2 C47_2 112.5(12) . . ?
F11_2 C49_2 C47_2 108.3(12) . . ?
F12_2 C49_2 F10_2 106.2(14) . . ?
F12_2 C49_2 F11_2 111.3(15) . . ?
F12_2 C49_2 C47_2 108.7(10) . . ?
F13_2 C50_2 F14_2 108.0(15) . . ?
F13_2 C50_2 C47_2 112.8(12) . . ?
F14_2 C50_2 C47_2 111.5(11) . . ?
F15_2 C50_2 F13_2 101.4(15) . . ?
F15_2 C50_2 F14_2 108.0(15) . . ?
F15_2 C50_2 C47_2 114.6(12) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 F1 2.393(3) . ?
Dy1 F2 2.427(3) . ?
Dy1 F3 2.389(4) . ?
Dy1 F4 2.363(4) . ?
Dy1 F5 2.432(4) . ?
Dy1 F6 2.410(3) . ?
Dy1 C1 2.563(5) . ?
Dy1 C2 2.560(5) . ?
Dy1 C3 2.574(5) . ?
Dy1 C4 2.597(5) . ?
Dy1 C5 2.573(5) . ?
Al1 F7 1.764(3) . ?
Al1 O1_4 1.616(15) . ?
Al1 O1_6 1.736(12) . ?
Al1 O1_18 1.645(9) . ?
Al1 O1_20 1.712(11) . ?
Al1 O1_21 1.701(8) . ?
Al1 O1_2 1.683(10) . ?
Al2 F7 1.765(3) . ?
Al2 O1_1 1.684(5) . ?
Al2 O1_3 1.673(5) . ?
Al2 O1_5 1.643(17) . ?
Al2 O1_19 1.705(12) . ?
Al3 F8 1.760(3) . ?
Al3 O1_7 1.733(11) . ?
Al3 O1_9 1.651(11) . ?
Al3 O1_12 1.633(10) . ?
Al3 O1_13 1.725(7) . ?
Al3 O1_14 1.704(8) . ?
Al3 O1_17 1.641(7) . ?
Al4 F8 1.762(3) . ?
Al4 O1_8 1.678(5) . ?
Al4 O1_10 1.674(10) . ?
Al4 O1_11 1.677(11) . ?
Al4 O1_15 1.680(7) . ?
Al4 O1_16 1.672(8) . ?
F1 C11 1.404(6) . ?
F2 C17 1.410(6) . ?
F3 C23 1.422(7) . ?
F4 C29 1.367(5) . ?
F5 C35 1.416(7) . ?
F6 C41 1.438(6) . ?
F9 C50 1.331(18) . ?
C1 C2 1.405(9) . ?
C1 C5 1.406(9) . ?
C1 C6 1.507(8) . ?
C2 C3 1.413(8) . ?
C2 C7 1.532(8) . ?
C3 C4 1.406(8) . ?
C3 C8 1.511(9) . ?
C4 C5 1.437(8) . ?
C4 C9 1.488(8) . ?
C5 C10 1.514(9) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.370(10) . ?
C11 C16 1.337(10) . ?
C12 H12 0.9500 . ?
C12 C13 1.352(10) . ?
C13 H13 0.9500 . ?
C13 C14 1.329(14) . ?
C14 H14 0.9500 . ?
C14 C15 1.333(15) . ?
C15 H15 0.9500 . ?
C15 C16 1.432(12) . ?
C16 H16 0.9500 . ?
C17 C18 1.343(9) . ?
C17 C22 1.368(9) . ?
C18 H18 0.9500 . ?
C18 C19 1.367(10) . ?
C19 H19 0.9500 . ?
C19 C20 1.350(12) . ?
C20 H20 0.9500 . ?
C20 C21 1.352(12) . ?
C21 H21 0.9500 . ?
C21 C22 1.375(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.350(12) . ?
C23 C28 1.371(11) . ?
C24 H24 0.9500 . ?
C24 C25 1.368(13) . ?
C25 H25 0.9500 . ?
C25 C26 1.46(2) . ?
C26 H26 0.9500 . ?
C26 C27 1.322(19) . ?
C27 H27 0.9500 . ?
C27 C28 1.411(14) . ?
C28 H28 0.9500 . ?
C29 C30 1.3900 . ?
C29 C34 1.3900 . ?
C30 H30 0.9500 . ?
C30 C31 1.3900 . ?
C31 H31 0.9500 . ?
C31 C32 1.3900 . ?
C32 H32 0.9500 . ?
C32 C33 1.3900 . ?
C33 H33 0.9500 . ?
C33 C34 1.3900 . ?
C34 H34 0.9500 . ?
C35 C36 1.337(10) . ?
C35 C40 1.353(9) . ?
C36 H36 0.9500 . ?
C36 C37 1.378(11) . ?
C37 H37 0.9500 . ?
C37 C38 1.361(13) . ?
C38 H38 0.9500 . ?
C38 C39 1.385(14) . ?
C39 H39 0.9500 . ?
C39 C40 1.395(11) . ?
C40 H40 0.9500 . ?
C41 C42 1.333(10) . ?
C41 C46 1.367(10) . ?
C42 H42 0.9500 . ?
C42 C43 1.413(11) . ?
C43 H43 0.9500 . ?
C43 C44 1.358(14) . ?
C44 H44 0.9500 . ?
C44 C45 1.334(15) . ?
C45 H45 0.9500 . ?
C45 C46 1.419(14) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C47 C48 1.3900 . ?
C47 C52 1.3900 . ?
C48 H48 0.9500 . ?
C48 C49 1.3900 . ?
C49 H49 0.9500 . ?
C49 C50 1.3900 . ?
C50 C51 1.3900 . ?
C51 H51 0.9500 . ?
C51 C52 1.3900 . ?
C52 H52 0.9500 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C53 C54 1.50(2) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C54 C55 1.51(2) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C56 1.53(2) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C57 1.50(2) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 C58 1.462(19) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
F7_1 C48_1 1.212(11) . ?
F8_1 C48_1 1.339(12) . ?
F9_1 C48_1 1.284(12) . ?
F10_1 C49_1 1.312(10) . ?
F11_1 C49_1 1.333(12) . ?
F12_1 C49_1 1.308(12) . ?
F13_1 C50_1 1.339(12) . ?
F14_1 C50_1 1.283(12) . ?
F15_1 C50_1 1.295(12) . ?
O1_1 C47_1 1.326(7) . ?
C47_1 C48_1 1.566(11) . ?
C47_1 C49_1 1.498(11) . ?
C47_1 C50_1 1.503(10) . ?
F7_3 C48_3 1.274(11) . ?
F8_3 C48_3 1.350(12) . ?
F9_3 C48_3 1.292(11) . ?
F10_3 C49_3 1.297(10) . ?
F11_3 C49_3 1.302(11) . ?
F12_3 C49_3 1.344(11) . ?
F13_3 C50_3 1.341(10) . ?
F14_3 C50_3 1.290(11) . ?
F15_3 C50_3 1.325(11) . ?
O1_3 C47_3 1.367(8) . ?
C47_3 C48_3 1.523(10) . ?
C47_3 C49_3 1.511(11) . ?
C47_3 C50_3 1.515(10) . ?
F7_4 C48_4 1.302(14) . ?
F8_4 C48_4 1.342(14) . ?
F9_4 C48_4 1.322(14) . ?
F10_4 C49_4 1.301(13) . ?
F11_4 C49_4 1.322(14) . ?
F12_4 C49_4 1.333(14) . ?
F13_4 C50_4 1.353(14) . ?
F14_4 C50_4 1.297(14) . ?
F15_4 C50_4 1.305(14) . ?
O1_4 C47_4 1.352(12) . ?
C47_4 C48_4 1.530(13) . ?
C47_4 C49_4 1.525(13) . ?
C47_4 C50_4 1.527(13) . ?
F7_5 C48_5 1.289(14) . ?
F8_5 C48_5 1.371(15) . ?
F9_5 C48_5 1.318(14) . ?
F10_5 C49_5 1.311(14) . ?
F11_5 C49_5 1.317(14) . ?
F12_5 C49_5 1.328(15) . ?
F13_5 C50_5 1.334(14) . ?
F14_5 C50_5 1.319(14) . ?
F15_5 C50_5 1.301(14) . ?
O1_5 C47_5 1.329(12) . ?
C47_5 C48_5 1.521(13) . ?
C47_5 C49_5 1.516(13) . ?
C47_5 C50_5 1.537(13) . ?
F7_6 C48_6 1.288(13) . ?
F8_6 C48_6 1.371(14) . ?
F9_6 C48_6 1.320(14) . ?
F10_6 C49_6 1.310(14) . ?
F11_6 C49_6 1.318(14) . ?
F12_6 C49_6 1.322(14) . ?
F13_6 C50_6 1.339(14) . ?
F14_6 C50_6 1.304(14) . ?
F15_6 C50_6 1.303(14) . ?
O1_6 C47_6 1.349(12) . ?
C47_6 C48_6 1.526(13) . ?
C47_6 C49_6 1.509(13) . ?
C47_6 C50_6 1.527(13) . ?
F7_7 C48_7 1.287(14) . ?
F8_7 C48_7 1.317(14) . ?
F9_7 C48_7 1.347(14) . ?
F10_7 C49_7 1.309(14) . ?
F11_7 C49_7 1.325(14) . ?
F12_7 C49_7 1.325(14) . ?
F13_7 C50_7 1.351(14) . ?
F14_7 C50_7 1.295(14) . ?
F15_7 C50_7 1.298(14) . ?
O1_7 C47_7 1.372(12) . ?
C47_7 C48_7 1.516(13) . ?
C47_7 C49_7 1.516(13) . ?
C47_7 C50_7 1.553(13) . ?
F7_8 C48_8 1.289(10) . ?
F8_8 C48_8 1.322(10) . ?
F9_8 C48_8 1.286(10) . ?
F10_8 C49_8 1.304(9) . ?
F11_8 C49_8 1.304(8) . ?
F12_8 C49_8 1.293(9) . ?
F13_8 C50_8 1.304(9) . ?
F14_8 C50_8 1.304(10) . ?
F15_8 C50_8 1.279(9) . ?
O1_8 C47_8 1.347(7) . ?
C47_8 C48_8 1.528(10) . ?
C47_8 C49_8 1.517(8) . ?
C47_8 C50_8 1.534(9) . ?
F7_9 C48_9 1.291(13) . ?
F8_9 C48_9 1.313(13) . ?
F9_9 C48_9 1.335(14) . ?
F10_9 C49_9 1.334(14) . ?
