#------------------------------------------------------------------------------
#$Date: 2022-02-04 21:33:08 +0200 (Fri, 04 Feb 2022) $
#$Revision: 272656 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/90/7709055.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_7709055
loop_
_publ_author_name
'Li, Yun-Lan'
'Wang, Hai-Ling'
'Zhu, Zhong-Hong'
'Li, Juan'
'Zou, Hua-Hong'
'Peng, Jin-Mei'
'Liang, Fu-Pei'
_publ_section_title
;
 Truncation reaction regulates the out-to-in growth mechanism to decrypt
 the formation of brucite-like dysprosium clusters.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              197
_journal_page_last               202
_journal_paper_doi               10.1039/d1dt03137f
_journal_volume                  51
_journal_year                    2021
_chemical_formula_moiety         '4(C62 H84 Dy7 N17 O35), 8(Cl)'
_chemical_formula_sum            'C260 H388 Cl8 Dy28 N74 O157'
_chemical_formula_weight         11896.02
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2021-11-18
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-11-21 deposited with the CCDC.	2021-11-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.4542(18)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.1218(4)
_cell_length_b                   19.51008(19)
_cell_length_c                   22.0893(3)
_cell_measurement_reflns_used    13383
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      75.1290
_cell_measurement_theta_min      2.9400
_cell_volume                     10019.8(3)
_computing_cell_refinement       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -14.00  58.00   0.50    2.50    --   46.87 -53.00  -6.00  144
  2  ω     44.00  70.00   0.50    8.00    --  108.56 -61.00 120.00   52
  3  ω     40.00  71.00   0.50    8.00    --  108.56 -61.00  30.00   62
  4  ω     36.00  61.00   0.50    8.00    --  108.56 -61.00   0.00   50
  5  ω     43.00 104.00   0.50    8.00    --  108.56 -94.00 -60.00  122
  6  ω     77.00 105.00   0.50    8.00    --  108.56 -77.00 -60.00   56
  7  ω     36.00  62.00   0.50    8.00    --  108.56 -61.00-150.00   52
  8  ω     37.00  63.00   0.50    8.00    --  108.56 -61.00-120.00   52
  9  ω     36.00  69.00   0.50    8.00    --  108.56 -77.00 -60.00   66
 10  ω     38.00  65.00   0.50    8.00    --  108.56 -61.00 -30.00   54
 11  ω     39.00  69.00   0.50    8.00    --  108.56 -61.00 -60.00   60
 12  ω     97.00 139.00   0.50    8.00    --  108.56  45.00  60.00   84
 13  ω    141.00 173.00   0.50    8.00    --  108.56  45.00  60.00   64
 14  ω    140.00 177.00   0.50    8.00    --  108.56  45.00  90.00   74
 15  ω     95.00 121.00   0.50    8.00    --  108.56  53.00 138.00   52
 16  ω    104.00 129.00   0.50    8.00    --  108.56  45.00  90.00   50
 17  ω     52.00  77.00   0.50    2.50    --   46.87  53.00 138.00   50
 18  ω    -60.00  25.00   0.50    2.50    --  -46.87  53.00 138.00  170
 19  ω    -55.00 -15.00   0.50    8.00    --  -88.50  53.00 138.00   80
 20  ω    -50.00 -16.00   0.50    8.00    --  -88.50  45.00 120.00   68
 21  ω    -49.00 -16.00   0.50    8.00    --  -88.50  45.00  60.00   66
 22  ω    -51.00 -26.00   0.50    8.00    --  -88.50  45.00 -60.00   50
 23  ω    -66.00 -21.00   0.50    8.00    --  -88.50  61.00 -60.00   90
 24  ω    -55.00 -18.00   0.50    8.00    --  -88.50 125.00-150.00   74
 25  ω    -86.00 -60.00   0.50    8.00    --  -88.50 125.00-150.00   52
 26  ω   -119.00 -36.00   0.50    2.50    --  -46.87 -53.00  -6.00  166
 27  ω   -115.00 -86.00   0.50    2.50    --  -46.87-125.00 150.00   58
 28  ω   -160.00 -90.00   0.50    8.00    --  -88.50 -53.00  -6.00  140
 29  ω   -116.00 -91.00   0.50    2.50    --  -46.87-125.00-150.00   50
 30  ω   -157.00 -98.00   0.50    8.00    --  -88.50 -94.00  90.00  118
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0026192000
_diffrn_orient_matrix_UB_12      0.0208210000
_diffrn_orient_matrix_UB_13      -0.0679796000
_diffrn_orient_matrix_UB_21      0.0532705000
_diffrn_orient_matrix_UB_22      0.0458727000
_diffrn_orient_matrix_UB_23      0.0242715000
_diffrn_orient_matrix_UB_31      0.0393000000
_diffrn_orient_matrix_UB_32      -0.0608188000
_diffrn_orient_matrix_UB_33      -0.0049739000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_unetI/netI     0.0355
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.939
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            37561
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.939
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.182
_diffrn_reflns_theta_min         2.957
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    28.640
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.60748
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.80a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.971
_exptl_crystal_description       block
_exptl_crystal_F_000             5706
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.717
_refine_diff_density_min         -0.637
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     567
_refine_ls_number_reflns         9976
_refine_ls_number_restraints     1481
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0513
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0655P)²+99.5197P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1269
_refine_ls_wR_factor_ref         0.1357
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7939
_reflns_number_total             9976
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt03137f2.cif
_cod_data_source_block           20200711-lfp-lj-404
_cod_depositor_comments
'Adding full bibliography for 7709053--7709055.cif.'
_cod_original_cell_volume        10019.7(3)
_cod_database_code               7709055
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C H O N Dy Cl'
_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   0.566
_shelx_estimated_absorpt_t_min   0.489
_diffrn_oxdiff_digest_frames
;
017a23af0f65f6609904cd0249a4c1e80a00026448d
;
_diffrn_oxdiff_digest_hkl
;
01ae87a65a0078709f72ebf0d3c67feca10dab
;
_reflns_odcompleteness_completeness 99.53
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H3 of O3, H2 of O2, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H11 of O11, H12 of O12, All O(H,H) groups
2. Restrained distances
 O11-H11
 0.85 with sigma of 0.01
 O12-H12
 0.85 with sigma of 0.01
 C30-H11
 1.856027 with sigma of 0.02
 Dy4-H11
 2.850602 with sigma of 0.02
 Dy3-H12
 2.971193 with sigma of 0.02
 C31-H12
 1.924662 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.01 and sigma
for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5.a Riding coordinates:
 C31(H31A,H31B,H31C), O23(H23A,H23B)
5.b Ternary CH refined with riding coordinates:
 O2(H2), O3(H3), C12(H12A)
5.c Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C26(H26A,H26B)
5.d Aromatic/amide H refined with riding coordinates:
 N6(H6), C1(H1), C2(H2A), C7(H7), C10(H10), C11(H11A), C13(H13), C17(H17),
 C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25)
5.e Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,
 H30C)
;
_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 1.449
_oxdiff_exptl_absorpt_empirical_full_min 0.766
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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 0.500000 0.29483(3) 0.250000 0.03708(14) Uani 1 2 d S TU P . .
Dy2 Dy 0.46385(2) 0.21018(2) 0.37716(2) 0.03957(12) Uani 1 1 d . U . . .
Dy3 Dy 0.40598(2) 0.37465(2) 0.32781(2) 0.04156(12) Uani 1 1 d D U . . .
Dy4 Dy 0.500000 0.09910(3) 0.250000 0.04231(16) Uani 1 2 d DS TU P . .
