#------------------------------------------------------------------------------
#$Date: 2024-04-05 02:43:18 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290994 $
#$URL: svn://www.crystallography.net/cod/cif/7/71/51/7715178.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_7715178
loop_
_publ_author_name
'Xie, Jia-Nan'
'Li, Yun-Lan'
'Wang, Hai-Ling'
'Xiao, Zi-Xin'
'Zhu, Zhong-Hong'
'Liang, Fu-Pei'
'Zou, Hua-Hong'
_publ_section_title
;
 Different anion (NO₃⁻ and
 OAc⁻)-controlled construction of dysprosium clusters with
 different shapes.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5665
_journal_page_last               5675
_journal_paper_doi               10.1039/d3dt03314g
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety
'C92 H76 Dy5 N9 O37, C2 H3 N, 0.5[2[CH3CN],20[H2O]]'
_chemical_formula_sum            'C94 H79 Dy5 N10 O37'
_chemical_formula_weight         2753.17
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2024-01-20
_audit_creation_method
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_audit_update_record
;
2024-01-31 deposited with the CCDC.	2024-02-16 downloaded from the CCDC.
;
_cell_angle_alpha                101.263(2)
_cell_angle_beta                 98.069(2)
_cell_angle_gamma                97.087(2)
_cell_formula_units_Z            2
_cell_length_a                   16.3885(3)
_cell_length_b                   16.4444(4)
_cell_length_c                   20.8387(5)
_cell_measurement_reflns_used    41691
_cell_measurement_temperature    100.00(11)
_cell_measurement_theta_max      76.3540
_cell_measurement_theta_min      2.7690
_cell_volume                     5387.2(2)
_computing_cell_refinement       'CrysAlisPro 1.171.43.95a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.43.95a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.43.95a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -69.00  24.00   0.50    5.00    --  -47.39  74.00   8.00  186
  2  ω   -108.00 -25.00   0.50    5.00    --  -47.39 -74.00-119.00  166
  3  ω    -24.00  32.00   0.50    5.00    --   47.39 -74.00-119.00  112
  4  ω     59.00  93.00   0.50    5.00    --   47.39  74.00   8.00   68
  5  ω   -158.00 -73.00   0.50    5.00    --  -91.75 -74.00-119.00  170
  6  ω    -87.00 -62.00   0.50    5.00    --  -91.75  74.00   8.00   50
  7  ω     86.00 165.00   0.50    5.00    --  108.42  74.00   8.00  158
  8  ω     36.00  77.00   0.50    5.00    --  108.42 -74.00-119.00   82
  9  ω    -31.00   5.00   0.50    5.00    --  -47.39  37.00 -60.00   72
 10  ω   -117.00 -77.00   0.50    5.00    --  -47.39-125.00 -60.00   80
 11  ω    -13.00  26.00   0.50    5.00    --   47.39 -19.00-120.00   78
 12  ω     35.00  88.00   0.50    5.00    --   47.39-125.00 120.00  106
 13  ω    -48.00 -22.00   0.50    5.00    --  -91.75  45.00 -60.00   52
 14  ω    -51.00 -23.00   0.50    5.00    --  -91.75  45.00-180.00   56
 15  ω   -159.00-102.00   0.50    5.00    --  -91.75 -94.00 -60.00  114
 16  ω    -69.00 -27.00   0.50    5.00    --  -91.75  61.00-180.00   84
 17  ω    -56.00 -20.00   0.50    5.00    --  -91.75  61.00-150.00   72
 18  ω    -47.00 -21.00   0.50    5.00    --  -91.75  45.00-150.00   52
 19  ω   -154.00 -77.00   0.50    5.00    --  -91.75 -45.00 -60.00  154
 20  ω    -51.00 -21.00   0.50    5.00    --  -91.75  45.00  30.00   60
 21  ω   -158.00 -78.00   0.50    5.00    --  -91.75 -45.00  90.00  160
 22  ω     42.00  72.00   0.50    5.00    --  108.42 -77.00 120.00   60
 23  ω     38.00  68.00   0.50    5.00    --  108.42 -61.00  60.00   60
 24  ω     70.00 116.00   0.50    5.00    --  108.42-125.00  90.00   92
 25  ω     88.00 117.00   0.50    5.00    --  108.42-125.00  30.00   58
 26  ω     94.00 174.00   0.50    5.00    --  108.42  45.00 -30.00  160
 27  ω     48.00  82.00   0.50    5.00    --  108.42-125.00  30.00   68
 28  ω     40.00  65.00   0.50    5.00    --  108.42-125.00  90.00   50
 29  ω     67.00 106.00   0.50    5.00    --  108.42 -94.00 150.00   78
 30  ω     63.00 116.00   0.50    5.00    --  108.42-125.00 -30.00  106
 31  ω     70.00  98.00   0.50    5.00    --  108.42 -94.00  60.00   56
 32  ω     44.00  71.00   0.50    5.00    --  108.42 -61.00-120.00   54
 33  ω    115.00 178.00   0.50    5.00    --  108.42  30.00 120.00  126
 34  ω     89.00 115.00   0.50    5.00    --  108.42-125.00 -90.00   52
 35  ω     40.00  66.00   0.50    5.00    --  108.42 -94.00  60.00   52
 36  ω     39.00  96.00   0.50    5.00    --  108.42 -94.00-150.00  114
 37  ω    120.00 170.00   0.50    5.00    --  108.42 125.00 120.00  100
 38  ω     58.00 113.00   0.50    5.00    --  108.42-125.00 150.00  110
 39  ω     81.00 106.00   0.50    5.00    --  108.42 -77.00 120.00   50
 40  ω     36.00  69.00   0.50    5.00    --  108.42 -61.00  30.00   66
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_unetI/netI     0.0333
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            61467
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.075
_diffrn_reflns_theta_min         2.757
_exptl_absorpt_coefficient_mu    18.933
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.09989
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.95a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_description       block
_exptl_crystal_F_000             2678
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.273
_refine_diff_density_min         -2.049
_refine_diff_density_rms         0.147
_refine_ls_extinction_coef       0.000185(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1331
_refine_ls_number_reflns         20117
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0429
_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)+(0.0702P)²+20.4559P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1142
_refine_ls_wR_factor_ref         0.1154
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18877
_reflns_number_total             20117
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt03314g2.cif
_cod_data_source_block           zhh-xjn-a661_auto_sq
_cod_depositor_comments
'Adding full bibliography for 7715177--7715179.cif.'
_cod_database_code               7715178
_shelx_shelxl_version_number     2014/7
_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   0.253
_shelx_estimated_absorpt_t_min   0.132
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O36-H36
 0.87 with sigma of 0.01
 O37-H37
 0.87 with sigma of 0.01
 C93-H37
 1.904676 with sigma of 0.02
 Dy2-H36
 3.060526 with sigma of 0.02
 Dy1-H37
 3.049147 with sigma of 0.02
 C94-H36
 1.909063 with sigma of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 N5(H5), N3(H3), C65(H65), C64(H64), C52(H52), C8(H8), C54(H54), C19(H19),
 C4(H4), C74(H74), C69(H69), C5(H5A), C79(H79), C17(H17), C72(H72), C39(H39),
 C35(H35), C27(H27), C18(H18), C63(H63), C3(H3A), C25(H25), C73(H73), C24(H24),
 C33(H33), C26(H26), C71(H71), C80(H80), C12(H12), C11(H11), C22(H22), C34(H34),
  C78(H78), C88(H88), C41(H41), C89(H89), C50(H50), C13(H13), C42(H42),
 C10(H10), C84(H84), C87(H87), C43(H43), C51(H51), C86(H86), C44(H44), C56(H56),
  C59(H59), C58(H58), C57(H57)
3.b Idealised Me refined as rotating group:
 C61(H61A,H61B,H61C), C94(H94A,H94B,H94C), C15(H15A,H15B,H15C), C1(H1A,H1B,
 H1C), C29(H29A,H29B,H29C), C93(H93A,H93B,H93C), C46(H46A,H46B,H46C), C76(H76A,
 H76B,H76C), C92(H92A,H92B,H92C)
;
_platon_squeeze_void_probe_radius 1.20
_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
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Dy2 Dy 0.78861(2) 0.57613(2) 0.40093(2) 0.01260(7) Uani 1 1 d D . . . .
Dy5 Dy 0.69989(2) 0.37268(2) 0.29021(2) 0.01283(7) Uani 1 1 d . . . . .
Dy4 Dy 0.59547(2) 0.57325(2) 0.26876(2) 0.01142(7) Uani 1 1 d . . . . .
Dy3 Dy 0.45508(2) 0.74830(2) 0.23917(2) 0.01317(8) Uani 1 1 d . . . . .
Dy1 Dy 0.67142(2) 0.77003(2) 0.20375(2) 0.01363(8) Uani 1 1 d D . . . .
O13 O 0.4837(2) 0.6158(2) 0.48810(17) 0.0193(7) Uani 1 1 d . . . . .
O23 O 0.71981(19) 0.3642(2) 0.40347(15) 0.0137(6) Uani 1 1 d . . . . .
O6 O 0.7412(2) 0.7029(2) 0.39851(16) 0.0152(7) Uani 1 1 d . . . . .
O15 O 0.4841(2) 0.6560(2) 0.30668(16) 0.0150(7) Uani 1 1 d . . . . .
O14 O 0.56697(19) 0.6217(2) 0.38513(16) 0.0153(7) Uani 1 1 d . . . . .
O11 O 0.4600(2) 0.7725(2) 0.13253(15) 0.0151(7) Uani 1 1 d . . . . .
O1 O 0.8703(2) 0.6541(2) 0.49042(15) 0.0166(7) Uani 1 1 d . . . . .
O22 O 0.8005(2) 0.4782(2) 0.47010(16) 0.0162(7) Uani 1 1 d . . . . .
O3 O 0.7682(2) 0.6810(2) 0.21837(16) 0.0173(7) Uani 1 1 d . . . . .
O18 O 0.6355(2) 0.5322(2) 0.15561(16) 0.0149(7) Uani 1 1 d . . . . .
O36 O 0.6842(2) 0.5907(2) 0.47512(15) 0.0159(7) Uani 1 1 d D . . . .
H36 H 0.6345(13) 0.602(3) 0.4618(10) 0.024 Uiso 1 1 d D U . . .
O2 O 0.74625(18) 0.58714(19) 0.28089(15) 0.0132(6) Uani 1 1 d . . . . .
O17 O 0.5978(2) 0.4464(2) 0.02666(16) 0.0230(8) Uani 1 1 d . . . . .