F11_9 C49_9 1.321(14) . ?
F12_9 C49_9 1.314(13) . ?
F13_9 C50_9 1.345(14) . ?
F14_9 C50_9 1.306(14) . ?
F15_9 C50_9 1.295(14) . ?
O1_9 C47_9 1.344(12) . ?
C47_9 C48_9 1.516(13) . ?
C47_9 C49_9 1.511(13) . ?
C47_9 C50_9 1.532(13) . ?
F7_10 C48_10 1.251(14) . ?
F8_10 C48_10 1.355(15) . ?
F9_10 C48_10 1.331(14) . ?
F10_10 C49_10 1.329(14) . ?
F11_10 C49_10 1.293(14) . ?
F12_10 C49_10 1.320(14) . ?
F13_10 C50_10 1.336(14) . ?
F14_10 C50_10 1.302(14) . ?
F15_10 C50_10 1.311(14) . ?
O1_10 C47_10 1.337(12) . ?
C47_10 C48_10 1.534(13) . ?
C47_10 C49_10 1.496(13) . ?
C47_10 C50_10 1.539(13) . ?
F7_11 C48_11 1.261(14) . ?
F8_11 C48_11 1.346(15) . ?
F9_11 C48_11 1.316(15) . ?
F10_11 C49_11 1.322(14) . ?
F11_11 C49_11 1.317(14) . ?
F12_11 C49_11 1.313(14) . ?
F13_11 C50_11 1.345(14) . ?
F14_11 C50_11 1.312(14) . ?
F15_11 C50_11 1.297(14) . ?
O1_11 C47_11 1.348(12) . ?
C47_11 C48_11 1.536(13) . ?
C47_11 C49_11 1.487(13) . ?
C47_11 C50_11 1.540(13) . ?
F7_12 C48_12 1.256(13) . ?
F8_12 C48_12 1.357(14) . ?
F9_12 C48_12 1.331(14) . ?
F10_12 C49_12 1.302(14) . ?
F11_12 C49_12 1.315(14) . ?
F12_12 C49_12 1.325(14) . ?
F13_12 C50_12 1.339(14) . ?
F14_12 C50_12 1.312(14) . ?
F15_12 C50_12 1.293(14) . ?
O1_12 C47_12 1.337(12) . ?
C47_12 C48_12 1.532(12) . ?
C47_12 C49_12 1.507(12) . ?
C47_12 C50_12 1.527(13) . ?
F7_13 C48_13 1.291(12) . ?
F8_13 C48_13 1.355(13) . ?
F9_13 C48_13 1.298(13) . ?
F10_13 C49_13 1.283(13) . ?
F11_13 C49_13 1.327(13) . ?
F12_13 C49_13 1.325(12) . ?
F13_13 C50_13 1.345(11) . ?
F14_13 C50_13 1.331(13) . ?
F15_13 C50_13 1.277(12) . ?
O1_13 C47_13 1.342(10) . ?
C47_13 C48_13 1.525(11) . ?
C47_13 C49_13 1.531(11) . ?
C47_13 C50_13 1.540(11) . ?
F7_14 C48_14 1.312(11) . ?
F8_14 C48_14 1.319(12) . ?
F9_14 C48_14 1.325(13) . ?
F10_14 C49_14 1.329(12) . ?
F11_14 C49_14 1.324(12) . ?
F12_14 C49_14 1.350(13) . ?
F13_14 C50_14 1.344(11) . ?
F14_14 C50_14 1.337(13) . ?
F15_14 C50_14 1.322(12) . ?
O1_14 C47_14 1.381(10) . ?
C47_14 C48_14 1.543(12) . ?
C47_14 C49_14 1.501(11) . ?
C47_14 C50_14 1.523(11) . ?
F7_15 C48_15 1.307(10) . ?
F8_15 C48_15 1.306(12) . ?
F9_15 C48_15 1.344(13) . ?
F10_15 C49_15 1.311(12) . ?
F11_15 C49_15 1.356(12) . ?
F12_15 C49_15 1.312(12) . ?
F13_15 C50_15 1.328(13) . ?
F14_15 C50_15 1.335(12) . ?
F15_15 C50_15 1.321(12) . ?
O1_15 C47_15 1.349(9) . ?
C47_15 C48_15 1.509(10) . ?
C47_15 C49_15 1.513(11) . ?
C47_15 C50_15 1.540(11) . ?
F7_16 C48_16 1.298(13) . ?
F8_16 C48_16 1.372(13) . ?
F9_16 C48_16 1.302(13) . ?
F10_16 C49_16 1.305(11) . ?
F11_16 C49_16 1.320(12) . ?
F12_16 C49_16 1.318(13) . ?
F13_16 C50_16 1.319(13) . ?
F14_16 C50_16 1.301(11) . ?
F15_16 C50_16 1.291(13) . ?
O1_16 C47_16 1.361(10) . ?
C47_16 C48_16 1.525(12) . ?
C47_16 C49_16 1.514(11) . ?
C47_16 C50_16 1.517(11) . ?
F7_17 C48_17 1.318(12) . ?
F8_17 C48_17 1.342(13) . ?
F9_17 C48_17 1.354(13) . ?
F10_17 C49_17 1.347(13) . ?
F11_17 C49_17 1.360(13) . ?
F12_17 C49_17 1.303(13) . ?
F13_17 C50_17 1.330(11) . ?
F14_17 C50_17 1.314(12) . ?
F15_17 C50_17 1.370(13) . ?
O1_17 C47_17 1.358(10) . ?
C47_17 C48_17 1.531(12) . ?
C47_17 C49_17 1.527(12) . ?
C47_17 C50_17 1.505(11) . ?
F7_18 C48_18 1.292(12) . ?
F8_18 C48_18 1.388(13) . ?
F9_18 C48_18 1.301(13) . ?
F10_18 C49_18 1.300(13) . ?
F11_18 C49_18 1.294(13) . ?
F12_18 C49_18 1.310(13) . ?
F13_18 C50_18 1.321(13) . ?
F14_18 C50_18 1.324(12) . ?
F15_18 C50_18 1.283(13) . ?
O1_18 C47_18 1.339(10) . ?
C47_18 C48_18 1.528(12) . ?
C47_18 C49_18 1.496(11) . ?
C47_18 C50_18 1.558(12) . ?
F7_19 C48_19 1.256(12) . ?
F8_19 C48_19 1.366(13) . ?
F9_19 C48_19 1.291(13) . ?
F10_19 C49_19 1.327(13) . ?
F11_19 C49_19 1.359(12) . ?
F12_19 C49_19 1.292(13) . ?
F13_19 C50_19 1.331(13) . ?
F14_19 C50_19 1.337(14) . ?
F15_19 C50_19 1.311(14) . ?
O1_19 C47_19 1.320(11) . ?
C47_19 C48_19 1.541(12) . ?
C47_19 C49_19 1.507(12) . ?
C47_19 C50_19 1.545(12) . ?
F7_20 C48_20 1.298(13) . ?
F8_20 C48_20 1.383(14) . ?
F9_20 C48_20 1.313(14) . ?
F10_20 C49_20 1.315(13) . ?
F11_20 C49_20 1.323(13) . ?
F12_20 C49_20 1.328(13) . ?
F13_20 C50_20 1.330(13) . ?
F14_20 C50_20 1.340(14) . ?
F15_20 C50_20 1.316(13) . ?
O1_20 C47_20 1.354(11) . ?
C47_20 C48_20 1.541(13) . ?
C47_20 C49_20 1.521(12) . ?
C47_20 C50_20 1.519(12) . ?
F7_21 C48_21 1.291(13) . ?
F8_21 C48_21 1.338(14) . ?
F9_21 C48_21 1.318(13) . ?
F10_21 C49_21 1.311(13) . ?
F11_21 C49_21 1.333(13) . ?
F12_21 C49_21 1.318(13) . ?
F13_21 C50_21 1.363(13) . ?
F14_21 C50_21 1.286(12) . ?
F15_21 C50_21 1.309(13) . ?
O1_21 C47_21 1.347(10) . ?
C47_21 C48_21 1.532(12) . ?
C47_21 C49_21 1.505(12) . ?
C47_21 C50_21 1.547(12) . ?
F7_2 C48_2 1.302(13) . ?
F8_2 C48_2 1.359(14) . ?
F9_2 C48_2 1.293(13) . ?
F10_2 C49_2 1.286(13) . ?
F11_2 C49_2 1.336(14) . ?
F12_2 C49_2 1.324(13) . ?
F13_2 C50_2 1.344(13) . ?
F14_2 C50_2 1.343(14) . ?
F15_2 C50_2 1.295(14) . ?
O1_2 C47_2 1.350(11) . ?
C47_2 C48_2 1.526(12) . ?
C47_2 C49_2 1.527(13) . ?
C47_2 C50_2 1.511(12) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 F1 C11 C12 -82.1(9) . . . . ?
Dy1 F1 C11 C16 98.2(9) . . . . ?
Dy1 F2 C17 C18 93.7(7) . . . . ?
Dy1 F2 C17 C22 -87.6(7) . . . . ?
Dy1 F3 C23 C24 52(2) . . . . ?
Dy1 F3 C23 C28 -128.5(17) . . . . ?
Dy1 F4 C29 C30 86.2(16) . . . . ?
Dy1 F4 C29 C34 -94.1(16) . . . . ?
Dy1 F5 C35 C36 69.6(11) . . . . ?
Dy1 F5 C35 C40 -112.7(9) . . . . ?
Dy1 F6 C41 C42 -69.8(9) . . . . ?
Dy1 F6 C41 C46 110.2(7) . . . . ?
Dy1 C1 C2 C3 -67.5(4) . . . . ?
Dy1 C1 C2 C7 118.8(6) . . . . ?
Dy1 C1 C5 C4 67.2(4) . . . . ?
Dy1 C1 C5 C10 -119.8(6) . . . . ?
Dy1 C2 C3 C4 -67.2(4) . . . . ?
Dy1 C2 C3 C8 117.6(6) . . . . ?
Dy1 C3 C4 C5 -66.0(4) . . . . ?
Dy1 C3 C4 C9 117.9(6) . . . . ?
Dy1 C4 C5 C1 -66.5(4) . . . . ?
Dy1 C4 C5 C10 120.5(6) . . . . ?
Al1 O1_4 C47_4 C48_4 -118(5) . . . . ?
Al1 O1_4 C47_4 C49_4 5(5) . . . . ?
Al1 O1_4 C47_4 C50_4 126(5) . . . . ?