Dy5 Dy 0.500000 0.49056(3) 0.250000 0.0628(2) Uani 1 2 d S TU P . .
O1 O 0.4983(2) 0.3246(2) 0.3552(2) 0.0379(10) Uani 1 1 d . U . . .
O2 O 0.4184(2) 0.2642(2) 0.2849(2) 0.0392(11) Uani 1 1 d . U . . .
H2 H 0.385530 0.241990 0.255700 0.047 Uiso 1 1 calc R . . . .
O3 O 0.4711(2) 0.1966(2) 0.1888(2) 0.0384(11) Uani 1 1 d . U . . .
H3 H 0.430333 0.196566 0.165599 0.046 Uiso 1 1 calc R . . . .
O4 O 0.4082(2) 0.2961(2) 0.4068(2) 0.0398(10) Uani 1 1 d . U . . .
O5 O 0.4612(2) 0.4754(2) 0.3323(2) 0.0449(12) Uani 1 1 d . U . . .
O6 O 0.5593(2) 0.3918(2) 0.2640(2) 0.0448(12) Uani 1 1 d . U . . .
O7 O 0.5627(2) 0.1735(3) 0.4400(2) 0.0486(12) Uani 1 1 d . U . . .
O8 O 0.5164(3) 0.2411(3) 0.4860(3) 0.0537(13) Uani 1 1 d . U . . .
O9 O 0.4540(3) 0.1065(2) 0.3278(3) 0.0505(13) Uani 1 1 d . U . . .
N11 N 0.3561(3) 0.1649(3) 0.3388(3) 0.0511(15) Uani 1 1 d . U . . .
O10 O 0.3352(3) 0.4714(3) 0.3098(3) 0.0641(15) Uani 1 1 d . U . . .
N7 N 0.4282(3) 0.4409(3) 0.4276(3) 0.0464(14) Uani 1 1 d . U . . .
O11 O 0.4026(3) 0.0761(3) 0.1922(3) 0.0704(17) Uani 1 1 d D U . . .
H11 H 0.3819(15) 0.1125(17) 0.188(5) 0.106 Uiso 1 1 d DR . . . .
N2 N 0.5602(3) 0.2036(3) 0.4898(3) 0.0533(15) Uani 1 1 d . U . . .
N6 N 0.4439(3) 0.5105(3) 0.4250(3) 0.0478(14) Uani 1 1 d . U . . .
H6 H 0.443976 0.540390 0.453678 0.057 Uiso 1 1 calc R . . . .
O12 O 0.3243(3) 0.3502(3) 0.2318(3) 0.0754(18) Uani 1 1 d D U . . .
H12 H 0.3286(19) 0.313(3) 0.214(3) 0.113 Uiso 1 1 d DR . . . .
O13 O 0.5970(3) 0.1951(4) 0.5396(3) 0.082(2) Uani 1 1 d . U . . .
O14 O 0.3125(3) 0.3808(3) 0.3552(3) 0.0663(16) Uani 1 1 d . U . . .
N10 N 0.4479(3) 0.1094(3) 0.4474(4) 0.0563(16) Uani 1 1 d . U . . .
N5 N 0.4839(4) 0.5991(3) 0.3021(3) 0.0561(16) Uani 1 1 d . U . . .
O15 O 0.5045(3) -0.0195(3) 0.2038(3) 0.0775(18) Uani 1 1 d . U . . .
C1 C 0.4210(4) 0.4242(4) 0.4815(4) 0.0505(17) Uani 1 1 d . U . . .
H1 H 0.428818 0.458052 0.512289 0.061 Uiso 1 1 calc R . . . .
C2 C 0.3692(4) 0.2422(4) 0.4818(4) 0.0524(17) Uani 1 1 d . U . . .
H2A H 0.362404 0.203086 0.456880 0.063 Uiso 1 1 calc R . . . .
N1 N 0.500000 -0.0481(5) 0.250000 0.065(2) Uani 1 2 d S TU P . .
N9 N 0.2997(4) 0.4407(4) 0.3346(4) 0.0713(19) Uani 1 1 d . U . . .
O16 O 0.2543(4) 0.4675(5) 0.3375(5) 0.107(3) Uani 1 1 d . U . . .
C3 C 0.4581(4) 0.5229(4) 0.3734(4) 0.0465(15) Uani 1 1 d . U . . .
C4 C 0.4025(4) 0.3597(4) 0.4992(4) 0.0527(17) Uani 1 1 d . U . . .
C5 C 0.3928(4) 0.2993(4) 0.4602(4) 0.0484(16) Uani 1 1 d . U . . .
C6 C 0.3543(4) 0.0984(4) 0.3232(4) 0.0571(17) Uani 1 1 d . U . . .
C7 C 0.3065(4) 0.1991(4) 0.3251(4) 0.0594(19) Uani 1 1 d . U . . .
H7 H 0.306994 0.245103 0.336356 0.071 Uiso 1 1 calc R . . . .
N8 N 0.3310(4) 0.1826(4) 0.5589(4) 0.0792(19) Uani 1 1 d . U . . .
C8 C 0.4697(4) 0.5943(4) 0.3572(4) 0.0556(17) Uani 1 1 d . U . . .
C9 C 0.3552(5) 0.2408(5) 0.5400(5) 0.071(2) Uani 1 1 d . U . . .
C10 C 0.3038(5) 0.0658(5) 0.2932(5) 0.073(2) Uani 1 1 d . U . . .
H10 H 0.303648 0.019519 0.282939 0.088 Uiso 1 1 calc R . . . .
C11 C 0.4645(5) 0.6511(4) 0.3923(4) 0.065(2) Uani 1 1 d . U . . .
H11A H 0.456361 0.646475 0.430985 0.077 Uiso 1 1 calc R . . . .
C12 C 0.4118(4) 0.0643(4) 0.3420(4) 0.0573(17) Uani 1 1 d . U . . .
H12A H 0.410326 0.019913 0.320844 0.069 Uiso 1 1 calc R . . . .
C13 C 0.4150(5) -0.0065(5) 0.4420(5) 0.072(2) Uani 1 1 d . U . . .
H13 H 0.399617 -0.044472 0.417886 0.086 Uiso 1 1 calc R . . . .
C14 C 0.4916(5) 0.6609(4) 0.2800(4) 0.064(2) Uani 1 1 d . U . . .
C15 C 0.4267(4) 0.0543(4) 0.4136(5) 0.0584(18) Uani 1 1 d . U . . .
C16 C 0.3150(5) 0.1238(6) 0.5189(6) 0.083(3) Uani 1 1 d . U . . .
H16A H 0.340579 0.118499 0.491973 0.100 Uiso 1 1 calc R . . . .
H16B H 0.316731 0.082504 0.543773 0.100 Uiso 1 1 calc R . . . .
C17 C 0.4268(5) -0.0085(5) 0.5066(6) 0.077(2) Uani 1 1 d . U . . .
H17 H 0.419378 -0.048213 0.526416 0.093 Uiso 1 1 calc R . . . .
C18 C 0.2537(5) 0.1694(5) 0.2947(5) 0.072(2) Uani 1 1 d . U . . .
H18 H 0.219771 0.194696 0.285826 0.086 Uiso 1 1 calc R . . . .
C19 C 0.3690(5) 0.2991(5) 0.5790(5) 0.075(2) Uani 1 1 d . U . . .
H19 H 0.363487 0.298630 0.619100 0.090 Uiso 1 1 calc R . . . .