O37 O 0.6573(2) 0.6634(2) 0.09990(16) 0.0178(7) Uani 1 1 d D . . . .
H37 H 0.650(3) 0.6099(7) 0.1016(14) 0.027 Uiso 1 1 d D U . . .
O19 O 0.63018(19) 0.4354(2) 0.21326(15) 0.0145(6) Uani 1 1 d . . . . .
O8 O 0.7681(2) 0.8369(2) 0.15977(17) 0.0198(7) Uani 1 1 d . . . . .
O16 O 0.57513(19) 0.84319(19) 0.25456(15) 0.0122(6) Uani 1 1 d . . . . .
O12 O 0.3812(2) 0.8536(2) 0.22762(17) 0.0213(7) Uani 1 1 d . . . . .
O24 O 0.7659(2) 0.2611(2) 0.30071(17) 0.0201(7) Uani 1 1 d . . . . .
O20 O 0.82417(19) 0.4585(2) 0.33421(15) 0.0138(6) Uani 1 1 d . . . . .
O21 O 0.7369(2) 0.4372(2) 0.58407(16) 0.0212(7) Uani 1 1 d . . . . .
O7 O 0.65813(19) 0.7206(2) 0.30911(15) 0.0144(6) Uani 1 1 d . . . . .
O28 O 0.3179(2) 0.6975(2) 0.26508(17) 0.0233(8) Uani 1 1 d . . . . .
O31 O 0.4810(2) 0.4727(2) 0.28688(17) 0.0201(7) Uani 1 1 d . . . . .
O26 O 0.55676(18) 0.66879(19) 0.19974(15) 0.0116(6) Uani 1 1 d . . . . .
O5 O 0.6574(2) 0.8086(2) 0.48579(17) 0.0206(7) Uani 1 1 d . . . . .
O27 O 0.3470(2) 0.6416(2) 0.16997(17) 0.0249(8) Uani 1 1 d . . . . .
O25 O 0.66065(19) 0.49790(19) 0.34492(15) 0.0138(6) Uani 1 1 d . . . . .
O30 O 0.4696(2) 0.5039(2) 0.19030(17) 0.0213(7) Uani 1 1 d . . . . .
O33 O 0.6104(2) 0.2543(2) 0.21025(18) 0.0243(8) Uani 1 1 d . . . . .
O4 O 0.8364(2) 0.5568(2) 0.12792(17) 0.0225(8) Uani 1 1 d . . . . .
O34 O 0.5659(2) 0.3009(2) 0.30159(17) 0.0224(8) Uani 1 1 d . . . . .
O10 O 0.5894(2) 0.8147(2) 0.11683(16) 0.0170(7) Uani 1 1 d . . . . .
N5 N 0.8328(2) 0.2530(2) 0.4176(2) 0.0157(8) Uani 1 1 d . . . . .
H5 H 0.8025 0.2770 0.3906 0.019 Uiso 1 1 calc R U . . .
N1 N 0.7736(2) 0.8669(2) 0.2986(2) 0.0162(8) Uani 1 1 d . . . . .
O9 O 0.5483(3) 0.7723(3) -0.02284(18) 0.0328(9) Uani 1 1 d . . . . .
N2 N 0.9093(2) 0.6513(2) 0.36313(19) 0.0154(8) Uani 1 1 d . . . . .
N6 N 0.7813(2) 0.3705(3) 0.1980(2) 0.0164(8) Uani 1 1 d . . . . .
N7 N 0.5534(3) 0.2488(3) 0.2451(2) 0.0272(10) Uani 1 1 d . . . . .
N9 N 0.2954(3) 0.6440(3) 0.2111(2) 0.0244(10) Uani 1 1 d . . . . .
O35 O 0.4900(3) 0.1975(3) 0.2261(2) 0.0414(12) Uani 1 1 d . . . . .
N8 N 0.4376(3) 0.4649(3) 0.2297(2) 0.0257(10) Uani 1 1 d . . . . .
O29 O 0.2290(2) 0.5966(3) 0.1977(2) 0.0427(11) Uani 1 1 d . . . . .
C62 C 0.4541(3) 0.6859(3) 0.4766(2) 0.0142(9) Uani 1 1 d . . . . .
N3 N 0.3933(3) 0.9179(3) 0.1242(2) 0.0221(9) Uani 1 1 d . . . . .
H3 H 0.4078 0.8828 0.1490 0.026 Uiso 1 1 calc R U . . .
C7 C 0.7915(3) 0.3488(3) 0.5053(2) 0.0147(9) Uani 1 1 d . . . . .
C67 C 0.4706(3) 0.7130(3) 0.4189(2) 0.0146(9) Uani 1 1 d . . . . .
N4 N 0.4768(2) 0.8257(2) 0.35724(19) 0.0139(8) Uani 1 1 d . . . . .
C66 C 0.4482(3) 0.7903(3) 0.4090(2) 0.0142(9) Uani 1 1 d . . . . .
C68 C 0.5099(3) 0.6610(3) 0.3688(2) 0.0127(9) Uani 1 1 d . . . . .
C20 C 0.7415(3) 0.3543(3) 0.1298(2) 0.0150(9) Uani 1 1 d . . . . .
C49 C 0.7500(3) 0.8974(3) 0.3617(2) 0.0164(10) Uani 1 1 d . . . . .
O32 O 0.3678(3) 0.4227(3) 0.2143(3) 0.0554(15) Uani 1 1 d . . . . .
C32 C 0.7687(3) 0.4023(3) 0.4565(2) 0.0139(9) Uani 1 1 d . . . . .
C21 C 0.6810(3) 0.4021(3) 0.1107(2) 0.0154(9) Uani 1 1 d . . . . .
C31 C 0.6478(3) 0.4606(3) 0.1617(2) 0.0154(10) Uani 1 1 d . . . . .
C30 C 0.8984(3) 0.5706(3) 0.1821(2) 0.0197(10) Uani 1 1 d . . . . .
C36 C 0.9346(3) 0.6181(3) 0.3008(2) 0.0164(9) Uani 1 1 d . . . . .
C65 C 0.4020(3) 0.8342(3) 0.4522(2) 0.0157(9) Uani 1 1 d . . . . .
H65 H 0.3849 0.8851 0.4445 0.019 Uiso 1 1 calc R U . . .
C64 C 0.3816(3) 0.8033(3) 0.5057(2) 0.0186(10) Uani 1 1 d . . . . .
H64 H 0.3481 0.8319 0.5334 0.022 Uiso 1 1 calc R U . . .
C61 C 0.4660(4) 0.5878(3) 0.5470(3) 0.0245(11) Uani 1 1 d . . . . .
H61A H 0.4057 0.5706 0.5428 0.037 Uiso 1 1 calc R U . . .
H61B H 0.4853 0.6338 0.5859 0.037 Uiso 1 1 calc R U . . .
H61C H 0.4948 0.5401 0.5520 0.037 Uiso 1 1 calc R U . . .
C2 C 0.7738(3) 0.3682(3) 0.5705(2) 0.0167(10) Uani 1 1 d . . . . .
C52 C 0.7038(3) 0.9550(3) 0.4845(3) 0.0228(11) Uani 1 1 d . . . . .
H52 H 0.6880 0.9751 0.5262 0.027 Uiso 1 1 calc R U . . .
C8 C 0.8783(3) 0.2012(3) 0.3896(3) 0.0199(10) Uani 1 1 d . . . . .
H8 H 0.9186 0.1803 0.4168 0.024 Uiso 1 1 calc R U . . .
C54 C 0.8519(3) 0.8895(3) 0.2965(3) 0.0203(10) Uani 1 1 d . . . . .
H54 H 0.8855 0.9191 0.3372 0.024 Uiso 1 1 calc R U . . .
C19 C 0.7655(3) 0.2938(3) 0.0821(2) 0.0188(10) Uani 1 1 d . . . . .
H19 H 0.8055 0.2603 0.0951 0.023 Uiso 1 1 calc R U . . .
C28 C 0.8982(3) 0.4331(3) 0.3314(2) 0.0165(10) Uani 1 1 d . . . . .
C23 C 0.9170(3) 0.3905(3) 0.2709(2) 0.0186(10) Uani 1 1 d . . . . .
C6 C 0.8257(3) 0.2760(3) 0.4858(2) 0.0160(9) Uani 1 1 d . . . . .
C4 C 0.8274(3) 0.2458(3) 0.5933(2) 0.0186(10) Uani 1 1 d . . . . .
H4 H 0.8403 0.2110 0.6235 0.022 Uiso 1 1 calc R U . . .
C74 C 0.6156(3) 0.9828(3) 0.2432(3) 0.0207(10) Uani 1 1 d . . . . .
H74 H 0.6384 0.9628 0.2046 0.025 Uiso 1 1 calc R U . . .
C69 C 0.5080(3) 0.9043(3) 0.3739(2) 0.0158(9) Uani 1 1 d . . . . .
H69 H 0.5073 0.9313 0.4185 0.019 Uiso 1 1 calc R U . . .
C5 C 0.8453(3) 0.2249(3) 0.5295(2) 0.0184(10) Uani 1 1 d . . . . .
H5A H 0.8704 0.1766 0.5161 0.022 Uiso 1 1 calc R U . . .
C82 C 0.4760(3) 0.8499(3) 0.0493(2) 0.0181(10) Uani 1 1 d . . . . .
C14 C 0.8087(3) 0.2043(3) 0.2762(3) 0.0199(10) Uani 1 1 d . . . . .
C94 C 0.7035(3) 0.6209(4) 0.5456(3) 0.0264(12) Uani 1 1 d D . . . .
H94A H 0.7204 0.6819 0.5558 0.040 Uiso 1 1 calc R U . . .
H94B H 0.7491 0.5943 0.5639 0.040 Uiso 1 1 calc R U . . .
H94C H 0.6541 0.6070 0.5653 0.040 Uiso 1 1 calc R U . . .
C16 C 0.6509(3) 0.3937(3) 0.0428(2) 0.0182(10) Uani 1 1 d . . . . .
C79 C 0.4083(4) 0.9253(4) -0.0507(3) 0.0269(12) Uani 1 1 d . . . . .
H79 H 0.3864 0.9516 -0.0846 0.032 Uiso 1 1 calc R U . . .
C17 C 0.6750(3) 0.3329(3) -0.0042(2) 0.0203(10) Uani 1 1 d . . . . .
H17 H 0.6532 0.3258 -0.0500 0.024 Uiso 1 1 calc R U . . .
C75 C 0.5777(3) 0.9248(3) 0.2759(2) 0.0158(9) Uani 1 1 d . . . . .