Al1 O1_6 C47_6 C48_6 45(3) . . . . ?
Al1 O1_6 C47_6 C49_6 170(2) . . . . ?
Al1 O1_6 C47_6 C50_6 -74(3) . . . . ?
Al1 O1_18 C47_18 C48_18 166(3) . . . . ?
Al1 O1_18 C47_18 C49_18 -74(3) . . . . ?
Al1 O1_18 C47_18 C50_18 49(3) . . . . ?
Al1 O1_20 C47_20 C48_20 70(4) . . . . ?
Al1 O1_20 C47_20 C49_20 -173(3) . . . . ?
Al1 O1_20 C47_20 C50_20 -52(4) . . . . ?
Al1 O1_21 C47_21 C48_21 89(2) . . . . ?
Al1 O1_21 C47_21 C49_21 -150.1(18) . . . . ?
Al1 O1_21 C47_21 C50_21 -30(2) . . . . ?
Al1 O1_2 C47_2 C48_2 -179.4(18) . . . . ?
Al1 O1_2 C47_2 C49_2 -60(2) . . . . ?
Al1 O1_2 C47_2 C50_2 59(2) . . . . ?
Al2 O1_1 C47_1 C48_1 51.1(17) . . . . ?
Al2 O1_1 C47_1 C49_1 168.8(12) . . . . ?
Al2 O1_1 C47_1 C50_1 -61.0(17) . . . . ?
Al2 O1_3 C47_3 C48_3 -58.5(15) . . . . ?
Al2 O1_3 C47_3 C49_3 61.6(14) . . . . ?
Al2 O1_3 C47_3 C50_3 -178.2(10) . . . . ?
Al2 O1_5 C47_5 C48_5 -36(6) . . . . ?
Al2 O1_5 C47_5 C49_5 93(6) . . . . ?
Al2 O1_5 C47_5 C50_5 -154(5) . . . . ?
Al2 O1_19 C47_19 C48_19 70(4) . . . . ?
Al2 O1_19 C47_19 C49_19 -174(4) . . . . ?
Al2 O1_19 C47_19 C50_19 -48(4) . . . . ?
Al3 O1_7 C47_7 C48_7 66(5) . . . . ?
Al3 O1_7 C47_7 C49_7 -168(5) . . . . ?
Al3 O1_7 C47_7 C50_7 -51(5) . . . . ?
Al3 O1_9 C47_9 C48_9 -174(5) . . . . ?
Al3 O1_9 C47_9 C49_9 -51(6) . . . . ?
Al3 O1_9 C47_9 C50_9 65(6) . . . . ?
Al3 O1_12 C47_12 C48_12 164(3) . . . . ?
Al3 O1_12 C47_12 C49_12 -76(3) . . . . ?
Al3 O1_12 C47_12 C50_12 47(3) . . . . ?
Al3 O1_13 C47_13 C48_13 -75(2) . . . . ?
Al3 O1_13 C47_13 C49_13 48(2) . . . . ?
Al3 O1_13 C47_13 C50_13 165.9(15) . . . . ?
Al3 O1_14 C47_14 C48_14 -72(2) . . . . ?
Al3 O1_14 C47_14 C49_14 46(2) . . . . ?
Al3 O1_14 C47_14 C50_14 172.1(19) . . . . ?
Al3 O1_17 C47_17 C48_17 -69(3) . . . . ?
Al3 O1_17 C47_17 C49_17 49(4) . . . . ?
Al3 O1_17 C47_17 C50_17 169(3) . . . . ?
Al4 O1_8 C47_8 C48_8 -88.9(17) . . . . ?
Al4 O1_8 C47_8 C49_8 31.1(19) . . . . ?
Al4 O1_8 C47_8 C50_8 152.5(15) . . . . ?
Al4 O1_10 C47_10 C48_10 -2(9) . . . . ?
Al4 O1_10 C47_10 C49_10 122(9) . . . . ?
Al4 O1_10 C47_10 C50_10 -119(8) . . . . ?
Al4 O1_11 C47_11 C48_11 -60(4) . . . . ?
Al4 O1_11 C47_11 C49_11 64(4) . . . . ?
Al4 O1_11 C47_11 C50_11 -171(4) . . . . ?
Al4 O1_15 C47_15 C48_15 175(2) . . . . ?
Al4 O1_15 C47_15 C49_15 -63(3) . . . . ?
Al4 O1_15 C47_15 C50_15 58(3) . . . . ?
Al4 O1_16 C47_16 C48_16 102(3) . . . . ?
Al4 O1_16 C47_16 C49_16 -137(3) . . . . ?
Al4 O1_16 C47_16 C50_16 -21(4) . . . . ?
F1 C11 C12 C13 178.4(6) . . . . ?
F1 C11 C16 C15 -177.0(7) . . . . ?
F2 C17 C18 C19 -179.6(7) . . . . ?
F2 C17 C22 C21 179.7(7) . . . . ?
F3 C23 C24 C25 -178.8(7) . . . . ?
F3 C23 C28 C27 178.6(7) . . . . ?
F4 C29 C30 C31 179.7(6) . . . . ?
F4 C29 C34 C33 -179.7(6) . . . . ?
F5 C35 C36 C37 -179.2(8) . . . . ?
F5 C35 C40 C39 179.7(7) . . . . ?
F6 C41 C42 C43 178.0(7) . . . . ?
F6 C41 C46 C45 -178.8(7) . . . . ?
F7 Al1 O1_4 C47_4 83(5) . . . . ?
F7 Al1 O1_6 C47_6 112(3) . . . . ?
F7 Al1 O1_18 C47_18 -86(3) . . . . ?
F7 Al1 O1_20 C47_20 -149(3) . . . . ?
F7 Al1 O1_21 C47_21 -122(2) . . . . ?
F7 Al1 O1_2 C47_2 95(2) . . . . ?
F7 Al2 O1_1 C47_1 -119.3(14) . . . . ?
F7 Al2 O1_3 C47_3 -121.6(12) . . . . ?
F7 Al2 O1_5 C47_5 -56(6) . . . . ?
F7 Al2 O1_19 C47_19 -130(4) . . . . ?
F8 Al3 O1_7 C47_7 -102(5) . . . . ?
F8 Al3 O1_9 C47_9 -105(6) . . . . ?
F8 Al3 O1_12 C47_12 -124(3) . . . . ?
F8 Al3 O1_13 C47_13 117.8(18) . . . . ?
F8 Al3 O1_14 C47_14 166(2) . . . . ?
F8 Al3 O1_17 C47_17 40(3) . . . . ?
F8 Al4 O1_8 C47_8 134.7(16) . . . . ?
F8 Al4 O1_10 C47_10 158(9) . . . . ?
F8 Al4 O1_11 C47_11 106(4) . . . . ?
F8 Al4 O1_15 C47_15 20(3) . . . . ?
F8 Al4 O1_16 C47_16 -150(3) . . . . ?
F9 C50 C51 C52 -179.2(9) . . . . ?
C1 C2 C3 Dy1 67.2(4) . . . . ?
C1 C2 C3 C4 0.0(6) . . . . ?
C1 C2 C3 C8 -175.1(5) . . . . ?
C2 C1 C5 Dy1 -67.0(4) . . . . ?
C2 C1 C5 C4 0.2(6) . . . . ?
C2 C1 C5 C10 173.2(5) . . . . ?
C2 C3 C4 Dy1 66.2(4) . . . . ?
C2 C3 C4 C5 0.1(6) . . . . ?
C2 C3 C4 C9 -175.9(6) . . . . ?
C3 C4 C5 Dy1 66.3(4) . . . . ?
C3 C4 C5 C1 -0.2(6) . . . . ?
C3 C4 C5 C10 -173.1(6) . . . . ?
C5 C1 C2 Dy1 67.4(4) . . . . ?
C5 C1 C2 C3 -0.1(6) . . . . ?
C5 C1 C2 C7 -173.8(5) . . . . ?
C6 C1 C2 Dy1 -119.8(6) . . . . ?
C6 C1 C2 C3 172.7(6) . . . . ?
C6 C1 C2 C7 -1.0(9) . . . . ?
C6 C1 C5 Dy1 120.1(6) . . . . ?
C6 C1 C5 C4 -172.7(6) . . . . ?
C6 C1 C5 C10 0.3(9) . . . . ?
C7 C2 C3 Dy1 -118.9(5) . . . . ?
C7 C2 C3 C4 173.8(5) . . . . ?
C7 C2 C3 C8 -1.3(9) . . . . ?
C8 C3 C4 Dy1 -118.6(5) . . . . ?
C8 C3 C4 C5 175.4(5) . . . . ?
C8 C3 C4 C9 -0.7(9) . . . . ?
C9 C4 C5 Dy1 -117.6(6) . . . . ?
C9 C4 C5 C1 175.8(6) . . . . ?
C9 C4 C5 C10 2.9(10) . . . . ?
C11 C12 C13 C14 -0.6(13) . . . . ?
C12 C11 C16 C15 3.2(12) . . . . ?
C12 C13 C14 C15 1.6(17) . . . . ?
C13 C14 C15 C16 -0.1(18) . . . . ?
C14 C15 C16 C11 -2.2(15) . . . . ?
C16 C11 C12 C13 -1.9(11) . . . . ?
C17 C18 C19 C20 -1.7(15) . . . . ?
C18 C17 C22 C21 -1.7(12) . . . . ?
C18 C19 C20 C21 1.6(17) . . . . ?
C19 C20 C21 C22 -1.6(18) . . . . ?
C20 C21 C22 C17 1.5(15) . . . . ?
C22 C17 C18 C19 1.8(12) . . . . ?
C23 C24 C25 C26 0.5(13) . . . . ?
C24 C23 C28 C27 -1.4(12) . . . . ?
C24 C25 C26 C27 -1.9(17) . . . . ?
C25 C26 C27 C28 1.8(19) . . . . ?
C26 C27 C28 C23 -0.1(16) . . . . ?
C28 C23 C24 C25 1.2(13) . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C29 C34 C33 0.0 . . . . ?
C30 C31 C32 C33 0.0 . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C33 C34 C29 0.0 . . . . ?
C34 C29 C30 C31 0.0 . . . . ?
C35 C36 C37 C38 -1.9(16) . . . . ?
C36 C35 C40 C39 -2.7(12) . . . . ?
C36 C37 C38 C39 0.2(19) . . . . ?
C37 C38 C39 C40 0.3(18) . . . . ?
C38 C39 C40 C35 0.8(14) . . . . ?
C40 C35 C36 C37 3.3(13) . . . . ?
C41 C42 C43 C44 1.4(14) . . . . ?