C20 C 0.3903(5) 0.3556(5) 0.5576(5) 0.069(2) Uani 1 1 d . U . . .
H20 H 0.397149 0.394183 0.583309 0.082 Uiso 1 1 calc R . . . .
C21 C 0.4717(5) 0.7150(4) 0.3687(5) 0.074(2) Uani 1 1 d . U . . .
H21 H 0.467013 0.754174 0.390806 0.089 Uiso 1 1 calc R . . . .
O17 O 0.500000 -0.1158(5) 0.250000 0.109(4) Uani 1 2 d S TU P . .
C22 C 0.2536(5) 0.1031(6) 0.2788(6) 0.081(3) Uani 1 1 d . U . . .
H22 H 0.219237 0.082077 0.257741 0.098 Uiso 1 1 calc R . . . .
C23 C 0.4493(5) 0.0472(6) 0.5414(5) 0.077(2) Uani 1 1 d . U . . .
H23 H 0.457761 0.046448 0.584959 0.093 Uiso 1 1 calc R . . . .
C24 C 0.4591(4) 0.1053(5) 0.5097(5) 0.067(2) Uani 1 1 d . U . . .
H24 H 0.474374 0.143634 0.533277 0.080 Uiso 1 1 calc R . . . .
C25 C 0.4857(5) 0.7208(4) 0.3125(5) 0.070(2) Uani 1 1 d . U . . .
H25 H 0.491121 0.763617 0.296441 0.084 Uiso 1 1 calc R . . . .
C26 C 0.3134(7) 0.1833(7) 0.6192(7) 0.102(3) Uani 1 1 d . U . . .
H26A H 0.296202 0.227418 0.623389 0.123 Uiso 1 1 calc R . . . .
H26B H 0.284292 0.148466 0.617065 0.123 Uiso 1 1 calc R . . . .
C27 C 0.3593(9) 0.1716(9) 0.6731(8) 0.143(5) Uani 1 1 d . U . . .
H27A H 0.383028 0.135148 0.664894 0.214 Uiso 1 1 calc GR . . . .
H27B H 0.344252 0.159158 0.707661 0.214 Uiso 1 1 calc GR . . . .
H27C H 0.381908 0.212598 0.683432 0.214 Uiso 1 1 calc GR . . . .
C28 C 0.2594(7) 0.1356(9) 0.4833(8) 0.136(5) Uani 1 1 d . U . . .
H28A H 0.258249 0.176887 0.459438 0.204 Uiso 1 1 calc GR . . . .
H28B H 0.234531 0.140222 0.510544 0.204 Uiso 1 1 calc GR . . . .
H28C H 0.246716 0.097724 0.455240 0.204 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.33028(11) 0.20971(14) 0.15908(13) 0.0799(7) Uani 1 1 d . U . . .
C29 C 0.5452(5) 0.3527(5) 0.4018(4) 0.065(2) Uani 1 1 d . U . . .
H29A H 0.578307 0.323886 0.406599 0.098 Uiso 1 1 calc GR . . . .
H29B H 0.535239 0.355447 0.441021 0.098 Uiso 1 1 calc GR . . . .
H29C H 0.553596 0.397749 0.389202 0.098 Uiso 1 1 calc GR . . . .
C30 C 0.3705(6) 0.0254(7) 0.1582(7) 0.111(4) Uani 1 1 d D U . . .
H30A H 0.360111 0.037646 0.114568 0.167 Uiso 1 1 calc GR . . . .
H30B H 0.336323 0.018966 0.171970 0.167 Uiso 1 1 calc GR . . . .
H30C H 0.392342 -0.016374 0.164064 0.167 Uiso 1 1 calc GR . . . .
C31 C 0.2623(7) 0.3694(9) 0.2078(9) 0.142(6) Uani 1 1 d D U . . .
H31A H 0.256957 0.398998 0.172041 0.214 Uiso 1 1 d R . . . .
H31B H 0.250747 0.392778 0.240701 0.214 Uiso 1 1 d R . . . .
H31C H 0.239467 0.328778 0.196181 0.214 Uiso 1 1 d R . . . .
O23 O 0.4158(4) 0.5221(5) 0.1835(6) 0.173(5) Uani 1 1 d . U . . .
H23A H 0.390613 0.553021 0.189999 0.259 Uiso 1 1 d R . . . .
H23B H 0.399983 0.506441 0.144709 0.259 Uiso 1 1 d R . . . .
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'
Cl Cl 0.3639 0.7018 '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'
N N 0.0311 0.0180 '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_
_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
Dy2 Dy1 Dy2 124.741(19) 2_655 . ?
Dy3 Dy1 Dy2 155.186(11) . 2_655 ?
Dy3 Dy1 Dy2 59.949(9) . . ?
Dy3 Dy1 Dy2 155.187(11) 2_655 . ?
Dy3 Dy1 Dy2 59.949(9) 2_655 2_655 ?
Dy3 Dy1 Dy3 127.957(19) 2_655 . ?
O1 Dy1 Dy2 43.88(10) . . ?
O1 Dy1 Dy2 43.88(10) 2_655 2_655 ?
O1 Dy1 Dy2 160.81(12) . 2_655 ?
O1 Dy1 Dy2 160.81(12) 2_655 . ?
O1 Dy1 Dy3 122.66(11) . 2_655 ?
O1 Dy1 Dy3 122.66(11) 2_655 . ?
O1 Dy1 Dy3 41.30(12) 2_655 2_655 ?
O1 Dy1 Dy3 41.30(12) . . ?
O1 Dy1 O1 152.1(2) . 2_655 ?
O2 Dy1 Dy2 39.51(12) . . ?
O2 Dy1 Dy2 122.56(11) 2_655 . ?
O2 Dy1 Dy2 39.52(12) 2_655 2_655 ?
O2 Dy1 Dy2 122.56(11) . 2_655 ?
O2 Dy1 Dy3 163.69(11) . 2_655 ?
O2 Dy1 Dy3 163.69(11) 2_655 . ?
O2 Dy1 Dy3 42.35(10) 2_655 2_655 ?
O2 Dy1 Dy3 42.35(10) . . ?
O2 Dy1 O1 127.15(17) 2_655 . ?
O2 Dy1 O1 61.15(16) . . ?
O2 Dy1 O1 61.15(16) 2_655 2_655 ?
O2 Dy1 O1 127.15(17) . 2_655 ?
O2 Dy1 O2 150.9(2) . 2_655 ?
O3 Dy1 Dy2 88.74(11) 2_655 2_655 ?
O3 Dy1 Dy2 42.53(11) 2_655 . ?
O3 Dy1 Dy2 42.53(11) . 2_655 ?
O3 Dy1 Dy2 88.74(11) . . ?
O3 Dy1 Dy3 120.54(12) . . ?
O3 Dy1 Dy3 102.11(11) . 2_655 ?
O3 Dy1 Dy3 102.12(11) 2_655 . ?
O3 Dy1 Dy3 120.54(12) 2_655 2_655 ?
O3 Dy1 O1 73.68(15) . 2_655 ?
O3 Dy1 O1 132.51(15) 2_655 2_655 ?
O3 Dy1 O1 73.68(15) 2_655 . ?
O3 Dy1 O1 132.51(15) . . ?
O3 Dy1 O2 75.63(16) 2_655 . ?
O3 Dy1 O2 80.59(16) . . ?
O3 Dy1 O2 75.63(16) . 2_655 ?
O3 Dy1 O2 80.59(16) 2_655 2_655 ?