C72 C 0.5879(4) 1.0991(3) 0.3232(3) 0.0258(11) Uani 1 1 d . . . . .
H72 H 0.5916 1.1579 0.3390 0.031 Uiso 1 1 calc R U . . .
C70 C 0.5437(3) 0.9566(3) 0.3335(2) 0.0167(10) Uani 1 1 d . . . . .
C48 C 0.7152(3) 0.8403(3) 0.3951(2) 0.0142(9) Uani 1 1 d . . . . .
C39 C 0.9455(3) 0.7259(3) 0.3927(2) 0.0190(10) Uani 1 1 d . . . . .
H39 H 0.9837 0.7531 0.3703 0.023 Uiso 1 1 calc R U . . .
C15 C 0.5667(4) 0.4390(4) -0.0426(3) 0.0310(13) Uani 1 1 d . . . . .
H15A H 0.6135 0.4480 -0.0662 0.046 Uiso 1 1 calc R U . . .
H15B H 0.5303 0.4812 -0.0476 0.046 Uiso 1 1 calc R U . . .
H15C H 0.5349 0.3828 -0.0612 0.046 Uiso 1 1 calc R U . . .
C35 C 1.0150(3) 0.5998(3) 0.2989(3) 0.0217(11) Uani 1 1 d . . . . .
H35 H 1.0546 0.6092 0.3386 0.026 Uiso 1 1 calc R U . . .
C27 C 0.9599(3) 0.4499(3) 0.3890(3) 0.0208(10) Uani 1 1 d . . . . .
H27 H 0.9483 0.4789 0.4300 0.025 Uiso 1 1 calc R U . . .
C18 C 0.7310(3) 0.2829(3) 0.0162(2) 0.0217(11) Uani 1 1 d . . . . .
H18 H 0.7460 0.2402 -0.0158 0.026 Uiso 1 1 calc R U . . .
C9 C 0.8686(3) 0.1751(3) 0.3191(3) 0.0208(10) Uani 1 1 d . . . . .
C47 C 0.6921(3) 0.8689(3) 0.4572(2) 0.0174(10) Uani 1 1 d . . . . .
C53 C 0.7044(3) 0.7481(3) 0.3656(2) 0.0133(9) Uani 1 1 d . . . . .
C63 C 0.4090(3) 0.7313(3) 0.5199(2) 0.0169(10) Uani 1 1 d . . . . .
H63 H 0.3973 0.7128 0.5586 0.020 Uiso 1 1 calc R U . . .
C3 C 0.7909(3) 0.3166(3) 0.6142(2) 0.0177(10) Uani 1 1 d . . . . .
H3A H 0.7781 0.3292 0.6578 0.021 Uiso 1 1 calc R U . . .
C25 C 1.0556(3) 0.3832(4) 0.3268(3) 0.0275(12) Uani 1 1 d . . . . .
H25 H 1.1087 0.3660 0.3252 0.033 Uiso 1 1 calc R U . . .
C77 C 0.4965(3) 0.8310(3) -0.0146(3) 0.0221(11) Uani 1 1 d . . . . .
C55 C 0.8939(3) 0.8750(4) 0.2397(3) 0.0251(11) Uani 1 1 d . . . . .
C37 C 0.8758(3) 0.6044(3) 0.2433(2) 0.0160(9) Uani 1 1 d . . . . .
C83 C 0.5119(3) 0.8087(3) 0.1033(2) 0.0156(9) Uani 1 1 d . . . . .
C73 C 0.6203(3) 1.0678(3) 0.2661(3) 0.0256(11) Uani 1 1 d . . . . .
H73 H 0.6457 1.1057 0.2431 0.031 Uiso 1 1 calc R U . . .
C45 C 0.8972(3) 0.7335(3) 0.5025(2) 0.0182(10) Uani 1 1 d . . . . .
C1 C 0.7164(3) 0.4598(3) 0.6497(2) 0.0241(11) Uani 1 1 d . . . . .
H1A H 0.6859 0.5077 0.6522 0.036 Uiso 1 1 calc R U . . .
H1B H 0.7678 0.4750 0.6826 0.036 Uiso 1 1 calc R U . . .
H1C H 0.6815 0.4120 0.6589 0.036 Uiso 1 1 calc R U . . .
C40 C 0.9343(3) 0.7727(3) 0.4565(3) 0.0211(11) Uani 1 1 d . . . . .
C38 C 0.7908(3) 0.6253(3) 0.2475(2) 0.0139(9) Uani 1 1 d . . . . .
C24 C 0.9970(3) 0.3675(3) 0.2700(3) 0.0243(11) Uani 1 1 d . . . . .
H24 H 1.0107 0.3405 0.2291 0.029 Uiso 1 1 calc R U . . .
C33 C 0.9787(3) 0.5517(4) 0.1794(3) 0.0258(11) Uani 1 1 d . . . . .
H33 H 0.9940 0.5283 0.1382 0.031 Uiso 1 1 calc R U . . .
C60 C 0.8501(3) 0.8510(3) 0.1740(3) 0.0234(11) Uani 1 1 d . . . . .
C26 C 1.0369(3) 0.4245(4) 0.3864(3) 0.0245(11) Uani 1 1 d . . . . .
H26 H 1.0773 0.4353 0.4256 0.029 Uiso 1 1 calc R U . . .
C71 C 0.5507(3) 1.0435(3) 0.3562(3) 0.0216(10) Uani 1 1 d . . . . .
H71 H 0.5294 1.0647 0.3952 0.026 Uiso 1 1 calc R U . . .
C80 C 0.3850(3) 0.9445(3) 0.0121(3) 0.0245(11) Uani 1 1 d . . . . .
H80 H 0.3474 0.9831 0.0210 0.029 Uiso 1 1 calc R U . . .
C90 C 0.3344(3) 0.9097(3) 0.2468(3) 0.0230(11) Uani 1 1 d . . . . .
C12 C 0.8414(4) 0.1084(4) 0.1825(3) 0.0319(13) Uani 1 1 d . . . . .
H12 H 0.8321 0.0851 0.1361 0.038 Uiso 1 1 calc R U . . .
C29 C 0.8554(4) 0.5181(4) 0.0660(3) 0.0296(12) Uani 1 1 d . . . . .
H29A H 0.8047 0.5049 0.0324 0.044 Uiso 1 1 calc R U . . .
H29B H 0.8774 0.4662 0.0701 0.044 Uiso 1 1 calc R U . . .
H29C H 0.8973 0.5564 0.0526 0.044 Uiso 1 1 calc R U . . .
C11 C 0.9018(4) 0.0810(4) 0.2254(3) 0.0352(14) Uani 1 1 d . . . . .
H11 H 0.9332 0.0399 0.2076 0.042 Uiso 1 1 calc R U . . .
C22 C 0.8620(3) 0.3741(3) 0.2082(2) 0.0174(10) Uani 1 1 d . . . . .
H22 H 0.8874 0.3649 0.1697 0.021 Uiso 1 1 calc R U . . .
C93 C 0.7008(4) 0.6714(4) 0.0462(3) 0.0277(12) Uani 1 1 d D . . . .
H93A H 0.6792 0.6240 0.0087 0.041 Uiso 1 1 calc R U . . .
H93B H 0.7605 0.6717 0.0604 0.041 Uiso 1 1 calc R U . . .
H93C H 0.6927 0.7240 0.0325 0.041 Uiso 1 1 calc R U . . .
C34 C 1.0361(3) 0.5676(4) 0.2382(3) 0.0252(11) Uani 1 1 d . . . . .
H34 H 1.0912 0.5560 0.2364 0.030 Uiso 1 1 calc R U . . .
C78 C 0.4629(3) 0.8684(3) -0.0640(3) 0.0251(11) Uani 1 1 d . . . . .
H78 H 0.4771 0.8552 -0.1070 0.030 Uiso 1 1 calc R U . . .
C88 C 0.2456(4) 0.9675(4) 0.3212(3) 0.0308(13) Uani 1 1 d . . . . .
H88 H 0.2182 0.9648 0.3582 0.037 Uiso 1 1 calc R U . . .
C41 C 0.9606(3) 0.8595(3) 0.4716(3) 0.0246(11) Uani 1 1 d . . . . .
H41 H 0.9873 0.8846 0.4410 0.029 Uiso 1 1 calc R U . . .
C89 C 0.2943(3) 0.9084(4) 0.3026(3) 0.0255(12) Uani 1 1 d . . . . .
H89 H 0.3012 0.8661 0.3272 0.031 Uiso 1 1 calc R U . . .
C50 C 0.7619(3) 0.9835(3) 0.3892(3) 0.0227(11) Uani 1 1 d . . . . .
H50 H 0.7855 1.0228 0.3664 0.027 Uiso 1 1 calc R U . . .
C85 C 0.3215(4) 0.9734(4) 0.2107(3) 0.0267(12) Uani 1 1 d . . . . .
C81 C 0.4182(3) 0.9056(3) 0.0606(2) 0.0205(10) Uani 1 1 d . . . . .
C13 C 0.7961(4) 0.1685(3) 0.2074(3) 0.0256(11) Uani 1 1 d . . . . .
H13 H 0.7557 0.1863 0.1780 0.031 Uiso 1 1 calc R U . . .
C42 C 0.9486(4) 0.9094(3) 0.5296(3) 0.0310(13) Uani 1 1 d . . . . .
H42 H 0.9641 0.9686 0.5382 0.037 Uiso 1 1 calc R U . . .
C10 C 0.9151(4) 0.1134(4) 0.2921(3) 0.0288(12) Uani 1 1 d . . . . .
H10 H 0.9557 0.0945 0.3206 0.035 Uiso 1 1 calc R U . . .
C84 C 0.3517(4) 0.9748(4) 0.1498(3) 0.0292(12) Uani 1 1 d . . . . .
H84 H 0.3410 1.0185 0.1274 0.035 Uiso 1 1 calc R U . . .
C87 C 0.2350(4) 1.0324(4) 0.2871(3) 0.0360(14) Uani 1 1 d . . . . .
H87 H 0.2026 1.0741 0.3019 0.043 Uiso 1 1 calc R U . . .
C43 C 0.9133(4) 0.8715(3) 0.5759(3) 0.0285(12) Uani 1 1 d . . . . .
H43 H 0.9054 0.9053 0.6164 0.034 Uiso 1 1 calc R U . . .
C51 C 0.7387(3) 1.0105(3) 0.4503(3) 0.0236(11) Uani 1 1 d . . . . .
H51 H 0.7471 1.0689 0.4692 0.028 Uiso 1 1 calc R U . . .