C42 C41 C46 C45 1.2(12) . . . . ?
C42 C43 C44 C45 -0.3(18) . . . . ?
C43 C44 C45 C46 -0.4(19) . . . . ?
C44 C45 C46 C41 0.1(16) . . . . ?
C46 C41 C42 C43 -2.0(12) . . . . ?
C47 C48 C49 C50 0.0 . . . . ?
C48 C47 C52 C51 0.0 . . . . ?
C48 C49 C50 F9 179.2(9) . . . . ?
C48 C49 C50 C51 0.0 . . . . ?
C49 C50 C51 C52 0.0 . . . . ?
C50 C51 C52 C47 0.0 . . . . ?
C52 C47 C48 C49 0.0 . . . . ?
C53 C54 C55 C56 -94(5) . . . . ?
C54 C55 C56 C57 -156(4) . . . . ?
C55 C56 C57 C58 173(4) . . . . ?
O1_1 Al2 O1_3 C47_3 125.4(12) . . . . ?
O1_1 Al2 O1_5 C47_5 60(6) . . . . ?
O1_1 Al2 O1_19 C47_19 -19(4) . . . . ?
O1_1 C47_1 C48_1 F7_1 153.2(11) . . . . ?
O1_1 C47_1 C48_1 F8_1 -73.6(11) . . . . ?
O1_1 C47_1 C48_1 F9_1 40.2(12) . . . . ?
O1_1 C47_1 C49_1 F10_1 171.8(10) . . . . ?
O1_1 C47_1 C49_1 F11_1 -70.7(12) . . . . ?
O1_1 C47_1 C49_1 F12_1 50.5(13) . . . . ?
O1_1 C47_1 C50_1 F13_1 159.5(10) . . . . ?
O1_1 C47_1 C50_1 F14_1 -83.8(14) . . . . ?
O1_1 C47_1 C50_1 F15_1 38.7(16) . . . . ?
C48_1 C47_1 C49_1 F10_1 -70.4(13) . . . . ?
C48_1 C47_1 C49_1 F11_1 47.1(12) . . . . ?
C48_1 C47_1 C49_1 F12_1 168.3(12) . . . . ?
C48_1 C47_1 C50_1 F13_1 44.0(12) . . . . ?
C48_1 C47_1 C50_1 F14_1 160.7(13) . . . . ?
C48_1 C47_1 C50_1 F15_1 -76.8(14) . . . . ?
C49_1 C47_1 C48_1 F7_1 31.6(14) . . . . ?
C49_1 C47_1 C48_1 F8_1 164.8(10) . . . . ?
C49_1 C47_1 C48_1 F9_1 -81.4(11) . . . . ?
C49_1 C47_1 C50_1 F13_1 -69.7(13) . . . . ?
C49_1 C47_1 C50_1 F14_1 47.0(15) . . . . ?
C49_1 C47_1 C50_1 F15_1 169.5(13) . . . . ?
C50_1 C47_1 C48_1 F7_1 -85.6(13) . . . . ?
C50_1 C47_1 C48_1 F8_1 47.6(12) . . . . ?
C50_1 C47_1 C48_1 F9_1 161.4(11) . . . . ?
C50_1 C47_1 C49_1 F10_1 39.9(14) . . . . ?
C50_1 C47_1 C49_1 F11_1 157.4(10) . . . . ?
C50_1 C47_1 C49_1 F12_1 -81.4(13) . . . . ?
O1_3 Al2 O1_1 C47_1 -6.5(15) . . . . ?
O1_3 Al2 O1_5 C47_5 -172(6) . . . . ?
O1_3 Al2 O1_19 C47_19 118(4) . . . . ?
O1_3 C47_3 C48_3 F7_3 167.5(10) . . . . ?
O1_3 C47_3 C48_3 F8_3 -76.0(10) . . . . ?
O1_3 C47_3 C48_3 F9_3 34.1(14) . . . . ?
O1_3 C47_3 C49_3 F10_3 164.5(10) . . . . ?
O1_3 C47_3 C49_3 F11_3 43.0(11) . . . . ?
O1_3 C47_3 C49_3 F12_3 -78.5(10) . . . . ?
O1_3 C47_3 C50_3 F13_3 163.9(9) . . . . ?
O1_3 C47_3 C50_3 F14_3 -77.5(11) . . . . ?
O1_3 C47_3 C50_3 F15_3 47.5(12) . . . . ?
C48_3 C47_3 C49_3 F10_3 -74.4(12) . . . . ?
C48_3 C47_3 C49_3 F11_3 164.0(9) . . . . ?
C48_3 C47_3 C49_3 F12_3 42.6(11) . . . . ?
C48_3 C47_3 C50_3 F13_3 43.5(12) . . . . ?
C48_3 C47_3 C50_3 F14_3 162.1(10) . . . . ?
C48_3 C47_3 C50_3 F15_3 -72.8(12) . . . . ?
C49_3 C47_3 C48_3 F7_3 46.4(12) . . . . ?
C49_3 C47_3 C48_3 F8_3 162.9(9) . . . . ?
C49_3 C47_3 C48_3 F9_3 -86.9(12) . . . . ?
C49_3 C47_3 C50_3 F13_3 -75.5(12) . . . . ?
C49_3 C47_3 C50_3 F14_3 43.1(11) . . . . ?
C49_3 C47_3 C50_3 F15_3 168.2(10) . . . . ?
C50_3 C47_3 C48_3 F7_3 -73.2(13) . . . . ?
C50_3 C47_3 C48_3 F8_3 43.3(11) . . . . ?
C50_3 C47_3 C48_3 F9_3 153.5(11) . . . . ?
C50_3 C47_3 C49_3 F10_3 44.9(12) . . . . ?
C50_3 C47_3 C49_3 F11_3 -76.6(11) . . . . ?
C50_3 C47_3 C49_3 F12_3 161.9(9) . . . . ?
O1_4 Al1 O1_6 C47_6 -129(3) . . . . ?
O1_4 Al1 O1_2 C47_2 -28(3) . . . . ?
O1_4 C47_4 C48_4 F7_4 -162(2) . . . . ?
O1_4 C47_4 C48_4 F8_4 -43.7(19) . . . . ?
O1_4 C47_4 C48_4 F9_4 71.2(19) . . . . ?
O1_4 C47_4 C49_4 F10_4 -152.7(18) . . . . ?
O1_4 C47_4 C49_4 F11_4 78.1(19) . . . . ?
O1_4 C47_4 C49_4 F12_4 -36.7(18) . . . . ?
O1_4 C47_4 C50_4 F13_4 -168.6(19) . . . . ?
O1_4 C47_4 C50_4 F14_4 -48(2) . . . . ?
O1_4 C47_4 C50_4 F15_4 75(2) . . . . ?
C48_4 C47_4 C49_4 F10_4 -28.1(18) . . . . ?
C48_4 C47_4 C49_4 F11_4 -157.3(15) . . . . ?
C48_4 C47_4 C49_4 F12_4 87.9(15) . . . . ?
C48_4 C47_4 C50_4 F13_4 71.1(18) . . . . ?
C48_4 C47_4 C50_4 F14_4 -168.6(17) . . . . ?
C48_4 C47_4 C50_4 F15_4 -45.8(19) . . . . ?
C49_4 C47_4 C48_4 F7_4 73(2) . . . . ?
C49_4 C47_4 C48_4 F8_4 -168.6(15) . . . . ?
C49_4 C47_4 C48_4 F9_4 -53.7(17) . . . . ?
C49_4 C47_4 C50_4 F13_4 -45.8(19) . . . . ?
C49_4 C47_4 C50_4 F14_4 74.5(18) . . . . ?
C49_4 C47_4 C50_4 F15_4 -162.7(17) . . . . ?
C50_4 C47_4 C48_4 F7_4 -45(2) . . . . ?
C50_4 C47_4 C48_4 F8_4 73.3(17) . . . . ?
C50_4 C47_4 C48_4 F9_4 -171.8(15) . . . . ?
C50_4 C47_4 C49_4 F10_4 87.9(17) . . . . ?
C50_4 C47_4 C49_4 F11_4 -41.4(18) . . . . ?
C50_4 C47_4 C49_4 F12_4 -156.1(14) . . . . ?
O1_5 Al2 O1_1 C47_1 120.5(17) . . . . ?
O1_5 Al2 O1_3 C47_3 -0.3(17) . . . . ?
O1_5 C47_5 C48_5 F7_5 -170(2) . . . . ?
O1_5 C47_5 C48_5 F8_5 -52(2) . . . . ?
O1_5 C47_5 C48_5 F9_5 63(2) . . . . ?
O1_5 C47_5 C49_5 F10_5 29(2) . . . . ?
O1_5 C47_5 C49_5 F11_5 -112(2) . . . . ?
O1_5 C47_5 C49_5 F12_5 138(2) . . . . ?
O1_5 C47_5 C50_5 F13_5 180(2) . . . . ?
O1_5 C47_5 C50_5 F14_5 -64(2) . . . . ?
O1_5 C47_5 C50_5 F15_5 61(2) . . . . ?
C48_5 C47_5 C49_5 F10_5 155.9(17) . . . . ?
C48_5 C47_5 C49_5 F11_5 15(2) . . . . ?
C48_5 C47_5 C49_5 F12_5 -95(2) . . . . ?
C48_5 C47_5 C50_5 F13_5 59.2(18) . . . . ?
C48_5 C47_5 C50_5 F14_5 175.1(15) . . . . ?
C48_5 C47_5 C50_5 F15_5 -59.8(18) . . . . ?
C49_5 C47_5 C48_5 F7_5 63(3) . . . . ?
C49_5 C47_5 C48_5 F8_5 -179.2(17) . . . . ?
C49_5 C47_5 C48_5 F9_5 -64(2) . . . . ?
C49_5 C47_5 C50_5 F13_5 -61.1(18) . . . . ?
C49_5 C47_5 C50_5 F14_5 54.8(17) . . . . ?
C49_5 C47_5 C50_5 F15_5 179.9(16) . . . . ?
C50_5 C47_5 C48_5 F7_5 -51(2) . . . . ?
C50_5 C47_5 C48_5 F8_5 67.3(18) . . . . ?
C50_5 C47_5 C48_5 F9_5 -177.9(19) . . . . ?
C50_5 C47_5 C49_5 F10_5 -87.7(18) . . . . ?
C50_5 C47_5 C49_5 F11_5 131.2(17) . . . . ?
C50_5 C47_5 C49_5 F12_5 21(2) . . . . ?