O3 Dy1 O3 70.2(2) . 2_655 ?
O3 Dy1 O6 120.48(18) . 2_655 ?
O3 Dy1 O6 144.55(17) . . ?
O3 Dy1 O6 144.55(16) 2_655 2_655 ?
O3 Dy1 O6 120.48(18) 2_655 . ?
O6 Dy1 Dy2 122.68(12) . . ?
O6 Dy1 Dy2 122.68(12) 2_655 2_655 ?
O6 Dy1 Dy2 102.08(12) . 2_655 ?
O6 Dy1 Dy2 102.08(12) 2_655 . ?
O6 Dy1 Dy3 42.51(12) 2_655 . ?
O6 Dy1 Dy3 91.63(12) 2_655 2_655 ?
O6 Dy1 Dy3 91.63(12) . . ?
O6 Dy1 Dy3 42.51(12) . 2_655 ?
O6 Dy1 O1 76.42(16) 2_655 . ?
O6 Dy1 O1 76.43(16) . 2_655 ?
O6 Dy1 O1 81.09(16) 2_655 2_655 ?
O6 Dy1 O1 81.09(16) . . ?
O6 Dy1 O2 73.49(17) 2_655 . ?
O6 Dy1 O2 133.68(16) 2_655 2_655 ?
O6 Dy1 O2 133.68(16) . . ?
O6 Dy1 O2 73.49(17) . 2_655 ?
O6 Dy1 O6 72.3(3) . 2_655 ?
Dy3 Dy2 Dy1 59.860(11) . . ?
O1 Dy2 Dy1 42.41(10) . . ?
O1 Dy2 Dy3 41.40(11) . . ?
O1 Dy2 O7 92.66(17) . . ?
O1 Dy2 O8 81.90(17) . . ?
O1 Dy2 N11 125.97(19) . . ?
O1 Dy2 N2 88.50(18) . . ?
O1 Dy2 N10 155.7(2) . . ?
O2 Dy2 Dy1 41.13(12) . . ?
O2 Dy2 Dy3 42.06(11) . . ?
O2 Dy2 O1 61.17(16) . . ?
O2 Dy2 O3 75.49(16) . 2_655 ?
O2 Dy2 O4 75.28(17) . . ?
O2 Dy2 O7 140.94(17) . . ?
O2 Dy2 O8 138.58(17) . . ?
O2 Dy2 N11 71.02(19) . . ?
O2 Dy2 N2 149.24(18) . . ?
O2 Dy2 N10 140.0(2) . . ?
O3 Dy2 Dy1 40.77(10) 2_655 . ?
O3 Dy2 Dy3 100.28(10) 2_655 . ?
O3 Dy2 O1 71.09(14) 2_655 . ?
O3 Dy2 O7 68.37(16) 2_655 . ?
O3 Dy2 O8 111.39(18) 2_655 . ?
O3 Dy2 N11 120.40(18) 2_655 . ?
O3 Dy2 N2 90.63(18) 2_655 . ?
O3 Dy2 N10 119.98(18) 2_655 . ?
O4 Dy2 Dy1 99.61(11) . . ?
O4 Dy2 Dy3 39.94(11) . . ?
O4 Dy2 O1 69.93(15) . . ?
O4 Dy2 O3 139.08(15) . 2_655 ?
O4 Dy2 O7 125.18(17) . . ?
O4 Dy2 O8 74.82(18) . . ?
O4 Dy2 N11 75.13(19) . . ?
O4 Dy2 N2 100.30(18) . . ?
O4 Dy2 N10 100.79(19) . . ?
O7 Dy2 Dy1 99.88(11) . . ?
O7 Dy2 Dy3 131.41(12) . . ?
O7 Dy2 N11 141.37(19) . . ?
O7 Dy2 N2 25.47(17) . . ?
O7 Dy2 N10 74.1(2) . . ?
O8 Dy2 Dy1 118.94(13) . . ?
O8 Dy2 Dy3 97.80(13) . . ?
O8 Dy2 O7 50.95(17) . . ?
O8 Dy2 N11 126.5(2) . . ?
O8 Dy2 N2 25.57(18) . . ?
O8 Dy2 N10 73.9(2) . . ?
O9 Dy2 Dy1 92.89(13) . . ?
O9 Dy2 Dy3 132.22(15) . . ?
O9 Dy2 O1 134.78(16) . . ?
O9 Dy2 O2 91.06(18) . . ?
O9 Dy2 O3 67.51(16) . 2_655 ?
O9 Dy2 O4 140.56(19) . . ?
O9 Dy2 O7 88.6(2) . . ?
O9 Dy2 O8 129.9(2) . . ?
O9 Dy2 N11 65.4(2) . . ?
O9 Dy2 N2 109.1(2) . . ?
O9 Dy2 N10 66.5(2) . . ?
N11 Dy2 Dy1 109.04(14) . . ?
N11 Dy2 Dy3 86.08(14) . . ?
N11 Dy2 N2 138.2(2) . . ?
N2 Dy2 Dy1 112.67(13) . . ?
N2 Dy2 Dy3 117.35(13) . . ?
N10 Dy2 Dy1 158.30(16) . . ?
N10 Dy2 Dy3 139.34(15) . . ?
N10 Dy2 N11 69.6(2) . . ?
N10 Dy2 N2 70.7(2) . . ?
Dy1 Dy3 Dy2 60.191(11) . . ?
O1 Dy3 Dy1 42.37(11) . . ?
O1 Dy3 Dy2 43.95(11) . . ?
O1 Dy3 O2 61.43(16) . . ?
O1 Dy3 O5 81.44(17) . . ?
O1 Dy3 O6 76.01(16) . 2_655 ?
O1 Dy3 O10 155.52(19) . . ?
O1 Dy3 N7 91.24(19) . . ?
O1 Dy3 O12 127.56(19) . . ?
O1 Dy3 O14 144.35(18) . . ?
O1 Dy3 N9 162.8(2) . . ?
O2 Dy3 Dy1 41.70(11) . . ?
O2 Dy3 Dy2 39.78(11) . . ?
O2 Dy3 O6 71.69(15) . 2_655 ?
O2 Dy3 O10 139.8(2) . . ?
O2 Dy3 N7 142.63(18) . . ?
O2 Dy3 O12 69.60(19) . . ?
O2 Dy3 O14 110.80(19) . . ?
O2 Dy3 N9 128.4(2) . . ?
O4 Dy3 Dy1 100.69(11) . . ?
O4 Dy3 Dy2 40.69(11) . . ?
O4 Dy3 O1 72.62(16) . . ?
O4 Dy3 O2 73.92(15) . . ?
O4 Dy3 O5 128.37(18) . . ?
O4 Dy3 O6 141.47(15) . 2_655 ?
O4 Dy3 O10 119.81(18) . . ?
O4 Dy3 N7 73.72(17) . . ?
O4 Dy3 O12 111.4(2) . . ?
O4 Dy3 O14 71.88(19) . . ?
O4 Dy3 N9 95.6(2) . . ?
O5 Dy3 Dy1 87.71(11) . . ?
O5 Dy3 Dy2 124.62(13) . . ?
O5 Dy3 O2 129.41(16) . . ?
O5 Dy3 O6 66.57(16) . 2_655 ?
O5 Dy3 O10 74.45(19) . . ?
O5 Dy3 N7 62.86(18) . . ?
O5 Dy3 O12 119.8(2) . . ?
O5 Dy3 O14 119.11(18) . . ?
O5 Dy3 N9 97.1(2) . . ?