C86 C 0.2718(4) 1.0346(4) 0.2323(3) 0.0372(15) Uani 1 1 d . . . . .
H86 H 0.2639 1.0776 0.2086 0.045 Uiso 1 1 calc R U . . .
C44 C 0.8896(3) 0.7856(3) 0.5635(3) 0.0246(11) Uani 1 1 d . . . . .
H44 H 0.8678 0.7610 0.5964 0.029 Uiso 1 1 calc R U . . .
C46 C 0.6318(4) 0.8341(4) 0.5481(3) 0.0308(13) Uani 1 1 d . . . . .
H46A H 0.5910 0.8724 0.5440 0.046 Uiso 1 1 calc R U . . .
H46B H 0.6803 0.8627 0.5813 0.046 Uiso 1 1 calc R U . . .
H46C H 0.6063 0.7846 0.5620 0.046 Uiso 1 1 calc R U . . .
C56 C 0.9818(4) 0.8922(4) 0.2519(3) 0.0356(14) Uani 1 1 d . . . . .
H56 H 1.0104 0.9091 0.2965 0.043 Uiso 1 1 calc R U . . .
C59 C 0.8982(4) 0.8462(4) 0.1223(3) 0.0363(14) Uani 1 1 d . . . . .
H59 H 0.8708 0.8308 0.0774 0.044 Uiso 1 1 calc R U . . .
C58 C 0.9834(4) 0.8633(5) 0.1358(4) 0.0480(18) Uani 1 1 d . . . . .
H58 H 1.0138 0.8602 0.1000 0.058 Uiso 1 1 calc R U . . .
C57 C 1.0271(4) 0.8852(5) 0.2011(4) 0.0508(19) Uani 1 1 d . . . . .
H57 H 1.0864 0.8949 0.2099 0.061 Uiso 1 1 calc R U . . .
C76 C 0.5548(5) 0.7341(5) -0.0897(3) 0.051(2) Uani 1 1 d . . . . .
H76A H 0.4989 0.7110 -0.1149 0.076 Uiso 1 1 calc R U . . .
H76B H 0.5883 0.6888 -0.0891 0.076 Uiso 1 1 calc R U . . .
H76C H 0.5815 0.7763 -0.1106 0.076 Uiso 1 1 calc R U . . .
N10 N 0.1979(8) 0.2433(8) 0.2891(8) 0.140(5) Uani 1 1 d . . . . .
C91 C 0.2677(9) 0.2582(7) 0.2858(6) 0.084(3) Uani 1 1 d . . . . .
C92 C 0.3514(9) 0.2710(9) 0.2854(8) 0.119(5) Uani 1 1 d . . . . .
H92A H 0.3616 0.2563 0.2397 0.178 Uiso 1 1 calc R U . . .
H92B H 0.3787 0.2357 0.3119 0.178 Uiso 1 1 calc R U . . .
H92C H 0.3740 0.3302 0.3044 0.178 Uiso 1 1 calc R U . . .
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'
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
O6 Dy2 Dy4 62.88(8) . . ?
O6 Dy2 O22 140.31(11) . . ?
O6 Dy2 O36 72.26(11) . . ?
O6 Dy2 O2 70.41(10) . . ?
O6 Dy2 O20 143.31(11) . . ?
O6 Dy2 O25 92.73(11) . . ?
O6 Dy2 N2 80.56(12) . . ?
O1 Dy2 Dy4 143.47(9) . . ?
O1 Dy2 O6 81.18(12) . . ?
O1 Dy2 O22 78.69(12) . . ?
O1 Dy2 O36 81.38(11) . . ?
O1 Dy2 O2 136.47(11) . . ?
O1 Dy2 O20 124.29(12) . . ?
O1 Dy2 O25 152.18(12) . . ?
O1 Dy2 N2 72.88(13) . . ?
O22 Dy2 Dy4 125.00(8) . . ?
O22 Dy2 O36 71.15(11) . . ?
O22 Dy2 O2 142.72(10) . . ?
O22 Dy2 N2 124.39(12) . . ?
O36 Dy2 Dy4 81.59(7) . . ?
O36 Dy2 O2 118.17(10) . . ?
O36 Dy2 N2 145.00(12) . . ?
O2 Dy2 Dy4 37.58(7) . . ?
O20 Dy2 Dy4 90.77(7) . . ?
O20 Dy2 O22 75.23(11) . . ?
O20 Dy2 O36 131.87(11) . . ?
O20 Dy2 O2 73.25(10) . . ?
O20 Dy2 O25 75.43(11) . . ?
O20 Dy2 N2 82.87(12) . . ?
O25 Dy2 Dy4 35.81(8) . . ?
O25 Dy2 O22 89.53(11) . . ?
O25 Dy2 O36 70.94(11) . . ?
O25 Dy2 O2 63.70(10) . . ?
O25 Dy2 N2 133.15(12) . . ?
N2 Dy2 Dy4 105.40(9) . . ?
N2 Dy2 O2 70.49(11) . . ?
O23 Dy5 Dy4 109.74(8) . . ?
O23 Dy5 O33 117.27(12) . . ?
O23 Dy5 O34 77.10(11) . . ?
O23 Dy5 N6 139.18(12) . . ?
O19 Dy5 Dy4 36.17(8) . . ?
O19 Dy5 O23 143.79(11) . . ?
O19 Dy5 O25 70.16(11) . . ?
O19 Dy5 O33 75.97(12) . . ?
O19 Dy5 O34 88.46(12) . . ?
O19 Dy5 N6 72.70(12) . . ?
O24 Dy5 Dy4 176.89(9) . . ?
O24 Dy5 O23 71.61(12) . . ?
O24 Dy5 O19 143.22(11) . . ?
O24 Dy5 O20 88.29(12) . . ?
O24 Dy5 O25 146.60(11) . . ?
O24 Dy5 O33 76.24(12) . . ?
O24 Dy5 O34 93.45(13) . . ?
O24 Dy5 N6 80.20(13) . . ?
O20 Dy5 Dy4 89.32(8) . . ?
O20 Dy5 O23 76.48(11) . . ?
O20 Dy5 O19 106.88(11) . . ?
O20 Dy5 O25 75.97(11) . . ?
O20 Dy5 O33 153.53(12) . . ?
O20 Dy5 O34 151.48(11) . . ?
O20 Dy5 N6 73.72(12) . . ?
O25 Dy5 Dy4 34.10(8) . . ?
O25 Dy5 O23 76.10(11) . . ?
O25 Dy5 O33 127.77(12) . . ?
O25 Dy5 O34 87.43(12) . . ?
O25 Dy5 N6 121.58(12) . . ?
O33 Dy5 Dy4 105.23(9) . . ?
O33 Dy5 N6 82.46(13) . . ?
O34 Dy5 Dy4 89.60(9) . . ?
O34 Dy5 O33 52.64(12) . . ?
O34 Dy5 N6 134.63(12) . . ?
N6 Dy5 Dy4 97.22(9) . . ?
O15 Dy4 Dy1 84.43(8) . . ?
O15 Dy4 C68 26.06(11) . . ?
O14 Dy4 Dy1 108.17(7) . . ?
O14 Dy4 O15 51.11(10) . . ?
O14 Dy4 C68 25.13(12) . . ?
O18 Dy4 Dy1 68.96(7) . . ?
O18 Dy4 O15 131.00(10) . . ?
O18 Dy4 O14 175.31(10) . . ?
O18 Dy4 C68 156.47(12) . . ?
O2 Dy4 Dy1 72.83(8) . . ?
O2 Dy4 O15 139.61(10) . . ?
O2 Dy4 O14 104.75(10) . . ?
O2 Dy4 O18 71.00(10) . . ?
O2 Dy4 O19 72.62(10) . . ?
O2 Dy4 O7 69.78(10) . . ?
O2 Dy4 O31 136.84(11) . . ?
O2 Dy4 O30 140.81(11) . . ?
O2 Dy4 C68 122.87(11) . . ?
O19 Dy4 Dy1 117.57(8) . . ?
O19 Dy4 O15 147.42(10) . . ?
O19 Dy4 O14 130.09(11) . . ?
O19 Dy4 O18 51.21(10) . . ?
O19 Dy4 C68 146.68(12) . . ?
O7 Dy4 Dy1 39.15(7) . . ?
O7 Dy4 O15 71.51(10) . . ?
O7 Dy4 O14 71.56(11) . . ?
O7 Dy4 O18 104.71(10) . . ?
O7 Dy4 O19 140.74(10) . . ?
O7 Dy4 O31 139.54(11) . . ?
O7 Dy4 C68 67.91(11) . . ?
O31 Dy4 Dy1 150.17(8) . . ?
O31 Dy4 O15 72.49(11) . . ?
O31 Dy4 O14 71.75(11) . . ?
O31 Dy4 O18 112.64(11) . . ?
O31 Dy4 O19 77.90(11) . . ?
O31 Dy4 C68 71.63(12) . . ?
O26 Dy4 Dy1 34.47(7) . . ?
O26 Dy4 O15 66.22(10) . . ?
O26 Dy4 O14 111.02(10) . . ?
O26 Dy4 O18 68.91(10) . . ?
O26 Dy4 O2 105.12(10) . . ?
O26 Dy4 O19 117.79(10) . . ?
O26 Dy4 O7 63.37(10) . . ?
O26 Dy4 O31 116.40(11) . . ?
O26 Dy4 O25 168.15(10) . . ?
O26 Dy4 O30 72.23(11) . . ?
O26 Dy4 C68 88.28(11) . . ?
O25 Dy4 Dy1 133.78(7) . . ?
O25 Dy4 O15 117.12(11) . . ?
O25 Dy4 O14 68.18(10) . . ?
O25 Dy4 O18 110.86(11) . . ?
O25 Dy4 O2 64.62(11) . . ?
O25 Dy4 O19 66.22(10) . . ?
O25 Dy4 O7 106.11(10) . . ?
O25 Dy4 O31 74.98(11) . . ?
O25 Dy4 O30 119.34(11) . . ?
O25 Dy4 C68 92.65(12) . . ?
O30 Dy4 Dy1 104.79(9) . . ?
O30 Dy4 O15 76.61(11) . . ?
O30 Dy4 O14 112.70(11) . . ?
O30 Dy4 O18 71.87(11) . . ?
O30 Dy4 O19 74.65(11) . . ?
O30 Dy4 O7 132.72(11) . . ?
O30 Dy4 O31 52.24(12) . . ?
O30 Dy4 C68 96.31(12) . . ?
C68 Dy4 Dy1 95.71(9) . . ?
Dy1 Dy3 Dy4 60.407(7) . . ?