O1_6 Al1 O1_4 C47_4 -31(5) . . . . ?
O1_6 Al1 O1_2 C47_2 -154(2) . . . . ?
O1_6 C47_6 C48_6 F7_6 151.9(17) . . . . ?
O1_6 C47_6 C48_6 F8_6 -79.8(15) . . . . ?
O1_6 C47_6 C48_6 F9_6 27.9(17) . . . . ?
O1_6 C47_6 C49_6 F10_6 164.6(17) . . . . ?
O1_6 C47_6 C49_6 F11_6 -71(2) . . . . ?
O1_6 C47_6 C49_6 F12_6 44(2) . . . . ?
O1_6 C47_6 C50_6 F13_6 156.2(15) . . . . ?
O1_6 C47_6 C50_6 F14_6 -87.3(18) . . . . ?
O1_6 C47_6 C50_6 F15_6 42.6(17) . . . . ?
C48_6 C47_6 C49_6 F10_6 -68.6(18) . . . . ?
C48_6 C47_6 C49_6 F11_6 56(2) . . . . ?
C48_6 C47_6 C49_6 F12_6 171.3(17) . . . . ?
C48_6 C47_6 C50_6 F13_6 33.7(18) . . . . ?
C48_6 C47_6 C50_6 F14_6 150.3(17) . . . . ?
C48_6 C47_6 C50_6 F15_6 -79.9(17) . . . . ?
C49_6 C47_6 C48_6 F7_6 26(2) . . . . ?
C49_6 C47_6 C48_6 F8_6 154.6(13) . . . . ?
C49_6 C47_6 C48_6 F9_6 -97.7(16) . . . . ?
C49_6 C47_6 C50_6 F13_6 -85.1(17) . . . . ?
C49_6 C47_6 C50_6 F14_6 31.5(19) . . . . ?
C49_6 C47_6 C50_6 F15_6 161.3(15) . . . . ?
C50_6 C47_6 C48_6 F7_6 -89.2(18) . . . . ?
C50_6 C47_6 C48_6 F8_6 39.1(16) . . . . ?
C50_6 C47_6 C48_6 F9_6 146.8(14) . . . . ?
C50_6 C47_6 C49_6 F10_6 48.2(19) . . . . ?
C50_6 C47_6 C49_6 F11_6 172.8(19) . . . . ?
C50_6 C47_6 C49_6 F12_6 -72.0(19) . . . . ?
O1_7 Al3 O1_9 C47_9 10(6) . . . . ?
O1_7 Al3 O1_12 C47_12 125(3) . . . . ?
O1_7 C47_7 C48_7 F7_7 -166(2) . . . . ?
O1_7 C47_7 C48_7 F8_7 -48(2) . . . . ?
O1_7 C47_7 C48_7 F9_7 77(2) . . . . ?
O1_7 C47_7 C49_7 F10_7 -171.0(19) . . . . ?
O1_7 C47_7 C49_7 F11_7 66(2) . . . . ?
O1_7 C47_7 C49_7 F12_7 -54(2) . . . . ?
O1_7 C47_7 C50_7 F13_7 -161.2(19) . . . . ?
O1_7 C47_7 C50_7 F14_7 -48.4(19) . . . . ?
O1_7 C47_7 C50_7 F15_7 79(2) . . . . ?
C48_7 C47_7 C49_7 F10_7 -42.0(19) . . . . ?
C48_7 C47_7 C49_7 F11_7 -165.1(17) . . . . ?
C48_7 C47_7 C49_7 F12_7 75(2) . . . . ?
C48_7 C47_7 C50_7 F13_7 76.6(19) . . . . ?
C48_7 C47_7 C50_7 F14_7 -170.6(15) . . . . ?
C48_7 C47_7 C50_7 F15_7 -43.0(19) . . . . ?
C49_7 C47_7 C48_7 F7_7 63(2) . . . . ?
C49_7 C47_7 C48_7 F8_7 -178.1(17) . . . . ?
C49_7 C47_7 C48_7 F9_7 -53.8(19) . . . . ?
C49_7 C47_7 C50_7 F13_7 -36.7(19) . . . . ?
C49_7 C47_7 C50_7 F14_7 76.1(17) . . . . ?
C49_7 C47_7 C50_7 F15_7 -156.3(17) . . . . ?
C50_7 C47_7 C48_7 F7_7 -48(2) . . . . ?
C50_7 C47_7 C48_7 F8_7 70.6(18) . . . . ?
C50_7 C47_7 C48_7 F9_7 -165.1(17) . . . . ?
C50_7 C47_7 C49_7 F10_7 70.4(18) . . . . ?
C50_7 C47_7 C49_7 F11_7 -52.8(18) . . . . ?
C50_7 C47_7 C49_7 F12_7 -172.6(19) . . . . ?
O1_8 Al4 O1_10 C47_10 -90(9) . . . . ?
O1_8 Al4 O1_11 C47_11 -10(5) . . . . ?
O1_8 Al4 O1_15 C47_15 135(2) . . . . ?
O1_8 Al4 O1_16 C47_16 102(3) . . . . ?
O1_8 C47_8 C48_8 F7_8 -179.4(8) . . . . ?
O1_8 C47_8 C48_8 F8_8 -59.1(9) . . . . ?
O1_8 C47_8 C48_8 F9_8 55.4(11) . . . . ?
O1_8 C47_8 C49_8 F10_8 -65.8(9) . . . . ?
O1_8 C47_8 C49_8 F11_8 172.5(7) . . . . ?
O1_8 C47_8 C49_8 F12_8 52.1(10) . . . . ?
O1_8 C47_8 C50_8 F13_8 179.3(8) . . . . ?
O1_8 C47_8 C50_8 F14_8 -61.6(9) . . . . ?
O1_8 C47_8 C50_8 F15_8 61.0(10) . . . . ?
C48_8 C47_8 C49_8 F10_8 56.1(8) . . . . ?
C48_8 C47_8 C49_8 F11_8 -65.6(9) . . . . ?
C48_8 C47_8 C49_8 F12_8 173.9(8) . . . . ?
C48_8 C47_8 C50_8 F13_8 59.2(10) . . . . ?
C48_8 C47_8 C50_8 F14_8 178.3(8) . . . . ?
C48_8 C47_8 C50_8 F15_8 -59.1(10) . . . . ?
C49_8 C47_8 C48_8 F7_8 58.7(10) . . . . ?
C49_8 C47_8 C48_8 F8_8 178.9(8) . . . . ?
C49_8 C47_8 C48_8 F9_8 -66.6(10) . . . . ?
C49_8 C47_8 C50_8 F13_8 -59.1(10) . . . . ?
C49_8 C47_8 C50_8 F14_8 60.0(10) . . . . ?
C49_8 C47_8 C50_8 F15_8 -177.4(8) . . . . ?
C50_8 C47_8 C48_8 F7_8 -61.4(10) . . . . ?
C50_8 C47_8 C48_8 F8_8 58.8(9) . . . . ?
C50_8 C47_8 C48_8 F9_8 173.3(9) . . . . ?
C50_8 C47_8 C49_8 F10_8 174.8(7) . . . . ?
C50_8 C47_8 C49_8 F11_8 53.1(9) . . . . ?
C50_8 C47_8 C49_8 F12_8 -67.4(9) . . . . ?
O1_9 Al3 O1_7 C47_7 141(5) . . . . ?
O1_9 Al3 O1_12 C47_12 -4(3) . . . . ?
O1_9 C47_9 C48_9 F7_9 -165.1(16) . . . . ?
O1_9 C47_9 C48_9 F8_9 -42(2) . . . . ?
O1_9 C47_9 C48_9 F9_9 73.9(18) . . . . ?
O1_9 C47_9 C49_9 F10_9 93(2) . . . . ?
O1_9 C47_9 C49_9 F11_9 -143(2) . . . . ?
O1_9 C47_9 C49_9 F12_9 -23(2) . . . . ?
O1_9 C47_9 C50_9 F13_9 -160(2) . . . . ?
O1_9 C47_9 C50_9 F14_9 -44(2) . . . . ?
O1_9 C47_9 C50_9 F15_9 84(2) . . . . ?
C48_9 C47_9 C49_9 F10_9 -141.7(17) . . . . ?
C48_9 C47_9 C49_9 F11_9 -18(2) . . . . ?
C48_9 C47_9 C49_9 F12_9 102.4(19) . . . . ?
C48_9 C47_9 C50_9 F13_9 77.4(19) . . . . ?
C48_9 C47_9 C50_9 F14_9 -166.4(18) . . . . ?
C48_9 C47_9 C50_9 F15_9 -38.3(19) . . . . ?
C49_9 C47_9 C48_9 F7_9 70.3(17) . . . . ?
C49_9 C47_9 C48_9 F8_9 -166.7(16) . . . . ?
C49_9 C47_9 C48_9 F9_9 -50.7(17) . . . . ?
C49_9 C47_9 C50_9 F13_9 -41(2) . . . . ?
C49_9 C47_9 C50_9 F14_9 75.7(19) . . . . ?
C49_9 C47_9 C50_9 F15_9 -156.2(17) . . . . ?
C50_9 C47_9 C48_9 F7_9 -45.2(18) . . . . ?
C50_9 C47_9 C48_9 F8_9 77.7(18) . . . . ?
C50_9 C47_9 C48_9 F9_9 -166.2(15) . . . . ?
C50_9 C47_9 C49_9 F10_9 -24.1(18) . . . . ?
C50_9 C47_9 C49_9 F11_9 99(2) . . . . ?
C50_9 C47_9 C49_9 F12_9 -139.9(19) . . . . ?
O1_10 Al4 O1_8 C47_8 25.1(19) . . . . ?
O1_10 Al4 O1_11 C47_11 -150(4) . . . . ?
O1_10 C47_10 C48_10 F7_10 177(2) . . . . ?
O1_10 C47_10 C48_10 F8_10 -63(2) . . . . ?
O1_10 C47_10 C48_10 F9_10 46(2) . . . . ?
O1_10 C47_10 C49_10 F10_10 174.8(19) . . . . ?
O1_10 C47_10 C49_10 F11_10 48(2) . . . . ?
O1_10 C47_10 C49_10 F12_10 -64(2) . . . . ?
O1_10 C47_10 C50_10 F13_10 180(2) . . . . ?
O1_10 C47_10 C50_10 F14_10 -57(2) . . . . ?
O1_10 C47_10 C50_10 F15_10 64(2) . . . . ?
C48_10 C47_10 C49_10 F10_10 -61(2) . . . . ?
C48_10 C47_10 C49_10 F11_10 171.9(19) . . . . ?