O6 Dy3 Dy1 40.96(11) 2_655 . ?
O6 Dy3 Dy2 100.78(11) 2_655 . ?
O6 Dy3 O10 97.82(18) 2_655 . ?
O6 Dy3 N7 129.12(18) 2_655 . ?
O6 Dy3 O12 71.9(2) 2_655 . ?
O6 Dy3 O14 137.4(2) 2_655 . ?
O6 Dy3 N9 119.3(2) 2_655 . ?
O10 Dy3 Dy1 138.58(14) . . ?
O10 Dy3 Dy2 157.64(14) . . ?
O10 Dy3 O12 70.3(2) . . ?
O10 Dy3 N9 26.1(2) . . ?
N7 Dy3 Dy1 129.96(16) . . ?
N7 Dy3 Dy2 102.89(14) . . ?
N7 Dy3 O10 74.1(2) . . ?
N7 Dy3 O12 141.1(2) . . ?
N7 Dy3 O14 75.8(2) . . ?
N7 Dy3 N9 73.1(2) . . ?
O12 Dy3 Dy1 88.10(17) . . ?
O12 Dy3 Dy2 104.01(15) . . ?
O12 Dy3 N9 68.0(3) . . ?
O14 Dy3 Dy1 151.18(16) . . ?
O14 Dy3 Dy2 106.07(14) . . ?
O14 Dy3 O10 51.58(19) . . ?
O14 Dy3 O12 70.0(2) . . ?
O14 Dy3 N9 25.5(2) . . ?
N9 Dy3 Dy1 154.81(18) . . ?
N9 Dy3 Dy2 131.60(16) . . ?
Dy1 Dy4 Dy2 55.517(9) . . ?
Dy1 Dy4 Dy2 55.516(9) . 2_655 ?
Dy2 Dy4 Dy2 111.033(17) 2_655 . ?
O3 Dy4 Dy1 35.28(11) . . ?
O3 Dy4 Dy1 35.28(11) 2_655 . ?
O3 Dy4 Dy2 82.64(11) . . ?
O3 Dy4 Dy2 37.22(12) 2_655 . ?
O3 Dy4 Dy2 37.21(12) . 2_655 ?
O3 Dy4 Dy2 82.64(11) 2_655 2_655 ?
O3 Dy4 O3 70.6(2) 2_655 . ?
O3 Dy4 O11 124.1(2) . 2_655 ?
O3 Dy4 O11 75.22(19) . . ?
O3 Dy4 O11 124.1(2) 2_655 . ?
O3 Dy4 O11 75.22(19) 2_655 2_655 ?
O3 Dy4 O15 159.6(2) . 2_655 ?
O3 Dy4 O15 123.3(2) 2_655 2_655 ?
O3 Dy4 O15 159.6(2) 2_655 . ?
O3 Dy4 O15 123.3(2) . . ?
O3 Dy4 N1 144.72(11) 2_655 . ?
O3 Dy4 N1 144.72(11) . . ?
O9 Dy4 Dy1 86.39(12) 2_655 . ?
O9 Dy4 Dy1 86.39(12) . . ?
O9 Dy4 Dy2 33.00(12) . . ?
O9 Dy4 Dy2 140.12(12) . 2_655 ?
O9 Dy4 Dy2 33.00(12) 2_655 2_655 ?
O9 Dy4 Dy2 140.12(12) 2_655 . ?
O9 Dy4 O3 104.74(17) 2_655 2_655 ?
O9 Dy4 O3 104.74(17) . . ?
O9 Dy4 O3 69.08(17) 2_655 . ?
O9 Dy4 O3 69.08(17) . 2_655 ?
O9 Dy4 O9 172.8(2) 2_655 . ?
O9 Dy4 O11 102.4(2) 2_655 . ?
O9 Dy4 O11 79.0(2) . . ?
O9 Dy4 O11 102.4(2) . 2_655 ?
O9 Dy4 O11 79.0(2) 2_655 2_655 ?
O9 Dy4 O15 71.0(2) . 2_655 ?
O9 Dy4 O15 116.1(2) . . ?
O9 Dy4 O15 71.0(2) 2_655 . ?
O9 Dy4 O15 116.1(2) 2_655 2_655 ?
O9 Dy4 N1 93.61(12) 2_655 . ?
O9 Dy4 N1 93.61(12) . . ?
O11 Dy4 Dy1 100.80(15) . . ?
O11 Dy4 Dy1 100.80(15) 2_655 . ?
O11 Dy4 Dy2 95.62(17) 2_655 . ?
O11 Dy4 Dy2 95.62(17) . 2_655 ?
O11 Dy4 Dy2 96.56(18) 2_655 2_655 ?
O11 Dy4 Dy2 96.56(17) . . ?
O11 Dy4 O11 158.4(3) . 2_655 ?
O11 Dy4 O15 75.9(2) 2_655 2_655 ?
O11 Dy4 O15 84.4(2) . 2_655 ?
O11 Dy4 O15 75.9(2) . . ?
O11 Dy4 O15 84.4(2) 2_655 . ?
O11 Dy4 N1 79.20(15) 2_655 . ?
O11 Dy4 N1 79.20(15) . . ?
O15 Dy4 Dy1 155.51(16) 2_655 . ?
O15 Dy4 Dy1 155.51(16) . . ?
O15 Dy4 Dy2 100.28(16) . 2_655 ?
O15 Dy4 Dy2 100.28(16) 2_655 . ?
O15 Dy4 Dy2 148.43(16) 2_655 2_655 ?
O15 Dy4 Dy2 148.43(16) . . ?
O15 Dy4 O15 49.0(3) . 2_655 ?
O15 Dy4 N1 24.49(16) 2_655 . ?
O15 Dy4 N1 24.49(16) . . ?
N1 Dy4 Dy1 180.0 . . ?
N1 Dy4 Dy2 124.484(9) . 2_655 ?
N1 Dy4 Dy2 124.483(9) . . ?
Dy1 Dy5 Dy3 54.665(9) . 2_655 ?
Dy1 Dy5 Dy3 54.665(9) . . ?
Dy3 Dy5 Dy3 109.330(18) 2_655 . ?
O5 Dy5 Dy1 82.55(11) 2_655 . ?
O5 Dy5 Dy1 82.55(11) . . ?
O5 Dy5 Dy3 33.20(12) . . ?
O5 Dy5 Dy3 133.37(12) 2_655 . ?
O5 Dy5 Dy3 33.20(12) 2_655 2_655 ?
O5 Dy5 Dy3 133.37(12) . 2_655 ?
O5 Dy5 O5 165.1(2) . 2_655 ?
O5 Dy5 O6 98.81(17) . . ?
O5 Dy5 O6 68.65(17) . 2_655 ?
O5 Dy5 O6 98.81(17) 2_655 2_655 ?
O5 Dy5 O6 68.65(17) 2_655 . ?
O5 Dy5 N5 65.98(18) . . ?
O5 Dy5 N5 128.89(19) . 2_655 ?
O5 Dy5 N5 128.89(19) 2_655 . ?
O5 Dy5 N5 65.97(18) 2_655 2_655 ?
O6 Dy5 Dy1 35.63(12) 2_655 . ?
O6 Dy5 Dy1 35.63(12) . . ?
O6 Dy5 Dy3 35.57(11) 2_655 . ?
O6 Dy5 Dy3 82.72(12) 2_655 2_655 ?
O6 Dy5 Dy3 35.57(11) . 2_655 ?
O6 Dy5 Dy3 82.72(12) . . ?