O15 Dy3 Dy4 36.41(8) . . ?
O15 Dy3 Dy1 91.48(8) . . ?
O15 Dy3 O11 143.26(11) . . ?
O15 Dy3 O28 75.94(12) . . ?
O15 Dy3 O26 70.32(11) . . ?
O15 Dy3 O27 89.32(12) . . ?
O15 Dy3 N4 71.42(12) . . ?
O11 Dy3 Dy4 108.75(8) . . ?
O11 Dy3 Dy1 68.27(8) . . ?
O11 Dy3 O28 117.90(11) . . ?
O11 Dy3 O26 75.50(11) . . ?
O11 Dy3 O27 76.92(12) . . ?
O11 Dy3 N4 140.61(12) . . ?
O16 Dy3 Dy4 88.71(8) . . ?
O16 Dy3 Dy1 37.38(8) . . ?
O16 Dy3 O15 105.86(11) . . ?
O16 Dy3 O11 76.92(11) . . ?
O16 Dy3 O28 153.52(11) . . ?
O16 Dy3 O26 74.56(10) . . ?
O16 Dy3 O27 151.91(12) . . ?
O16 Dy3 N4 74.06(12) . . ?
O12 Dy3 Dy4 176.30(9) . . ?
O12 Dy3 Dy1 117.96(9) . . ?
O12 Dy3 O15 142.82(12) . . ?
O12 Dy3 O11 72.83(12) . . ?
O12 Dy3 O16 88.42(12) . . ?
O12 Dy3 O28 76.62(13) . . ?
O12 Dy3 O26 146.70(12) . . ?
O12 Dy3 O27 93.48(13) . . ?
O12 Dy3 N4 80.28(12) . . ?
O28 Dy3 Dy4 105.15(9) . . ?
O28 Dy3 Dy1 165.32(9) . . ?
O28 Dy3 N4 81.88(12) . . ?
O26 Dy3 Dy4 33.94(8) . . ?
O26 Dy3 Dy1 37.60(7) . . ?
O26 Dy3 O28 128.65(11) . . ?
O26 Dy3 O27 89.15(11) . . ?
O26 Dy3 N4 120.35(11) . . ?
O27 Dy3 Dy4 90.15(10) . . ?
O27 Dy3 Dy1 121.03(9) . . ?
O27 Dy3 O28 52.48(12) . . ?
O27 Dy3 N4 133.88(12) . . ?
N4 Dy3 Dy4 96.69(9) . . ?
N4 Dy3 Dy1 101.51(9) . . ?
Dy3 Dy1 Dy4 63.314(7) . . ?
O3 Dy1 Dy4 64.13(8) . . ?
O3 Dy1 Dy3 127.43(8) . . ?
O3 Dy1 O37 71.44(11) . . ?
O3 Dy1 O16 144.09(11) . . ?
O3 Dy1 O7 71.67(11) . . ?
O3 Dy1 O26 94.30(11) . . ?
O3 Dy1 O10 140.14(11) . . ?
O3 Dy1 N1 81.44(12) . . ?
O37 Dy1 Dy4 81.40(8) . . ?
O37 Dy1 Dy3 101.83(8) . . ?
O37 Dy1 O7 118.23(11) . . ?
O37 Dy1 N1 145.03(12) . . ?
O8 Dy1 Dy4 147.98(9) . . ?
O8 Dy1 Dy3 147.87(9) . . ?
O8 Dy1 O3 84.42(12) . . ?
O8 Dy1 O37 83.04(12) . . ?
O8 Dy1 O16 120.19(12) . . ?
O8 Dy1 O7 138.76(11) . . ?
O8 Dy1 O26 153.99(12) . . ?
O8 Dy1 O10 77.72(12) . . ?
O8 Dy1 N1 72.51(13) . . ?
O16 Dy1 Dy4 90.65(8) . . ?
O16 Dy1 Dy3 36.50(7) . . ?
O16 Dy1 O37 132.59(11) . . ?
O16 Dy1 O7 72.86(11) . . ?
O16 Dy1 O10 74.45(11) . . ?
O16 Dy1 N1 82.05(12) . . ?
O7 Dy1 Dy4 37.92(7) . . ?
O7 Dy1 Dy3 66.59(7) . . ?
O7 Dy1 N1 71.09(12) . . ?
O26 Dy1 Dy4 35.80(8) . . ?
O26 Dy1 Dy3 38.51(7) . . ?
O26 Dy1 O37 72.02(11) . . ?
O26 Dy1 O16 74.59(11) . . ?
O26 Dy1 O7 63.42(10) . . ?
O26 Dy1 O10 87.14(11) . . ?
O26 Dy1 N1 133.11(12) . . ?
O10 Dy1 Dy4 122.52(8) . . ?
O10 Dy1 Dy3 74.07(8) . . ?
O10 Dy1 O37 71.23(11) . . ?
O10 Dy1 O7 140.60(11) . . ?
O10 Dy1 N1 124.94(12) . . ?
N1 Dy1 Dy4 106.51(9) . . ?
N1 Dy1 Dy3 112.23(9) . . ?
C62 O13 C61 117.1(4) . . ?
C32 O23 Dy5 136.9(3) . . ?
C53 O6 Dy2 148.5(3) . . ?
Dy3 O15 Dy4 110.78(13) . . ?
C68 O15 Dy4 94.2(3) . . ?
C68 O15 Dy3 136.6(3) . . ?
C68 O14 Dy4 95.5(3) . . ?
C83 O11 Dy3 137.4(3) . . ?
C45 O1 Dy2 127.9(3) . . ?
C32 O22 Dy2 127.3(3) . . ?
C38 O3 Dy1 146.8(3) . . ?
C31 O18 Dy4 95.0(3) . . ?
Dy2 O36 H36 121.7(15) . . ?
C94 O36 Dy2 124.7(3) . . ?
C94 O36 H36 107.4(15) . . ?
Dy4 O2 Dy2 102.59(11) . . ?
C38 O2 Dy2 126.1(3) . . ?
C38 O2 Dy4 125.2(3) . . ?
C16 O17 C15 117.5(4) . . ?
Dy1 O37 H37 118.8(16) . . ?
C93 O37 Dy1 125.3(3) . . ?
C93 O37 H37 107.3(16) . . ?
Dy5 O19 Dy4 110.79(12) . . ?
C31 O19 Dy5 134.6(3) . . ?
C31 O19 Dy4 94.8(3) . . ?
C60 O8 Dy1 132.4(3) . . ?
Dy3 O16 Dy1 106.12(12) . . ?
C75 O16 Dy3 122.7(3) . . ?
C75 O16 Dy1 129.8(3) . . ?
C90 O12 Dy3 154.7(3) . . ?
C14 O24 Dy5 149.7(3) . . ?
Dy5 O20 Dy2 104.94(12) . . ?
C28 O20 Dy2 130.3(3) . . ?
C28 O20 Dy5 123.2(3) . . ?
C2 O21 C1 117.2(4) . . ?
Dy4 O7 Dy1 102.92(11) . . ?
C53 O7 Dy4 122.8(3) . . ?
C53 O7 Dy1 127.3(3) . . ?
N9 O28 Dy3 94.7(3) . . ?
N8 O31 Dy4 95.0(3) . . ?
Dy3 O26 Dy4 112.62(12) . . ?
Dy1 O26 Dy4 109.74(12) . . ?
Dy1 O26 Dy3 103.89(12) . . ?
C47 O5 C46 118.3(4) . . ?
N9 O27 Dy3 96.8(3) . . ?
Dy2 O25 Dy5 102.70(12) . . ?
Dy2 O25 Dy4 109.58(12) . . ?
Dy5 O25 Dy4 112.62(12) . . ?
N8 O30 Dy4 96.1(3) . . ?
N7 O33 Dy5 95.0(3) . . ?
C30 O4 C29 117.0(4) . . ?
N7 O34 Dy5 96.1(3) . . ?
C83 O10 Dy1 128.9(3) . . ?
C8 N5 H5 115.7 . . ?
C8 N5 C6 128.7(4) . . ?
C6 N5 H5 115.7 . . ?
C49 N1 Dy1 121.8(3) . . ?
C54 N1 Dy1 124.1(3) . . ?
C54 N1 C49 114.0(4) . . ?
C77 O9 C76 117.3(4) . . ?
C36 N2 Dy2 121.2(3) . . ?
C39 N2 Dy2 122.8(3) . . ?
C39 N2 C36 115.4(4) . . ?
C20 N6 Dy5 121.9(3) . . ?
C22 N6 Dy5 121.5(3) . . ?
C22 N6 C20 116.1(4) . . ?
O33 N7 O34 116.3(4) . . ?
O35 N7 O33 122.0(5) . . ?
O35 N7 O34 121.8(5) . . ?
O28 N9 O27 116.0(4) . . ?
O29 N9 O28 123.1(5) . . ?
O29 N9 O27 120.9(5) . . ?
O30 N8 O31 116.6(4) . . ?
O32 N8 O31 121.4(5) . . ?
O32 N8 O30 122.0(5) . . ?
O13 C62 C67 117.3(4) . . ?
O13 C62 C63 122.5(4) . . ?
C63 C62 C67 120.2(4) . . ?
C81 N3 H3 116.1 . . ?
C84 N3 H3 116.1 . . ?
C84 N3 C81 127.7(5) . . ?
C2 C7 C32 120.8(4) . . ?
C6 C7 C32 120.6(4) . . ?
C6 C7 C2 118.4(4) . . ?
C62 C67 C68 121.0(4) . . ?
C66 C67 C62 118.7(4) . . ?
C66 C67 C68 120.3(4) . . ?
C66 N4 Dy3 123.4(3) . . ?
C69 N4 Dy3 120.7(3) . . ?
C69 N4 C66 115.5(4) . . ?
C67 C66 N4 119.5(4) . . ?
C65 C66 C67 120.0(4) . . ?
C65 C66 N4 120.4(4) . . ?
O15 C68 Dy4 59.7(2) . . ?
O15 C68 C67 119.2(4) . . ?
O14 C68 Dy4 59.4(2) . . ?
O14 C68 O15 118.8(4) . . ?
O14 C68 C67 122.0(4) . . ?
C67 C68 Dy4 174.7(3) . . ?
C21 C20 N6 119.7(4) . . ?
C19 C20 N6 120.3(4) . . ?
C19 C20 C21 119.9(4) . . ?
C48 C49 N1 119.2(4) . . ?
C48 C49 C50 120.3(5) . . ?
C50 C49 N1 120.5(5) . . ?
O23 C32 C7 115.5(4) . . ?