C48_10 C47_10 C49_10 F12_10 60(2) . . . . ?
C48_10 C47_10 C50_10 F13_10 62(2) . . . . ?
C48_10 C47_10 C50_10 F14_10 -174.7(18) . . . . ?
C48_10 C47_10 C50_10 F15_10 -54(2) . . . . ?
C49_10 C47_10 C48_10 F7_10 49(2) . . . . ?
C49_10 C47_10 C48_10 F8_10 169.5(19) . . . . ?
C49_10 C47_10 C48_10 F9_10 -81(2) . . . . ?
C49_10 C47_10 C50_10 F13_10 -56(2) . . . . ?
C49_10 C47_10 C50_10 F14_10 66.9(19) . . . . ?
C49_10 C47_10 C50_10 F15_10 -172.1(19) . . . . ?
C50_10 C47_10 C48_10 F7_10 -68(2) . . . . ?
C50_10 C47_10 C48_10 F8_10 52(2) . . . . ?
C50_10 C47_10 C48_10 F9_10 161.5(19) . . . . ?
C50_10 C47_10 C49_10 F10_10 57(2) . . . . ?
C50_10 C47_10 C49_10 F11_10 -70(2) . . . . ?
C50_10 C47_10 C49_10 F12_10 178.1(18) . . . . ?
O1_11 Al4 O1_8 C47_8 -108.7(19) . . . . ?
O1_11 Al4 O1_10 C47_10 50(9) . . . . ?
O1_11 C47_11 C48_11 F7_11 168(2) . . . . ?
O1_11 C47_11 C48_11 F8_11 -74(2) . . . . ?
O1_11 C47_11 C48_11 F9_11 38(2) . . . . ?
O1_11 C47_11 C49_11 F10_11 172.1(19) . . . . ?
O1_11 C47_11 C49_11 F11_11 44(2) . . . . ?
O1_11 C47_11 C49_11 F12_11 -78(2) . . . . ?
O1_11 C47_11 C50_11 F13_11 57.7(19) . . . . ?
O1_11 C47_11 C50_11 F14_11 166.2(17) . . . . ?
O1_11 C47_11 C50_11 F15_11 -59(2) . . . . ?
C48_11 C47_11 C49_11 F10_11 -66(2) . . . . ?
C48_11 C47_11 C49_11 F11_11 167(2) . . . . ?
C48_11 C47_11 C49_11 F12_11 44.2(19) . . . . ?
C48_11 C47_11 C50_11 F13_11 -53.9(18) . . . . ?
C48_11 C47_11 C50_11 F14_11 54.5(17) . . . . ?
C48_11 C47_11 C50_11 F15_11 -170.2(19) . . . . ?
C49_11 C47_11 C48_11 F7_11 39(2) . . . . ?
C49_11 C47_11 C48_11 F8_11 157.5(18) . . . . ?
C49_11 C47_11 C48_11 F9_11 -90(2) . . . . ?
C49_11 C47_11 C50_11 F13_11 -174.6(17) . . . . ?
C49_11 C47_11 C50_11 F14_11 -66.2(18) . . . . ?
C49_11 C47_11 C50_11 F15_11 69(2) . . . . ?
C50_11 C47_11 C48_11 F7_11 -83(2) . . . . ?
C50_11 C47_11 C48_11 F8_11 35(2) . . . . ?
C50_11 C47_11 C48_11 F9_11 147.0(18) . . . . ?
C50_11 C47_11 C49_11 F10_11 52(2) . . . . ?
C50_11 C47_11 C49_11 F11_11 -76(2) . . . . ?
C50_11 C47_11 C49_11 F12_11 161.9(16) . . . . ?
O1_12 Al3 O1_7 C47_7 7(5) . . . . ?
O1_12 Al3 O1_9 C47_9 137(6) . . . . ?
O1_12 C47_12 C48_12 F7_12 137.5(19) . . . . ?
O1_12 C47_12 C48_12 F8_12 -95.0(16) . . . . ?
O1_12 C47_12 C48_12 F9_12 16.1(16) . . . . ?
O1_12 C47_12 C49_12 F10_12 159.9(17) . . . . ?
O1_12 C47_12 C49_12 F11_12 29(2) . . . . ?
O1_12 C47_12 C49_12 F12_12 -85.1(19) . . . . ?
O1_12 C47_12 C50_12 F13_12 167.9(17) . . . . ?
O1_12 C47_12 C50_12 F14_12 -78.4(17) . . . . ?
O1_12 C47_12 C50_12 F15_12 47(2) . . . . ?
C48_12 C47_12 C49_12 F10_12 -88.1(18) . . . . ?
C48_12 C47_12 C49_12 F11_12 140.7(17) . . . . ?
C48_12 C47_12 C49_12 F12_12 27(2) . . . . ?
C48_12 C47_12 C50_12 F13_12 58.6(19) . . . . ?
C48_12 C47_12 C50_12 F14_12 172.3(15) . . . . ?
C48_12 C47_12 C50_12 F15_12 -63(2) . . . . ?
C49_12 C47_12 C48_12 F7_12 18(2) . . . . ?
C49_12 C47_12 C48_12 F8_12 145.6(15) . . . . ?
C49_12 C47_12 C48_12 F9_12 -103.3(16) . . . . ?
C49_12 C47_12 C50_12 F13_12 -68.2(19) . . . . ?
C49_12 C47_12 C50_12 F14_12 45.5(18) . . . . ?
C49_12 C47_12 C50_12 F15_12 170.7(18) . . . . ?
C50_12 C47_12 C48_12 F7_12 -107(2) . . . . ?
C50_12 C47_12 C48_12 F8_12 20.4(18) . . . . ?
C50_12 C47_12 C48_12 F9_12 131.5(15) . . . . ?
C50_12 C47_12 C49_12 F10_12 37.5(19) . . . . ?
C50_12 C47_12 C49_12 F11_12 -93.7(19) . . . . ?
C50_12 C47_12 C49_12 F12_12 152.6(18) . . . . ?
O1_13 Al3 O1_14 C47_14 57(2) . . . . ?
O1_13 Al3 O1_17 C47_17 156(3) . . . . ?
O1_13 C47_13 C48_13 F7_13 -166.3(14) . . . . ?
O1_13 C47_13 C48_13 F8_13 -48.5(16) . . . . ?
O1_13 C47_13 C48_13 F9_13 69.7(15) . . . . ?
O1_13 C47_13 C49_13 F10_13 58.1(15) . . . . ?
O1_13 C47_13 C49_13 F11_13 -75.6(13) . . . . ?
O1_13 C47_13 C49_13 F12_13 171.8(12) . . . . ?
O1_13 C47_13 C50_13 F13_13 170.8(11) . . . . ?
O1_13 C47_13 C50_13 F14_13 -74.9(13) . . . . ?
O1_13 C47_13 C50_13 F15_13 47.8(14) . . . . ?
C48_13 C47_13 C49_13 F10_13 -172.5(14) . . . . ?
C48_13 C47_13 C49_13 F11_13 53.8(13) . . . . ?
C48_13 C47_13 C49_13 F12_13 -58.8(14) . . . . ?
C48_13 C47_13 C50_13 F13_13 44.1(13) . . . . ?
C48_13 C47_13 C50_13 F14_13 158.4(12) . . . . ?
C48_13 C47_13 C50_13 F15_13 -79.0(13) . . . . ?
C49_13 C47_13 C48_13 F7_13 68.4(16) . . . . ?
C49_13 C47_13 C48_13 F8_13 -173.9(14) . . . . ?
C49_13 C47_13 C48_13 F9_13 -55.7(15) . . . . ?
C49_13 C47_13 C50_13 F13_13 -69.1(12) . . . . ?
C49_13 C47_13 C50_13 F14_13 45.2(13) . . . . ?
C49_13 C47_13 C50_13 F15_13 167.9(12) . . . . ?
C50_13 C47_13 C48_13 F7_13 -46.2(16) . . . . ?
C50_13 C47_13 C48_13 F8_13 71.6(15) . . . . ?
C50_13 C47_13 C48_13 F9_13 -170.3(13) . . . . ?
C50_13 C47_13 C49_13 F10_13 -59.6(15) . . . . ?
C50_13 C47_13 C49_13 F11_13 166.6(11) . . . . ?
C50_13 C47_13 C49_13 F12_13 54.0(14) . . . . ?
O1_14 Al3 O1_13 C47_13 -138.2(18) . . . . ?
O1_14 Al3 O1_17 C47_17 -72(3) . . . . ?
O1_14 C47_14 C48_14 F7_14 -155.8(12) . . . . ?
O1_14 C47_14 C48_14 F8_14 -34.7(14) . . . . ?
O1_14 C47_14 C48_14 F9_14 82.3(12) . . . . ?
O1_14 C47_14 C49_14 F10_14 -177.0(15) . . . . ?
O1_14 C47_14 C49_14 F11_14 -53.0(15) . . . . ?
O1_14 C47_14 C49_14 F12_14 62.8(15) . . . . ?
O1_14 C47_14 C50_14 F13_14 -166.3(13) . . . . ?
O1_14 C47_14 C50_14 F14_14 -48.1(14) . . . . ?
O1_14 C47_14 C50_14 F15_14 74.6(14) . . . . ?
C48_14 C47_14 C49_14 F10_14 -56.3(16) . . . . ?
C48_14 C47_14 C49_14 F11_14 67.8(14) . . . . ?
C48_14 C47_14 C49_14 F12_14 -176.5(12) . . . . ?
C48_14 C47_14 C50_14 F13_14 74.8(14) . . . . ?
C48_14 C47_14 C50_14 F14_14 -167.0(11) . . . . ?
C48_14 C47_14 C50_14 F15_14 -44.3(13) . . . . ?
C49_14 C47_14 C48_14 F7_14 83.6(14) . . . . ?
C49_14 C47_14 C48_14 F8_14 -155.3(11) . . . . ?
C49_14 C47_14 C48_14 F9_14 -38.2(12) . . . . ?
C49_14 C47_14 C50_14 F13_14 -43.1(16) . . . . ?
C49_14 C47_14 C50_14 F14_14 75.2(14) . . . . ?
C49_14 C47_14 C50_14 F15_14 -162.2(12) . . . . ?
C50_14 C47_14 C48_14 F7_14 -39.9(14) . . . . ?
C50_14 C47_14 C48_14 F8_14 81.2(12) . . . . ?
C50_14 C47_14 C48_14 F9_14 -161.8(10) . . . . ?
C50_14 C47_14 C49_14 F10_14 62.0(17) . . . . ?