O6 Dy5 O6 71.3(2) . 2_655 ?
O6 Dy5 N5 126.1(2) . 2_655 ?
O6 Dy5 N5 126.1(2) 2_655 . ?
O6 Dy5 N5 142.6(2) 2_655 2_655 ?
O6 Dy5 N5 142.6(2) . . ?
N5 Dy5 Dy1 148.28(14) . . ?
N5 Dy5 Dy1 148.28(14) 2_655 . ?
N5 Dy5 Dy3 96.23(15) . . ?
N5 Dy5 Dy3 96.23(15) 2_655 2_655 ?
N5 Dy5 Dy3 151.09(17) 2_655 . ?
N5 Dy5 Dy3 151.09(17) . 2_655 ?
N5 Dy5 N5 63.4(3) . 2_655 ?
O23 Dy5 Dy1 105.8(3) 2_655 . ?
O23 Dy5 Dy1 105.8(3) . . ?
O23 Dy5 Dy3 85.2(3) 2_655 2_655 ?
O23 Dy5 Dy3 113.5(4) . 2_655 ?
O23 Dy5 Dy3 113.5(4) 2_655 . ?
O23 Dy5 Dy3 85.2(3) . . ?
O23 Dy5 O5 90.4(4) . 2_655 ?
O23 Dy5 O5 93.7(4) . . ?
O23 Dy5 O5 93.7(4) 2_655 2_655 ?
O23 Dy5 O5 90.4(4) 2_655 . ?
O23 Dy5 O6 74.3(3) 2_655 . ?
O23 Dy5 O6 74.3(3) . 2_655 ?
O23 Dy5 O6 135.7(4) 2_655 2_655 ?
O23 Dy5 O6 135.7(4) . . ?
O23 Dy5 N5 81.1(4) 2_655 2_655 ?
O23 Dy5 N5 81.1(4) . . ?
O23 Dy5 N5 72.0(3) . 2_655 ?
O23 Dy5 N5 72.0(3) 2_655 . ?
O23 Dy5 O23 148.3(5) . 2_655 ?
Dy1 O1 Dy2 93.71(16) . . ?
Dy3 O1 Dy1 96.32(18) . . ?
Dy3 O1 Dy2 94.65(16) . . ?
C29 O1 Dy1 125.2(5) . . ?
C29 O1 Dy2 116.8(4) . . ?
C29 O1 Dy3 122.8(5) . . ?
Dy1 O2 Dy3 95.95(16) . . ?
Dy1 O2 H2 119.5 . . ?
Dy2 O2 Dy1 99.36(19) . . ?
Dy2 O2 Dy3 98.16(17) . . ?
Dy2 O2 H2 119.5 . . ?
Dy3 O2 H2 119.5 . . ?
Dy1 O3 Dy2 96.71(16) . 2_655 ?
Dy1 O3 H3 113.9 . . ?
Dy2 O3 H3 113.9 2_655 . ?
Dy4 O3 Dy1 109.6(2) . . ?
Dy4 O3 Dy2 107.22(18) . 2_655 ?
Dy4 O3 H3 113.9 . . ?
Dy3 O4 Dy2 99.38(17) . . ?
C5 O4 Dy2 126.6(4) . . ?
C5 O4 Dy3 133.1(4) . . ?
Dy5 O5 Dy3 114.9(2) . . ?
C3 O5 Dy3 118.8(4) . . ?
C3 O5 Dy5 124.8(4) . . ?
Dy1 O6 Dy3 96.52(16) . 2_655 ?
Dy1 O6 Dy5 108.2(2) . . ?
Dy5 O6 Dy3 109.60(19) . 2_655 ?
N2 O7 Dy2 95.2(4) . . ?
N2 O8 Dy2 97.2(4) . . ?
Dy2 O9 Dy4 113.9(2) . . ?
C12 O9 Dy2 113.7(4) . . ?
C12 O9 Dy4 131.0(5) . . ?
C6 N11 Dy2 111.5(6) . . ?
C7 N11 Dy2 130.4(5) . . ?
C7 N11 C6 117.4(8) . . ?
N9 O10 Dy3 94.9(5) . . ?
N6 N7 Dy3 117.4(4) . . ?
C1 N7 Dy3 129.5(5) . . ?
C1 N7 N6 112.5(6) . . ?
Dy4 O11 H11 111.3(15) . . ?
C30 O11 Dy4 140.1(7) . . ?
C30 O11 H11 108.1(16) . . ?
O7 N2 Dy2 59.3(4) . . ?
O7 N2 O8 116.3(7) . . ?
O8 N2 Dy2 57.2(4) . . ?
O13 N2 Dy2 172.4(6) . . ?
O13 N2 O7 121.9(7) . . ?
O13 N2 O8 121.8(7) . . ?
N7 N6 H6 124.8 . . ?
C3 N6 N7 110.5(6) . . ?
C3 N6 H6 124.8 . . ?
Dy3 O12 H12 112.8(17) . . ?
C31 O12 Dy3 137.2(8) . . ?
C31 O12 H12 107(2) . . ?
N9 O14 Dy3 96.2(5) . . ?
C15 N10 Dy2 111.9(6) . . ?
C15 N10 C24 118.2(8) . . ?
C24 N10 Dy2 129.9(6) . . ?
C8 N5 Dy5 117.7(5) . . ?
C14 N5 Dy5 123.1(5) . . ?
C14 N5 C8 119.1(7) . . ?
N1 O15 Dy4 93.5(6) . . ?
N7 C1 H1 116.4 . . ?
N7 C1 C4 127.3(7) . . ?
C4 C1 H1 116.4 . . ?
C5 C2 H2A 118.5 . . ?
C5 C2 C9 123.1(8) . . ?
C9 C2 H2A 118.5 . . ?
O15 N1 Dy4 62.1(6) . . ?
O15 N1 Dy4 62.1(6) 2_655 . ?
O15 N1 O15 124.1(11) 2_655 . ?
O15 N1 O17 117.9(6) 2_655 . ?
O15 N1 O17 117.9(6) . . ?
O17 N1 Dy4 180.0 . . ?
O10 N9 Dy3 59.1(4) . . ?
O14 N9 Dy3 58.3(4) . . ?
O14 N9 O10 117.3(7) . . ?
O16 N9 Dy3 178.9(7) . . ?
O16 N9 O10 121.9(8) . . ?
O16 N9 O14 120.7(8) . . ?
O5 C3 C8 116.6(6) . . ?
N6 C3 O5 123.5(7) . . ?
N6 C3 C8 119.9(6) . . ?
C1 C4 C5 124.8(7) . . ?
C20 C4 C1 117.5(7) . . ?
C20 C4 C5 117.7(7) . . ?
O4 C5 C2 120.2(7) . . ?
O4 C5 C4 122.0(7) . . ?
C2 C5 C4 117.7(7) . . ?
N11 C6 C10 122.4(9) . . ?
N11 C6 C12 113.2(7) . . ?
C10 C6 C12 124.4(8) . . ?
N11 C7 H7 118.3 . . ?
N11 C7 C18 123.3(8) . . ?
C18 C7 H7 118.3 . . ?
C9 N8 C16 122.3(8) . . ?
C9 N8 C26 119.9(9) . . ?
C16 N8 C26 117.3(8) . . ?
N5 C8 C3 113.1(6) . . ?
N5 C8 C11 122.2(7) . . ?
C11 C8 C3 124.6(7) . . ?
N8 C9 C2 120.6(9) . . ?
N8 C9 C19 121.6(9) . . ?
C19 C9 C2 117.7(8) . . ?