O22 C32 O23 125.9(4) . . ?
O22 C32 C7 118.6(4) . . ?
C20 C21 C31 120.7(4) . . ?
C20 C21 C16 119.0(4) . . ?
C16 C21 C31 120.2(4) . . ?
O18 C31 O19 118.7(4) . . ?
O18 C31 C21 122.8(4) . . ?
O19 C31 C21 118.5(4) . . ?
O4 C30 C37 115.5(4) . . ?
O4 C30 C33 124.2(5) . . ?
C33 C30 C37 120.3(5) . . ?
C35 C36 N2 120.8(4) . . ?
C37 C36 N2 117.8(4) . . ?
C37 C36 C35 121.4(5) . . ?
C66 C65 H65 120.1 . . ?
C64 C65 C66 119.9(5) . . ?
C64 C65 H65 120.1 . . ?
C65 C64 H64 119.3 . . ?
C65 C64 C63 121.3(5) . . ?
C63 C64 H64 119.3 . . ?
O13 C61 H61A 109.5 . . ?
O13 C61 H61B 109.5 . . ?
O13 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
O21 C2 C7 114.5(4) . . ?
O21 C2 C3 124.8(4) . . ?
C3 C2 C7 120.7(4) . . ?
C47 C52 H52 120.4 . . ?
C51 C52 H52 120.4 . . ?
C51 C52 C47 119.3(5) . . ?
N5 C8 H8 119.3 . . ?
N5 C8 C9 121.4(5) . . ?
C9 C8 H8 119.3 . . ?
N1 C54 H54 116.1 . . ?
N1 C54 C55 127.9(5) . . ?
C55 C54 H54 116.1 . . ?
C20 C19 H19 120.1 . . ?
C18 C19 C20 119.8(5) . . ?
C18 C19 H19 120.1 . . ?
O20 C28 C23 120.8(4) . . ?
O20 C28 C27 120.4(4) . . ?
C23 C28 C27 118.7(4) . . ?
C28 C23 C22 124.3(4) . . ?
C24 C23 C28 118.7(4) . . ?
C24 C23 C22 116.8(5) . . ?
C7 C6 N5 116.7(4) . . ?
C5 C6 N5 121.5(4) . . ?
C5 C6 C7 121.6(5) . . ?
C5 C4 H4 119.1 . . ?
C5 C4 C3 121.7(5) . . ?
C3 C4 H4 119.1 . . ?
C75 C74 H74 119.5 . . ?
C73 C74 H74 119.5 . . ?
C73 C74 C75 121.1(5) . . ?
N4 C69 H69 115.8 . . ?
N4 C69 C70 128.3(4) . . ?
C70 C69 H69 115.8 . . ?
C6 C5 C4 118.5(5) . . ?
C6 C5 H5A 120.8 . . ?
C4 C5 H5A 120.8 . . ?
C77 C82 C83 120.9(4) . . ?
C77 C82 C81 117.9(4) . . ?
C81 C82 C83 121.1(4) . . ?
O24 C14 C9 120.2(5) . . ?
O24 C14 C13 121.7(5) . . ?
C13 C14 C9 118.1(5) . . ?
O36 C94 H94A 109.5 . . ?
O36 C94 H94B 109.5 . . ?
O36 C94 H94C 109.5 . . ?
H94A C94 H94B 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
O17 C16 C21 116.7(4) . . ?
O17 C16 C17 123.2(4) . . ?
C17 C16 C21 120.1(5) . . ?
C80 C79 H79 119.5 . . ?
C78 C79 H79 119.5 . . ?
C78 C79 C80 121.0(5) . . ?
C16 C17 H17 120.2 . . ?
C18 C17 C16 119.6(5) . . ?
C18 C17 H17 120.2 . . ?
O16 C75 C74 120.8(4) . . ?
O16 C75 C70 120.9(4) . . ?
C74 C75 C70 118.3(4) . . ?
C73 C72 H72 120.4 . . ?
C71 C72 H72 120.4 . . ?
C71 C72 C73 119.3(5) . . ?
C75 C70 C69 123.8(4) . . ?
C71 C70 C69 116.8(4) . . ?
C71 C70 C75 119.3(5) . . ?
C49 C48 C47 120.1(4) . . ?
C49 C48 C53 119.7(4) . . ?
C47 C48 C53 120.2(4) . . ?
N2 C39 H39 116.5 . . ?
N2 C39 C40 126.9(5) . . ?
C40 C39 H39 116.5 . . ?
O17 C15 H15A 109.5 . . ?
O17 C15 H15B 109.5 . . ?
O17 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C36 C35 H35 120.6 . . ?
C34 C35 C36 118.7(5) . . ?
C34 C35 H35 120.6 . . ?
C28 C27 H27 119.6 . . ?
C26 C27 C28 120.7(5) . . ?
C26 C27 H27 119.6 . . ?
C19 C18 C17 121.2(5) . . ?
C19 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C14 C9 C8 121.4(5) . . ?
C10 C9 C8 118.5(5) . . ?
C10 C9 C14 119.9(5) . . ?
O5 C47 C52 124.5(5) . . ?
O5 C47 C48 115.9(4) . . ?
C52 C47 C48 119.5(5) . . ?
O6 C53 O7 124.3(4) . . ?
O6 C53 C48 117.8(4) . . ?
O7 C53 C48 117.9(4) . . ?
C62 C63 H63 120.3 . . ?
C64 C63 C62 119.5(5) . . ?
C64 C63 H63 120.3 . . ?
C2 C3 C4 119.0(5) . . ?
C2 C3 H3A 120.5 . . ?
C4 C3 H3A 120.5 . . ?
C24 C25 H25 120.2 . . ?
C24 C25 C26 119.6(5) . . ?
C26 C25 H25 120.2 . . ?
O9 C77 C82 114.4(4) . . ?
O9 C77 C78 124.9(5) . . ?
C78 C77 C82 120.7(5) . . ?
C60 C55 C54 122.3(5) . . ?
C56 C55 C54 117.3(5) . . ?
C56 C55 C60 120.2(5) . . ?
C30 C37 C38 121.4(4) . . ?
C36 C37 C30 119.0(4) . . ?
C36 C37 C38 119.7(4) . . ?
O11 C83 C82 116.5(4) . . ?
O10 C83 O11 125.3(4) . . ?
O10 C83 C82 118.1(4) . . ?
C74 C73 C72 120.7(5) . . ?
C74 C73 H73 119.7 . . ?
C72 C73 H73 119.7 . . ?
O1 C45 C40 122.7(4) . . ?
O1 C45 C44 120.0(5) . . ?
C40 C45 C44 117.3(5) . . ?
O21 C1 H1A 109.5 . . ?
O21 C1 H1B 109.5 . . ?
O21 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C45 C40 C39 122.1(5) . . ?
C41 C40 C39 117.6(5) . . ?
C41 C40 C45 120.3(5) . . ?
O3 C38 O2 124.1(4) . . ?
O3 C38 C37 117.5(4) . . ?
O2 C38 C37 118.4(4) . . ?
C23 C24 H24 119.2 . . ?
C25 C24 C23 121.6(5) . . ?
C25 C24 H24 119.2 . . ?
C30 C33 H33 120.5 . . ?
C34 C33 C30 118.9(5) . . ?
C34 C33 H33 120.5 . . ?
O8 C60 C55 122.7(5) . . ?
O8 C60 C59 120.2(5) . . ?
C55 C60 C59 117.0(5) . . ?
C27 C26 C25 120.6(5) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C72 C71 C70 121.4(5) . . ?
C72 C71 H71 119.3 . . ?
C70 C71 H71 119.3 . . ?
C79 C80 H80 120.9 . . ?
C81 C80 C79 118.3(5) . . ?
C81 C80 H80 120.9 . . ?
O12 C90 C89 121.8(5) . . ?
O12 C90 C85 120.1(5) . . ?
C89 C90 C85 118.1(5) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C13 C12 C11 120.3(5) . . ?
O4 C29 H29A 109.5 . . ?
O4 C29 H29B 109.5 . . ?
O4 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C12 C11 H11 119.8 . . ?
C10 C11 C12 120.4(5) . . ?
C10 C11 H11 119.8 . . ?
N6 C22 C23 127.6(5) . . ?
N6 C22 H22 116.2 . . ?
C23 C22 H22 116.2 . . ?
O37 C93 H93A 109.5 . . ?
O37 C93 H93B 109.5 . . ?
O37 C93 H93C 109.5 . . ?
H93A C93 H93B 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C35 C34 C33 121.7(5) . . ?
C35 C34 H34 119.1 . . ?
C33 C34 H34 119.1 . . ?
C79 C78 H78 120.0 . . ?
C77 C78 C79 120.1(5) . . ?
C77 C78 H78 120.0 . . ?
C89 C88 H88 119.1 . . ?
C89 C88 C87 121.7(6) . . ?
C87 C88 H88 119.1 . . ?
C40 C41 H41 119.3 . . ?
C42 C41 C40 121.5(5) . . ?
C42 C41 H41 119.3 . . ?
C90 C89 H89 119.8 . . ?
C88 C89 C90 120.4(6) . . ?
C88 C89 H89 119.8 . . ?
C49 C50 H50 120.6 . . ?
C51 C50 C49 118.9(5) . . ?
C51 C50 H50 120.6 . . ?
C90 C85 C84 122.4(5) . . ?
C86 C85 C90 119.8(5) . . ?
C86 C85 C84 117.6(5) . . ?
C82 C81 N3 116.5(4) . . ?
C80 C81 N3 121.4(5) . . ?
C80 C81 C82 122.1(5) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 C14 121.0(5) . . ?
C12 C13 H13 119.5 . . ?
C41 C42 H42 120.5 . . ?
C41 C42 C43 118.9(5) . . ?
C43 C42 H42 120.5 . . ?
C9 C10 H10 119.9 . . ?
C11 C10 C9 120.3(5) . . ?
C11 C10 H10 119.9 . . ?
N3 C84 C85 121.7(5) . . ?
N3 C84 H84 119.1 . . ?
C85 C84 H84 119.1 . . ?
C88 C87 H87 120.3 . . ?
C86 C87 C88 119.3(5) . . ?
C86 C87 H87 120.3 . . ?
C42 C43 H43 119.6 . . ?
C44 C43 C42 120.9(5) . . ?
C44 C43 H43 119.6 . . ?
C52 C51 C50 122.0(5) . . ?
C52 C51 H51 119.0 . . ?
C50 C51 H51 119.0 . . ?
C85 C86 H86 119.7 . . ?
C87 C86 C85 120.6(6) . . ?