C50_14 C47_14 C49_14 F11_14 -173.9(13) . . . . ?
C50_14 C47_14 C49_14 F12_14 -58.2(15) . . . . ?
O1_15 Al4 O1_8 C47_8 13.5(18) . . . . ?
O1_15 Al4 O1_16 C47_16 -24(4) . . . . ?
O1_15 C47_15 C48_15 F7_15 -163.5(13) . . . . ?
O1_15 C47_15 C48_15 F8_15 -36.6(14) . . . . ?
O1_15 C47_15 C48_15 F9_15 77.7(13) . . . . ?
O1_15 C47_15 C49_15 F10_15 -160.1(10) . . . . ?
O1_15 C47_15 C49_15 F11_15 76.5(11) . . . . ?
O1_15 C47_15 C49_15 F12_15 -39.3(14) . . . . ?
O1_15 C47_15 C50_15 F13_15 77.4(13) . . . . ?
O1_15 C47_15 C50_15 F14_15 -156.8(11) . . . . ?
O1_15 C47_15 C50_15 F15_15 -41.8(13) . . . . ?
C48_15 C47_15 C49_15 F10_15 -39.6(13) . . . . ?
C48_15 C47_15 C49_15 F11_15 -163.0(9) . . . . ?
C48_15 C47_15 C49_15 F12_15 81.1(13) . . . . ?
C48_15 C47_15 C50_15 F13_15 -40.0(13) . . . . ?
C48_15 C47_15 C50_15 F14_15 85.7(12) . . . . ?
C48_15 C47_15 C50_15 F15_15 -159.3(10) . . . . ?
C49_15 C47_15 C48_15 F7_15 74.2(14) . . . . ?
C49_15 C47_15 C48_15 F8_15 -159.0(11) . . . . ?
C49_15 C47_15 C48_15 F9_15 -44.6(13) . . . . ?
C49_15 C47_15 C50_15 F13_15 -160.2(11) . . . . ?
C49_15 C47_15 C50_15 F14_15 -34.5(13) . . . . ?
C49_15 C47_15 C50_15 F15_15 80.5(12) . . . . ?
C50_15 C47_15 C48_15 F7_15 -44.3(14) . . . . ?
C50_15 C47_15 C48_15 F8_15 82.6(12) . . . . ?
C50_15 C47_15 C48_15 F9_15 -163.1(11) . . . . ?
C50_15 C47_15 C49_15 F10_15 77.9(12) . . . . ?
C50_15 C47_15 C49_15 F11_15 -45.5(11) . . . . ?
C50_15 C47_15 C49_15 F12_15 -161.4(12) . . . . ?
O1_16 Al4 O1_8 C47_8 -117.7(17) . . . . ?
O1_16 Al4 O1_15 C47_15 -100(2) . . . . ?
O1_16 C47_16 C48_16 F7_16 74.9(16) . . . . ?
O1_16 C47_16 C48_16 F8_16 -163.8(14) . . . . ?
O1_16 C47_16 C48_16 F9_16 -55.4(17) . . . . ?
O1_16 C47_16 C49_16 F10_16 -178.5(14) . . . . ?
O1_16 C47_16 C49_16 F11_16 51.9(16) . . . . ?
O1_16 C47_16 C49_16 F12_16 -63.0(14) . . . . ?
O1_16 C47_16 C50_16 F13_16 61.8(14) . . . . ?
O1_16 C47_16 C50_16 F14_16 177.1(12) . . . . ?
O1_16 C47_16 C50_16 F15_16 -56.5(18) . . . . ?
C48_16 C47_16 C49_16 F10_16 -57.3(15) . . . . ?
C48_16 C47_16 C49_16 F11_16 173.1(13) . . . . ?
C48_16 C47_16 C49_16 F12_16 58.2(13) . . . . ?
C48_16 C47_16 C50_16 F13_16 -62.3(13) . . . . ?
C48_16 C47_16 C50_16 F14_16 53.1(14) . . . . ?
C48_16 C47_16 C50_16 F15_16 179.4(15) . . . . ?
C49_16 C47_16 C48_16 F7_16 -42.6(16) . . . . ?
C49_16 C47_16 C48_16 F8_16 78.8(15) . . . . ?
C49_16 C47_16 C48_16 F9_16 -172.8(14) . . . . ?
C49_16 C47_16 C50_16 F13_16 176.9(11) . . . . ?
C49_16 C47_16 C50_16 F14_16 -67.7(13) . . . . ?
C49_16 C47_16 C50_16 F15_16 58.6(16) . . . . ?
C50_16 C47_16 C48_16 F7_16 -161.6(14) . . . . ?
C50_16 C47_16 C48_16 F8_16 -40.3(16) . . . . ?
C50_16 C47_16 C48_16 F9_16 68.1(16) . . . . ?
C50_16 C47_16 C49_16 F10_16 63.2(14) . . . . ?
C50_16 C47_16 C49_16 F11_16 -66.5(14) . . . . ?
C50_16 C47_16 C49_16 F12_16 178.6(11) . . . . ?
O1_17 Al3 O1_13 C47_13 -2(2) . . . . ?
O1_17 Al3 O1_14 C47_14 -74(2) . . . . ?
O1_17 C47_17 C48_17 F7_17 -154.4(14) . . . . ?
O1_17 C47_17 C48_17 F8_17 -36.4(14) . . . . ?
O1_17 C47_17 C48_17 F9_17 78.6(13) . . . . ?
O1_17 C47_17 C49_17 F10_17 -157.2(14) . . . . ?
O1_17 C47_17 C49_17 F11_17 76.0(15) . . . . ?
O1_17 C47_17 C49_17 F12_17 -42.2(15) . . . . ?
O1_17 C47_17 C50_17 F13_17 -164.3(13) . . . . ?
O1_17 C47_17 C50_17 F14_17 -46.0(16) . . . . ?
O1_17 C47_17 C50_17 F15_17 76.3(13) . . . . ?
C48_17 C47_17 C49_17 F10_17 -39.0(14) . . . . ?
C48_17 C47_17 C49_17 F11_17 -165.8(11) . . . . ?
C48_17 C47_17 C49_17 F12_17 76.0(13) . . . . ?
C48_17 C47_17 C50_17 F13_17 77.2(14) . . . . ?
C48_17 C47_17 C50_17 F14_17 -164.6(11) . . . . ?
C48_17 C47_17 C50_17 F15_17 -42.2(13) . . . . ?
C49_17 C47_17 C48_17 F7_17 84.2(15) . . . . ?
C49_17 C47_17 C48_17 F8_17 -157.8(11) . . . . ?
C49_17 C47_17 C48_17 F9_17 -42.8(13) . . . . ?
C49_17 C47_17 C50_17 F13_17 -41.7(14) . . . . ?
C49_17 C47_17 C50_17 F14_17 76.6(13) . . . . ?
C49_17 C47_17 C50_17 F15_17 -161.1(10) . . . . ?
C50_17 C47_17 C48_17 F7_17 -36.3(17) . . . . ?
C50_17 C47_17 C48_17 F8_17 81.7(13) . . . . ?
C50_17 C47_17 C48_17 F9_17 -163.3(10) . . . . ?
C50_17 C47_17 C49_17 F10_17 83.7(14) . . . . ?
C50_17 C47_17 C49_17 F11_17 -43.1(14) . . . . ?
C50_17 C47_17 C49_17 F12_17 -161.2(11) . . . . ?
O1_18 Al1 O1_20 C47_20 95(3) . . . . ?
O1_18 Al1 O1_21 C47_21 -5(2) . . . . ?
O1_18 C47_18 C48_18 F7_18 82.6(14) . . . . ?
O1_18 C47_18 C48_18 F8_18 -156.3(12) . . . . ?
O1_18 C47_18 C48_18 F9_18 -46.3(16) . . . . ?
O1_18 C47_18 C49_18 F10_18 -39.6(16) . . . . ?
O1_18 C47_18 C49_18 F11_18 77.2(18) . . . . ?
O1_18 C47_18 C49_18 F12_18 -160.2(16) . . . . ?
O1_18 C47_18 C50_18 F13_18 -171.6(14) . . . . ?
O1_18 C47_18 C50_18 F14_18 -61.9(13) . . . . ?
O1_18 C47_18 C50_18 F15_18 82.7(14) . . . . ?
C48_18 C47_18 C49_18 F10_18 80.8(14) . . . . ?
C48_18 C47_18 C49_18 F11_18 -162.3(15) . . . . ?
C48_18 C47_18 C49_18 F12_18 -39.7(18) . . . . ?
C48_18 C47_18 C50_18 F13_18 73.5(15) . . . . ?
C48_18 C47_18 C50_18 F14_18 -176.8(11) . . . . ?
C48_18 C47_18 C50_18 F15_18 -32.2(16) . . . . ?
C49_18 C47_18 C48_18 F7_18 -41.7(16) . . . . ?
C49_18 C47_18 C48_18 F8_18 79.3(13) . . . . ?
C49_18 C47_18 C48_18 F9_18 -170.7(14) . . . . ?
C49_18 C47_18 C50_18 F13_18 -47.9(16) . . . . ?
C49_18 C47_18 C50_18 F14_18 61.8(14) . . . . ?
C49_18 C47_18 C50_18 F15_18 -153.6(13) . . . . ?
C50_18 C47_18 C48_18 F7_18 -166.3(13) . . . . ?
C50_18 C47_18 C48_18 F8_18 -45.2(14) . . . . ?
C50_18 C47_18 C48_18 F9_18 64.8(16) . . . . ?
C50_18 C47_18 C49_18 F10_18 -156.3(12) . . . . ?
C50_18 C47_18 C49_18 F11_18 -39.5(18) . . . . ?
C50_18 C47_18 C49_18 F12_18 83.1(17) . . . . ?
O1_19 Al2 O1_1 C47_1 131.2(16) . . . . ?
O1_19 Al2 O1_3 C47_3 -11.8(15) . . . . ?
O1_19 C47_19 C48_19 F7_19 144.1(15) . . . . ?
O1_19 C47_19 C48_19 F8_19 -99.2(17) . . . . ?
O1_19 C47_19 C48_19 F9_19 16.4(19) . . . . ?
O1_19 C47_19 C49_19 F10_19 -67.6(19) . . . . ?
O1_19 C47_19 C49_19 F11_19 167.9(16) . . . . ?
O1_19 C47_19 C49_19 F12_19 43.4(18) . . . . ?
O1_19 C47_19 C50_19 F13_19 157.3(16) . . . . ?