C6 C10 H10 120.7 . . ?
C22 C10 C6 118.5(9) . . ?
C22 C10 H10 120.7 . . ?
C8 C11 H11A 120.9 . . ?
C8 C11 C21 118.3(8) . . ?
C21 C11 H11A 120.9 . . ?
O9 C12 C6 110.5(7) . . ?
O9 C12 H12A 110.3 . . ?
O9 C12 C15 108.6(7) . . ?
C6 C12 H12A 110.3 . . ?
C6 C12 C15 106.7(7) . . ?
C15 C12 H12A 110.3 . . ?
C15 C13 H13 120.8 . . ?
C17 C13 H13 120.8 . . ?
C17 C13 C15 118.4(10) . . ?
N5 C14 C14 115.1(5) . 2_655 ?
N5 C14 C25 121.7(8) . . ?
C25 C14 C14 123.1(5) . 2_655 ?
N10 C15 C12 115.1(7) . . ?
N10 C15 C13 121.6(9) . . ?
C13 C15 C12 123.2(9) . . ?
N8 C16 H16A 110.5 . . ?
N8 C16 H16B 110.5 . . ?
H16A C16 H16B 108.7 . . ?
C28 C16 N8 106.2(12) . . ?
C28 C16 H16A 110.5 . . ?
C28 C16 H16B 110.5 . . ?
C13 C17 H17 119.9 . . ?
C23 C17 C13 120.2(9) . . ?
C23 C17 H17 119.9 . . ?
C7 C18 H18 121.2 . . ?
C22 C18 C7 117.6(10) . . ?
C22 C18 H18 121.2 . . ?
C9 C19 H19 120.2 . . ?
C20 C19 C9 119.5(9) . . ?
C20 C19 H19 120.2 . . ?
C4 C20 H20 118.0 . . ?
C19 C20 C4 124.0(9) . . ?
C19 C20 H20 118.0 . . ?
C11 C21 H21 119.9 . . ?
C25 C21 C11 120.1(8) . . ?
C25 C21 H21 119.9 . . ?
C10 C22 H22 119.7 . . ?
C18 C22 C10 120.7(10) . . ?
C18 C22 H22 119.7 . . ?
C17 C23 H23 121.1 . . ?
C17 C23 C24 117.8(11) . . ?
C24 C23 H23 121.1 . . ?
N10 C24 C23 123.8(11) . . ?
N10 C24 H24 118.1 . . ?
C23 C24 H24 118.1 . . ?
C14 C25 H25 120.8 . . ?
C21 C25 C14 118.5(8) . . ?
C21 C25 H25 120.8 . . ?
N8 C26 H26A 108.8 . . ?
N8 C26 H26B 108.8 . . ?
H26A C26 H26B 107.7 . . ?
C27 C26 N8 113.7(13) . . ?
C27 C26 H26A 108.8 . . ?
C27 C26 H26B 108.8 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C16 C28 H28A 109.5 . . ?
C16 C28 H28B 109.5 . . ?
C16 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O1 C29 H29A 109.5 . . ?
O1 C29 H29B 109.5 . . ?
O1 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O11 C30 H30A 109.5 . . ?
O11 C30 H30B 109.5 . . ?
O11 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O12 C31 H31A 110.2 . . ?
O12 C31 H31B 108.4 . . ?
O12 C31 H31C 109.8 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.4 . . ?
Dy5 O23 H23A 127.8 . . ?
Dy5 O23 H23B 127.8 . . ?
H23A O23 H23B 104.4 . . ?
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 Dy2 3.5614(4) 2_655 ?
Dy1 Dy2 3.5615(4) . ?
Dy1 Dy3 3.5496(5) 2_655 ?
Dy1 Dy3 3.5496(5) . ?
Dy1 O1 2.407(4) 2_655 ?
Dy1 O1 2.407(4) . ?
Dy1 O2 2.374(5) . ?
Dy1 O2 2.374(5) 2_655 ?
Dy1 O3 2.342(4) . ?
Dy1 O3 2.342(4) 2_655 ?
Dy1 O6 2.342(5) 2_655 ?
Dy1 O6 2.342(5) . ?
Dy2 Dy3 3.5528(5) . ?
Dy2 O1 2.474(4) . ?
Dy2 O2 2.297(5) . ?
Dy2 O3 2.424(5) 2_655 ?
Dy2 O4 2.348(4) . ?
Dy2 O7 2.522(6) . ?
Dy2 O8 2.475(6) . ?
Dy2 O9 2.281(5) . ?
Dy2 N11 2.661(7) . ?
Dy2 N10 2.597(6) . ?
Dy3 O1 2.357(5) . ?
Dy3 O2 2.404(4) . ?
Dy3 O4 2.312(5) . ?
Dy3 O5 2.361(5) . ?
Dy3 O6 2.414(5) 2_655 ?
Dy3 O10 2.505(6) . ?
Dy3 N7 2.487(6) . ?
Dy3 O12 2.526(7) . ?
Dy3 O14 2.489(6) . ?
Dy4 O3 2.331(4) . ?
Dy4 O3 2.331(4) 2_655 ?
Dy4 O9 2.285(5) 2_655 ?
Dy4 O9 2.285(5) . ?
Dy4 O11 2.397(6) . ?
Dy4 O11 2.398(7) 2_655 ?
Dy4 O15 2.542(6) 2_655 ?
Dy4 O15 2.542(6) . ?
Dy5 O5 2.276(5) 2_655 ?
Dy5 O5 2.276(5) . ?
Dy5 O6 2.371(5) . ?
Dy5 O6 2.371(5) 2_655 ?
Dy5 N5 2.490(6) 2_655 ?
Dy5 N5 2.490(6) . ?
Dy5 O23 2.251(8) 2_655 ?
Dy5 O23 2.251(8) . ?
O1 C29 1.421(11) . ?
O2 H2 0.9800 . ?
O3 H3 0.9800 . ?
O4 C5 1.329(9) . ?
O5 C3 1.313(8) . ?
O7 N2 1.261(8) . ?
O8 N2 1.271(9) . ?
O9 C12 1.407(9) . ?
N11 C6 1.340(10) . ?
N11 C7 1.334(11) . ?
O10 N9 1.282(10) . ?
N7 N6 1.414(8) . ?
N7 C1 1.291(9) . ?
O11 H11 0.860(10) . ?
O11 C30 1.353(13) . ?
N2 O13 1.226(10) . ?
N6 H6 0.8600 . ?
N6 C3 1.299(9) . ?
O12 H12 0.851(10) . ?
O12 C31 1.493(17) . ?
O14 N9 1.261(9) . ?
N10 C15 1.331(11) . ?
N10 C24 1.332(12) . ?
N5 C8 1.352(10) . ?
N5 C14 1.331(10) . ?
O15 N1 1.193(8) . ?
C1 H1 0.9300 . ?
C1 C4 1.425(11) . ?
C2 H2A 0.9300 . ?
C2 C5 1.393(10) . ?
C2 C9 1.413(12) . ?
N1 O17 1.320(14) . ?
N9 O16 1.229(10) . ?
C3 C8 1.482(10) . ?
C4 C5 1.442(11) . ?
C4 C20 1.400(11) . ?
C6 C10 1.377(13) . ?
C6 C12 1.495(13) . ?
C7 H7 0.9300 . ?
C7 C18 1.398(13) . ?
N8 C9 1.391(12) . ?
N8 C16 1.437(14) . ?
N8 C26 1.503(14) . ?
C8 C11 1.378(11) . ?