C87 C86 H86 119.7 . . ?
C45 C44 H44 119.5 . . ?
C43 C44 C45 121.1(5) . . ?
C43 C44 H44 119.5 . . ?
O5 C46 H46A 109.5 . . ?
O5 C46 H46B 109.5 . . ?
O5 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C55 C56 H56 119.2 . . ?
C57 C56 C55 121.6(6) . . ?
C57 C56 H56 119.2 . . ?
C60 C59 H59 119.3 . . ?
C58 C59 C60 121.3(6) . . ?
C58 C59 H59 119.3 . . ?
C59 C58 H58 119.2 . . ?
C59 C58 C57 121.7(6) . . ?
C57 C58 H58 119.2 . . ?
C56 C57 C58 118.1(6) . . ?
C56 C57 H57 121.0 . . ?
C58 C57 H57 121.0 . . ?
O9 C76 H76A 109.5 . . ?
O9 C76 H76B 109.5 . . ?
O9 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
N10 C91 C92 175.0(15) . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92B 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
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
Dy2 Dy4 3.8823(4) . ?
Dy2 O6 2.320(3) . ?
Dy2 O1 2.203(3) . ?
Dy2 O22 2.369(3) . ?
Dy2 O36 2.464(3) . ?
Dy2 O2 2.548(3) . ?
Dy2 O20 2.339(3) . ?
Dy2 O25 2.340(3) . ?
Dy2 N2 2.506(4) . ?
Dy5 Dy4 3.9700(4) . ?
Dy5 O23 2.371(3) . ?
Dy5 O19 2.315(3) . ?
Dy5 O24 2.273(3) . ?
Dy5 O20 2.290(3) . ?
Dy5 O25 2.360(3) . ?
Dy5 O33 2.462(3) . ?
Dy5 O34 2.427(3) . ?
Dy5 N6 2.485(4) . ?
Dy4 Dy1 3.8792(4) . ?
Dy4 O15 2.531(3) . ?
Dy4 O14 2.527(3) . ?
Dy4 O18 2.524(3) . ?
Dy4 O2 2.426(3) . ?
Dy4 O19 2.506(3) . ?
Dy4 O7 2.446(3) . ?
Dy4 O31 2.464(3) . ?
Dy4 O26 2.411(3) . ?
Dy4 O25 2.411(3) . ?
Dy4 O30 2.444(3) . ?
Dy4 C68 2.923(5) . ?
Dy3 Dy1 3.7106(4) . ?
Dy3 O15 2.310(3) . ?
Dy3 O11 2.344(3) . ?
Dy3 O16 2.297(3) . ?
Dy3 O12 2.263(3) . ?
Dy3 O28 2.470(4) . ?
Dy3 O26 2.380(3) . ?
Dy3 O27 2.413(3) . ?
Dy3 N4 2.494(4) . ?
Dy1 O3 2.316(3) . ?
Dy1 O37 2.467(3) . ?
Dy1 O8 2.220(3) . ?
Dy1 O16 2.345(3) . ?
Dy1 O7 2.513(3) . ?
Dy1 O26 2.332(3) . ?
Dy1 O10 2.389(3) . ?
Dy1 N1 2.536(4) . ?
O13 C62 1.355(6) . ?
O13 C61 1.445(6) . ?
O23 C32 1.269(6) . ?
O6 C53 1.257(6) . ?
O15 C68 1.288(6) . ?
O14 C68 1.247(6) . ?
O11 C83 1.269(6) . ?
O1 C45 1.289(6) . ?
O22 C32 1.254(6) . ?
O3 C38 1.258(6) . ?
O18 C31 1.245(6) . ?
O36 H36 0.880(10) . ?
O36 C94 1.431(6) . ?
O2 C38 1.269(6) . ?
O17 C16 1.355(6) . ?
O17 C15 1.438(6) . ?
O37 H37 0.881(10) . ?
O37 C93 1.428(6) . ?
O19 C31 1.282(6) . ?
O8 C60 1.316(6) . ?
O16 C75 1.322(6) . ?
O12 C90 1.310(6) . ?
O24 C14 1.304(6) . ?
O20 C28 1.336(6) . ?
O21 C2 1.352(6) . ?
O21 C1 1.443(6) . ?
O7 C53 1.274(5) . ?
O28 N9 1.262(6) . ?
O31 N8 1.274(6) . ?
O5 C47 1.360(6) . ?
O5 C46 1.422(6) . ?
O27 N9 1.284(6) . ?
O30 N8 1.266(6) . ?
O33 N7 1.266(6) . ?
O4 C30 1.371(6) . ?
O4 C29 1.418(6) . ?
O34 N7 1.287(6) . ?
O10 C83 1.249(6) . ?
N5 H5 0.8800 . ?
N5 C8 1.306(6) . ?
N5 C6 1.423(6) . ?
N1 C49 1.436(6) . ?
N1 C54 1.299(6) . ?
O9 C77 1.365(7) . ?
O9 C76 1.436(7) . ?
N2 C36 1.444(6) . ?
N2 C39 1.287(6) . ?
N6 C20 1.437(6) . ?
N6 C22 1.301(6) . ?
N7 O35 1.219(6) . ?
N9 O29 1.220(6) . ?
N8 O32 1.228(6) . ?
C62 C67 1.412(7) . ?
C62 C63 1.407(7) . ?
N3 H3 0.8800 . ?
N3 C81 1.425(7) . ?
N3 C84 1.300(7) . ?
C7 C32 1.507(7) . ?
C7 C2 1.413(7) . ?
C7 C6 1.398(7) . ?
C67 C66 1.411(7) . ?
C67 C68 1.486(6) . ?
N4 C66 1.429(6) . ?
N4 C69 1.290(6) . ?
C66 C65 1.406(6) . ?
C20 C21 1.401(7) . ?
C20 C19 1.398(7) . ?
C49 C48 1.389(7) . ?
C49 C50 1.398(7) . ?
C21 C31 1.496(6) . ?
C21 C16 1.407(7) . ?
C30 C37 1.405(7) . ?
C30 C33 1.396(7) . ?
C36 C35 1.392(7) . ?
C36 C37 1.390(7) . ?
C65 H65 0.9500 . ?
C65 C64 1.378(7) . ?
C64 H64 0.9500 . ?
C64 C63 1.386(7) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C2 C3 1.384(7) . ?
C52 H52 0.9500 . ?
C52 C47 1.397(7) . ?
C52 C51 1.382(8) . ?
C8 H8 0.9500 . ?
C8 C9 1.428(7) . ?
C54 H54 0.9500 . ?
C54 C55 1.446(8) . ?
C19 H19 0.9500 . ?
C19 C18 1.378(7) . ?
C28 C23 1.413(7) . ?
C28 C27 1.414(7) . ?
C23 C24 1.410(7) . ?
C23 C22 1.436(7) . ?
C6 C5 1.387(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.389(7) . ?
C4 C3 1.396(7) . ?
C74 H74 0.9500 . ?
C74 C75 1.410(7) . ?
C74 C73 1.375(7) . ?
C69 H69 0.9500 . ?
C69 C70 1.445(7) . ?
C5 H5A 0.9500 . ?
C82 C77 1.404(7) . ?
C82 C83 1.510(7) . ?
C82 C81 1.409(7) . ?
C14 C9 1.424(7) . ?
C14 C13 1.416(7) . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C16 C17 1.392(7) . ?
C79 H79 0.9500 . ?
C79 C80 1.401(8) . ?
C79 C78 1.388(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.383(7) . ?
C75 C70 1.427(7) . ?
C72 H72 0.9500 . ?
C72 C73 1.402(8) . ?
C72 C71 1.381(8) . ?
C70 C71 1.400(7) . ?
C48 C47 1.409(7) . ?
C48 C53 1.499(6) . ?
C39 H39 0.9500 . ?
C39 C40 1.449(7) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C35 H35 0.9500 . ?
C35 C34 1.381(8) . ?
C27 H27 0.9500 . ?
C27 C26 1.382(7) . ?
C18 H18 0.9500 . ?
C9 C10 1.421(7) . ?
C63 H63 0.9500 . ?
C3 H3A 0.9500 . ?
C25 H25 0.9500 . ?
C25 C24 1.375(7) . ?
C25 C26 1.388(8) . ?
C77 C78 1.383(7) . ?
C55 C60 1.412(8) . ?
C55 C56 1.410(8) . ?
C37 C38 1.486(7) . ?
C73 H73 0.9500 . ?
C45 C40 1.417(7) . ?
C45 C44 1.419(7) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C40 C41 1.399(7) . ?
C24 H24 0.9500 . ?
C33 H33 0.9500 . ?
C33 C34 1.394(8) . ?
C60 C59 1.418(8) . ?
C26 H26 0.9500 . ?
C71 H71 0.9500 . ?
C80 H80 0.9500 . ?
C80 C81 1.381(7) . ?
C90 C89 1.417(8) . ?
C90 C85 1.423(8) . ?
C12 H12 0.9500 . ?
C12 C11 1.414(9) . ?
C12 C13 1.373(8) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C11 H11 0.9500 . ?
C11 C10 1.364(8) . ?
C22 H22 0.9500 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C34 H34 0.9500 . ?
C78 H78 0.9500 . ?
C88 H88 0.9500 . ?
C88 C89 1.364(8) . ?
C88 C87 1.409(9) . ?
C41 H41 0.9500 . ?
C41 C42 1.377(8) . ?
C89 H89 0.9500 . ?
C50 H50 0.9500 . ?
C50 C51 1.385(8) . ?
C85 C84 1.429(8) . ?
C85 C86 1.418(8) . ?
C13 H13 0.9500 . ?
C42 H42 0.9500 . ?
C42 C43 1.399(9) . ?
C10 H10 0.9500 . ?
C84 H84 0.9500 . ?
C87 H87 0.9500 . ?
C87 C86 1.368(9) . ?
C43 H43 0.9500 . ?
C43 C44 1.381(8) . ?
C51 H51 0.9500 . ?
C86 H86 0.9500 . ?
C44 H44 0.9500 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C56 H56 0.9500 . ?
C56 C57 1.370(10) . ?
C59 H59 0.9500 . ?
C59 C58 1.367(9) . ?
C58 H58 0.9500 . ?
C58 C57 1.403(10) . ?
C57 H57 0.9500 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
N10 C91 1.154(16) . ?
C91 C92 1.363(18) . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
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 O6 C53 O7 16.6(9) . . . . ?
Dy2 O6 C53 C48 -163.8(4) . . . . ?
Dy2 O1 C45 C40 -49.1(6) . . . . ?