O1_19 C47_19 C50_19 F14_19 -83.4(17) . . . . ?
O1_19 C47_19 C50_19 F15_19 34(2) . . . . ?
C48_19 C47_19 C49_19 F10_19 50.7(16) . . . . ?
C48_19 C47_19 C49_19 F11_19 -73.8(15) . . . . ?
C48_19 C47_19 C49_19 F12_19 161.6(13) . . . . ?
C48_19 C47_19 C50_19 F13_19 39.2(17) . . . . ?
C48_19 C47_19 C50_19 F14_19 158.5(13) . . . . ?
C48_19 C47_19 C50_19 F15_19 -84.5(16) . . . . ?
C49_19 C47_19 C48_19 F7_19 21.2(16) . . . . ?
C49_19 C47_19 C48_19 F8_19 137.8(15) . . . . ?
C49_19 C47_19 C48_19 F9_19 -106.5(16) . . . . ?
C49_19 C47_19 C50_19 F13_19 -74.3(17) . . . . ?
C49_19 C47_19 C50_19 F14_19 45.1(16) . . . . ?
C49_19 C47_19 C50_19 F15_19 162.0(15) . . . . ?
C50_19 C47_19 C48_19 F7_19 -95.7(15) . . . . ?
C50_19 C47_19 C48_19 F8_19 21.0(16) . . . . ?
C50_19 C47_19 C48_19 F9_19 136.7(16) . . . . ?
C50_19 C47_19 C49_19 F10_19 166.1(14) . . . . ?
C50_19 C47_19 C49_19 F11_19 41.6(16) . . . . ?
C50_19 C47_19 C49_19 F12_19 -83.0(15) . . . . ?
O1_20 Al1 O1_18 C47_18 26(3) . . . . ?
O1_20 Al1 O1_21 C47_21 131(2) . . . . ?
O1_20 C47_20 C48_20 F7_20 159.9(14) . . . . ?
O1_20 C47_20 C48_20 F8_20 -77.7(15) . . . . ?
O1_20 C47_20 C48_20 F9_20 32.5(17) . . . . ?
O1_20 C47_20 C49_20 F10_20 161.2(16) . . . . ?
O1_20 C47_20 C49_20 F11_20 44.2(16) . . . . ?
O1_20 C47_20 C49_20 F12_20 -79.3(17) . . . . ?
O1_20 C47_20 C50_20 F13_20 163.1(15) . . . . ?
O1_20 C47_20 C50_20 F14_20 -81.5(14) . . . . ?
O1_20 C47_20 C50_20 F15_20 37.2(17) . . . . ?
C48_20 C47_20 C49_20 F10_20 -78.6(15) . . . . ?
C48_20 C47_20 C49_20 F11_20 164.4(13) . . . . ?
C48_20 C47_20 C49_20 F12_20 40.9(16) . . . . ?
C48_20 C47_20 C50_20 F13_20 39.6(17) . . . . ?
C48_20 C47_20 C50_20 F14_20 155.0(13) . . . . ?
C48_20 C47_20 C50_20 F15_20 -86.3(15) . . . . ?
C49_20 C47_20 C48_20 F7_20 42.0(16) . . . . ?
C49_20 C47_20 C48_20 F8_20 164.4(12) . . . . ?
C49_20 C47_20 C48_20 F9_20 -85.4(15) . . . . ?
C49_20 C47_20 C50_20 F13_20 -77.1(17) . . . . ?
C49_20 C47_20 C50_20 F14_20 38.3(15) . . . . ?
C49_20 C47_20 C50_20 F15_20 157.0(14) . . . . ?
C50_20 C47_20 C48_20 F7_20 -77.5(16) . . . . ?
C50_20 C47_20 C48_20 F8_20 44.9(14) . . . . ?
C50_20 C47_20 C48_20 F9_20 155.1(13) . . . . ?
C50_20 C47_20 C49_20 F10_20 40.2(17) . . . . ?
C50_20 C47_20 C49_20 F11_20 -76.8(15) . . . . ?
C50_20 C47_20 C49_20 F12_20 159.6(15) . . . . ?
O1_21 Al1 O1_18 C47_18 158(3) . . . . ?
O1_21 Al1 O1_20 C47_20 -38(4) . . . . ?
O1_21 C47_21 C48_21 F7_21 -158.6(14) . . . . ?
O1_21 C47_21 C48_21 F8_21 -41.1(15) . . . . ?
O1_21 C47_21 C48_21 F9_21 75.5(16) . . . . ?
O1_21 C47_21 C49_21 F10_21 -160.1(14) . . . . ?
O1_21 C47_21 C49_21 F11_21 -40.5(16) . . . . ?
O1_21 C47_21 C49_21 F12_21 75.9(17) . . . . ?
O1_21 C47_21 C50_21 F13_21 79.3(12) . . . . ?
O1_21 C47_21 C50_21 F14_21 -161.5(14) . . . . ?
O1_21 C47_21 C50_21 F15_21 -39.4(15) . . . . ?
C48_21 C47_21 C49_21 F10_21 -36.5(17) . . . . ?
C48_21 C47_21 C49_21 F11_21 83.1(14) . . . . ?
C48_21 C47_21 C49_21 F12_21 -160.5(16) . . . . ?
C48_21 C47_21 C50_21 F13_21 -43.4(13) . . . . ?
C48_21 C47_21 C50_21 F14_21 75.8(15) . . . . ?
C48_21 C47_21 C50_21 F15_21 -162.1(13) . . . . ?
C49_21 C47_21 C48_21 F7_21 77.3(16) . . . . ?
C49_21 C47_21 C48_21 F8_21 -165.2(13) . . . . ?
C49_21 C47_21 C48_21 F9_21 -48.6(16) . . . . ?
C49_21 C47_21 C50_21 F13_21 -157.3(11) . . . . ?
C49_21 C47_21 C50_21 F14_21 -38.1(16) . . . . ?
C49_21 C47_21 C50_21 F15_21 84.0(14) . . . . ?
C50_21 C47_21 C48_21 F7_21 -36.9(17) . . . . ?
C50_21 C47_21 C48_21 F8_21 80.6(14) . . . . ?
C50_21 C47_21 C48_21 F9_21 -162.7(14) . . . . ?
C50_21 C47_21 C49_21 F10_21 78.0(16) . . . . ?
C50_21 C47_21 C49_21 F11_21 -162.4(13) . . . . ?
C50_21 C47_21 C49_21 F12_21 -46.0(17) . . . . ?
O1_2 Al1 O1_4 C47_4 -158(4) . . . . ?
O1_2 Al1 O1_6 C47_6 0(3) . . . . ?
O1_2 C47_2 C48_2 F7_2 166.4(15) . . . . ?
O1_2 C47_2 C48_2 F8_2 -76.9(15) . . . . ?
O1_2 C47_2 C48_2 F9_2 41.9(17) . . . . ?
O1_2 C47_2 C49_2 F10_2 166.6(15) . . . . ?
O1_2 C47_2 C49_2 F11_2 -71.7(16) . . . . ?
O1_2 C47_2 C49_2 F12_2 49.3(15) . . . . ?
O1_2 C47_2 C50_2 F13_2 157.2(16) . . . . ?
O1_2 C47_2 C50_2 F14_2 -81.2(16) . . . . ?
O1_2 C47_2 C50_2 F15_2 41.9(18) . . . . ?
C48_2 C47_2 C49_2 F10_2 -74.8(16) . . . . ?
C48_2 C47_2 C49_2 F11_2 46.8(16) . . . . ?
C48_2 C47_2 C49_2 F12_2 167.8(12) . . . . ?
C48_2 C47_2 C50_2 F13_2 36.5(19) . . . . ?
C48_2 C47_2 C50_2 F14_2 158.2(14) . . . . ?
C48_2 C47_2 C50_2 F15_2 -78.8(17) . . . . ?
C49_2 C47_2 C48_2 F7_2 47.9(17) . . . . ?
C49_2 C47_2 C48_2 F8_2 164.7(13) . . . . ?
C49_2 C47_2 C48_2 F9_2 -76.5(16) . . . . ?
C49_2 C47_2 C50_2 F13_2 -83.3(17) . . . . ?
C49_2 C47_2 C50_2 F14_2 38.3(17) . . . . ?
C49_2 C47_2 C50_2 F15_2 161.4(15) . . . . ?
C50_2 C47_2 C48_2 F7_2 -71.5(17) . . . . ?
C50_2 C47_2 C48_2 F8_2 45.2(16) . . . . ?
C50_2 C47_2 C48_2 F9_2 164.1(14) . . . . ?
C50_2 C47_2 C49_2 F10_2 45.6(17) . . . . ?
C50_2 C47_2 C49_2 F11_2 167.2(14) . . . . ?
C50_2 C47_2 C49_2 F12_2 -71.8(14) . . . . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-7.3444 -6.2154 17.1511 0.5788 -0.0017 0.8154
-9.3043 2.5520 -13.4042 0.8351 -0.0024 -0.5500
4.8036 -5.2616 20.2106 -0.4697 0.0014 0.8828
11.6090 1.1557 2.1008 -0.9996 0.0029 0.0273
6.7147 6.3887 -18.0603 -0.5223 0.0015 -0.8528
-5.1788 11.2204 -1.2172 0.3452 -0.7820 -0.5189
-4.6118 0.3443 24.7831 0.2496 -0.5641 0.7871
4.5402 -11.2463 4.8465 -0.3111 0.7049 0.6374
6.5481 -8.6718 -13.2487 -0.4034 0.9132 -0.0580
-1.2932 9.1477 -17.3190 0.1242 -0.2823 -0.9513
4.3490 0.2738 -24.9759 -0.2318 0.5238 -0.8197
3.0128 11.9397 3.7711 -0.3785 -0.8432 -0.3817
2.7200 8.5078 17.6119 -0.3999 -0.8914 0.2131
-2.9747 -10.4074 -12.3626 0.4091 0.9117 0.0377
-2.8719 -12.1564 1.2518 0.3410 0.7594 0.5541
-0.4937 -5.7591 23.1653 -0.0353 -0.0797 0.9962
-1.6005 12.1275 5.8453 -0.0029 -0.9455 -0.3255
-2.0597 5.5187 23.2725 -0.0022 -0.8539 0.5204
1.7753 -11.5972 -9.3801 0.0029 0.9821 0.1883
-7.9172 -9.2778 -0.0976 0.7484 0.5403 0.3847
-8.0495 -6.1555 -12.6142 0.8010 0.5785 -0.1543
8.0775 9.0079 1.8475 -0.7691 -0.5553 -0.3163