C9 C19 1.411(14) . ?
C10 H10 0.9300 . ?
C10 C22 1.376(15) . ?
C11 H11A 0.9300 . ?
C11 C21 1.380(12) . ?
C12 H12A 0.9800 . ?
C12 C15 1.538(13) . ?
C13 H13 0.9300 . ?
C13 C15 1.406(12) . ?
C13 C17 1.378(15) . ?
C14 C14 1.487(17) 2_655 ?
C14 C25 1.398(12) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C28 1.380(19) . ?
C17 H17 0.9300 . ?
C17 C23 1.359(16) . ?
C18 H18 0.9300 . ?
C18 C22 1.340(14) . ?
C19 H19 0.9300 . ?
C19 C20 1.354(12) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C21 C25 1.376(13) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C23 C24 1.384(12) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C27 1.41(2) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9601 . ?
C31 H31B 0.9603 . ?
C31 H31C 0.9602 . ?
O23 H23A 0.8949 . ?
O23 H23B 0.8945 . ?
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
Dy2 O4 C5 C2 -48.4(11) . . . . ?
Dy2 O4 C5 C4 128.1(7) . . . . ?
Dy2 O7 N2 O8 -6.0(7) . . . . ?
Dy2 O7 N2 O13 171.2(7) . . . . ?
Dy2 O8 N2 O7 6.1(7) . . . . ?
Dy2 O8 N2 O13 -171.1(7) . . . . ?
Dy2 O9 C12 C6 59.8(8) . . . . ?
Dy2 O9 C12 C15 -56.9(7) . . . . ?
Dy2 N11 C6 C10 -170.1(7) . . . . ?
Dy2 N11 C6 C12 10.4(9) . . . . ?
Dy2 N11 C7 C18 168.0(7) . . . . ?
Dy2 N10 C15 C12 -5.0(9) . . . . ?
Dy2 N10 C15 C13 179.7(7) . . . . ?
Dy2 N10 C24 C23 -178.7(7) . . . . ?
Dy3 O4 C5 C2 145.0(6) . . . . ?
Dy3 O4 C5 C4 -38.6(12) . . . . ?
Dy3 O5 C3 N6 24.9(11) . . . . ?
Dy3 O5 C3 C8 -152.7(6) . . . . ?
Dy3 O10 N9 O14 -0.7(9) . . . . ?
Dy3 O10 N9 O16 -179.5(10) . . . . ?
Dy3 N7 N6 C3 -16.5(8) . . . . ?
Dy3 N7 C1 C4 5.8(14) . . . . ?
Dy3 O14 N9 O10 0.7(9) . . . . ?
Dy3 O14 N9 O16 179.5(9) . . . . ?
Dy4 O9 C12 C6 -105.6(7) . . . . ?
Dy4 O9 C12 C15 137.6(6) . . . . ?
Dy4 O15 N1 O15 -0.001(1) . . . 2_655 ?
Dy4 O15 N1 O17 180.000(1) . . . . ?
Dy5 O5 C3 N6 -169.1(6) . . . . ?
Dy5 O5 C3 C8 13.2(11) . . . . ?
Dy5 N5 C8 C3 -8.0(11) . . . . ?
Dy5 N5 C8 C11 174.6(8) . . . . ?
Dy5 N5 C14 C14 2.4(17) . . . 2_655 ?
Dy5 N5 C14 C25 -175.9(8) . . . . ?
O5 C3 C8 N5 -2.2(12) . . . . ?
O5 C3 C8 C11 175.2(9) . . . . ?
O9 C12 C15 N10 38.2(10) . . . . ?
O9 C12 C15 C13 -146.6(8) . . . . ?
N11 C6 C10 C22 0.1(15) . . . . ?
N11 C6 C12 O9 -43.6(10) . . . . ?
N11 C6 C12 C15 74.4(8) . . . . ?
N11 C7 C18 C22 0.0(16) . . . . ?
N7 N6 C3 O5 -4.5(12) . . . . ?
N7 N6 C3 C8 173.1(8) . . . . ?
N7 C1 C4 C5 5.2(16) . . . . ?
N7 C1 C4 C20 -171.6(9) . . . . ?
N6 N7 C1 C4 176.6(8) . . . . ?
N6 C3 C8 N5 -179.9(8) . . . . ?
N6 C3 C8 C11 -2.6(15) . . . . ?
N5 C8 C11 C21 2.9(16) . . . . ?
N5 C14 C25 C21 0.1(18) . . . . ?
C1 N7 N6 C3 171.5(8) . . . . ?
C1 C4 C5 O4 9.7(14) . . . . ?
C1 C4 C5 C2 -173.7(9) . . . . ?
C1 C4 C20 C19 175.8(11) . . . . ?
C2 C9 C19 C20 5.6(17) . . . . ?
C3 C8 C11 C21 -174.2(10) . . . . ?
C5 C2 C9 N8 179.1(10) . . . . ?
C5 C2 C9 C19 -3.7(16) . . . . ?
C5 C4 C20 C19 -1.2(17) . . . . ?
C6 N11 C7 C18 -1.2(13) . . . . ?
C6 C10 C22 C18 -1.3(17) . . . . ?
C6 C12 C15 N10 -81.0(9) . . . . ?
C6 C12 C15 C13 94.3(10) . . . . ?
C7 N11 C6 C10 1.1(13) . . . . ?
C7 N11 C6 C12 -178.4(8) . . . . ?
C7 C18 C22 C10 1.3(17) . . . . ?
N8 C9 C19 C20 -177.3(11) . . . . ?
C8 N5 C14 C14 178.7(11) . . . 2_655 ?
C8 N5 C14 C25 0.4(16) . . . . ?
C8 C11 C21 C25 -2.3(18) . . . . ?
C9 C2 C5 O4 176.0(9) . . . . ?
C9 C2 C5 C4 -0.6(14) . . . . ?
C9 N8 C16 C28 -87.6(14) . . . . ?
C9 N8 C26 C27 -81.8(16) . . . . ?
C9 C19 C20 C4 -3.2(19) . . . . ?
C10 C6 C12 O9 136.8(9) . . . . ?
C10 C6 C12 C15 -105.2(10) . . . . ?
C11 C21 C25 C14 0.9(18) . . . . ?
C12 C6 C10 C22 179.6(10) . . . . ?
C13 C17 C23 C24 0.6(16) . . . . ?
C14 N5 C8 C3 175.5(9) . . . . ?
C14 N5 C8 C11 -1.9(15) . . . . ?
C14 C14 C25 C21 -178.0(14) 2_655 . . . ?
C15 N10 C24 C23 -0.9(14) . . . . ?
C15 C13 C17 C23 0.0(16) . . . . ?
C16 N8 C9 C2 -5.1(17) . . . . ?
C16 N8 C9 C19 177.8(11) . . . . ?
C16 N8 C26 C27 106.2(15) . . . . ?
C17 C13 C15 N10 -1.1(14) . . . . ?
C17 C13 C15 C12 -176.0(9) . . . . ?
C17 C23 C24 N10 -0.1(16) . . . . ?
C20 C4 C5 O4 -173.5(9) . . . . ?
C20 C4 C5 C2 3.0(13) . . . . ?
C24 N10 C15 C12 176.8(8) . . . . ?
C24 N10 C15 C13 1.5(13) . . . . ?
C26 N8 C9 C2 -176.7(11) . . . . ?
C26 N8 C9 C19 6.3(18) . . . . ?
C26 N8 C16 C28 84.1(14) . . . . ?