Dy2 O1 C45 C44 130.4(4) . . . . ?
Dy2 O22 C32 O23 -4.0(7) . . . . ?
Dy2 O22 C32 C7 173.8(3) . . . . ?
Dy2 O2 C38 O3 -125.6(4) . . . . ?
Dy2 O2 C38 C37 53.2(5) . . . . ?
Dy2 O20 C28 C23 -147.0(4) . . . . ?
Dy2 O20 C28 C27 31.7(6) . . . . ?
Dy2 N2 C36 C35 -121.4(4) . . . . ?
Dy2 N2 C36 C37 58.0(5) . . . . ?
Dy2 N2 C39 C40 11.1(7) . . . . ?
Dy5 O23 C32 O22 31.9(7) . . . . ?
Dy5 O23 C32 C7 -146.0(3) . . . . ?
Dy5 O19 C31 O18 -131.5(4) . . . . ?
Dy5 O19 C31 C21 49.4(6) . . . . ?
Dy5 O24 C14 C9 147.7(5) . . . . ?
Dy5 O24 C14 C13 -33.7(9) . . . . ?
Dy5 O20 C28 C23 49.6(6) . . . . ?
Dy5 O20 C28 C27 -131.7(4) . . . . ?
Dy5 O33 N7 O34 -0.9(4) . . . . ?
Dy5 O33 N7 O35 178.6(5) . . . . ?
Dy5 O34 N7 O33 0.9(4) . . . . ?
Dy5 O34 N7 O35 -178.6(4) . . . . ?
Dy5 N6 C20 C21 53.3(5) . . . . ?
Dy5 N6 C20 C19 -129.6(4) . . . . ?
Dy5 N6 C22 C23 -8.7(7) . . . . ?
Dy4 O15 C68 O14 -6.3(4) . . . . ?
Dy4 O15 C68 C67 174.1(4) . . . . ?
Dy4 O14 C68 O15 6.3(4) . . . . ?
Dy4 O14 C68 C67 -174.0(4) . . . . ?
Dy4 O18 C31 O19 5.8(4) . . . . ?
Dy4 O18 C31 C21 -175.2(4) . . . . ?
Dy4 O2 C38 O3 21.9(6) . . . . ?
Dy4 O2 C38 C37 -159.2(3) . . . . ?
Dy4 O19 C31 O18 -5.8(4) . . . . ?
Dy4 O19 C31 C21 175.1(3) . . . . ?
Dy4 O7 C53 O6 20.2(6) . . . . ?
Dy4 O7 C53 C48 -159.4(3) . . . . ?
Dy4 O31 N8 O30 3.5(4) . . . . ?
Dy4 O31 N8 O32 -175.5(5) . . . . ?
Dy4 O30 N8 O31 -3.5(5) . . . . ?
Dy4 O30 N8 O32 175.5(5) . . . . ?
Dy3 O15 C68 Dy4 -126.6(4) . . . . ?
Dy3 O15 C68 O14 -132.9(4) . . . . ?
Dy3 O15 C68 C67 47.5(6) . . . . ?
Dy3 O11 C83 O10 31.2(7) . . . . ?
Dy3 O11 C83 C82 -146.7(3) . . . . ?
Dy3 O16 C75 C74 -131.6(4) . . . . ?
Dy3 O16 C75 C70 49.8(5) . . . . ?
Dy3 O12 C90 C89 -13.5(11) . . . . ?
Dy3 O12 C90 C85 167.7(6) . . . . ?
Dy3 O28 N9 O27 -1.9(4) . . . . ?
Dy3 O28 N9 O29 177.9(5) . . . . ?
Dy3 O27 N9 O28 2.0(5) . . . . ?
Dy3 O27 N9 O29 -177.8(5) . . . . ?
Dy3 N4 C66 C67 53.7(5) . . . . ?
Dy3 N4 C66 C65 -129.9(4) . . . . ?
Dy3 N4 C69 C70 -8.3(6) . . . . ?
Dy1 O3 C38 O2 11.5(8) . . . . ?
Dy1 O3 C38 C37 -167.4(4) . . . . ?
Dy1 O8 C60 C55 -42.6(7) . . . . ?
Dy1 O8 C60 C59 140.5(5) . . . . ?
Dy1 O16 C75 C74 33.0(6) . . . . ?
Dy1 O16 C75 C70 -145.6(3) . . . . ?
Dy1 O7 C53 O6 -125.3(4) . . . . ?
Dy1 O7 C53 C48 55.1(5) . . . . ?
Dy1 O10 C83 O11 -3.7(7) . . . . ?
Dy1 O10 C83 C82 174.1(3) . . . . ?
Dy1 N1 C49 C48 54.1(5) . . . . ?
Dy1 N1 C49 C50 -125.9(4) . . . . ?
Dy1 N1 C54 C55 9.0(7) . . . . ?
O13 C62 C67 C66 -173.6(4) . . . . ?
O13 C62 C67 C68 7.2(6) . . . . ?
O13 C62 C63 C64 179.0(4) . . . . ?
O1 C45 C40 C39 -0.7(7) . . . . ?
O1 C45 C40 C41 178.5(5) . . . . ?
O1 C45 C44 C43 -176.1(5) . . . . ?
O17 C16 C17 C18 178.5(5) . . . . ?
O8 C60 C59 C58 177.7(6) . . . . ?
O16 C75 C70 C69 2.7(7) . . . . ?
O16 C75 C70 C71 177.3(4) . . . . ?
O12 C90 C89 C88 -179.7(5) . . . . ?
O12 C90 C85 C84 5.9(8) . . . . ?
O12 C90 C85 C86 -179.1(5) . . . . ?
O24 C14 C9 C8 5.7(7) . . . . ?
O24 C14 C9 C10 -179.8(5) . . . . ?
O24 C14 C13 C12 -179.7(5) . . . . ?
O20 C28 C23 C24 177.8(5) . . . . ?
O20 C28 C23 C22 2.7(8) . . . . ?
O20 C28 C27 C26 -179.4(5) . . . . ?
O21 C2 C3 C4 178.3(4) . . . . ?
O4 C30 C37 C36 178.3(4) . . . . ?
O4 C30 C37 C38 -1.5(7) . . . . ?
O4 C30 C33 C34 -179.1(5) . . . . ?
N5 C8 C9 C14 -0.3(8) . . . . ?
N5 C8 C9 C10 -174.9(5) . . . . ?
N5 C6 C5 C4 -172.3(4) . . . . ?
N1 C49 C48 C47 179.6(4) . . . . ?
N1 C49 C48 C53 1.2(6) . . . . ?
N1 C49 C50 C51 -179.7(4) . . . . ?
N1 C54 C55 C60 15.9(9) . . . . ?
N1 C54 C55 C56 -169.0(6) . . . . ?
O9 C77 C78 C79 177.6(5) . . . . ?
N2 C36 C35 C34 179.6(5) . . . . ?
N2 C36 C37 C30 -178.8(4) . . . . ?
N2 C36 C37 C38 0.9(7) . . . . ?
N2 C39 C40 C45 16.6(8) . . . . ?
N2 C39 C40 C41 -162.6(5) . . . . ?
N6 C20 C21 C31 -9.5(7) . . . . ?
N6 C20 C21 C16 171.3(4) . . . . ?
N6 C20 C19 C18 -175.5(5) . . . . ?
C62 C67 C66 N4 169.4(4) . . . . ?
C62 C67 C66 C65 -7.0(6) . . . . ?
C62 C67 C68 O15 140.3(4) . . . . ?
C62 C67 C68 O14 -39.3(6) . . . . ?
C7 C2 C3 C4 1.2(7) . . . . ?
C7 C6 C5 C4 2.3(7) . . . . ?
C67 C62 C63 C64 -0.6(7) . . . . ?
C67 C66 C65 C64 2.6(7) . . . . ?
N4 C66 C65 C64 -173.8(4) . . . . ?
N4 C69 C70 C75 -23.5(8) . . . . ?
N4 C69 C70 C71 161.8(5) . . . . ?
C66 C67 C68 O15 -38.9(6) . . . . ?
C66 C67 C68 O14 141.5(4) . . . . ?
C66 N4 C69 C70 178.2(4) . . . . ?
C66 C65 C64 C63 3.0(7) . . . . ?
C68 C67 C66 N4 -11.4(6) . . . . ?
C68 C67 C66 C65 172.2(4) . . . . ?
C20 N6 C22 C23 179.0(5) . . . . ?
C20 C21 C31 O18 138.0(5) . . . . ?
C20 C21 C31 O19 -42.9(6) . . . . ?
C20 C21 C16 O17 -174.6(4) . . . . ?
C20 C21 C16 C17 6.1(7) . . . . ?
C20 C19 C18 C17 2.4(8) . . . . ?
C49 N1 C54 C55 -174.9(5) . . . . ?
C49 C48 C47 O5 179.1(4) . . . . ?
C49 C48 C47 C52 0.5(7) . . . . ?
C49 C48 C53 O6 119.8(5) . . . . ?
C49 C48 C53 O7 -60.6(6) . . . . ?
C49 C50 C51 C52 -0.4(8) . . . . ?
C32 C7 C2 O21 -0.8(6) . . . . ?
C32 C7 C2 C3 176.7(4) . . . . ?
C32 C7 C6 N5 -3.6(6) . . . . ?
C32 C7 C6 C5 -178.5(4) . . . . ?
C21 C20 C19 C18 1.6(7) . . . . ?
C21 C16 C17 C18 -2.3(8) . . . . ?
C31 C21 C16 O17 6.2(7) . . . . ?
C31 C21 C16 C17 -173.0(5) . . . . ?
C30 C37 C38 O3 -62.8(6) . . . . ?
C30 C37 C38 O2 118.3(5) . . . . ?
C30 C33 C34 C35 1.5(9) . . . . ?
C36 N2 C39 C40 -177.6(5) . . . . ?
C36 C35 C34 C33 -1.3(8) . . . . ?
C36 C37 C38 O3 117.5(5) . . . . ?
C36 C37 C38 O2 -61.5(6) . . . . ?
C65 C64 C63 C62 -4.0(7) . . . . ?
C61 O13 C62 C67 -179.4(4) . . . . ?
C61 O13 C62 C63 1.0(6) . . . . ?
C2 C7 C32 O23 -121.2(5) . . . . ?
C2 C7 C32 O22 60.8(6) . . . . ?
C2 C7 C6 N5 172.3(4) . . . . ?
C2 C7 C6 C5 -2.5(7) . . . . ?
C8 N5 C6 C7 162.8(5) . . . . ?
C8 N5 C6 C5 -22.3(7) . . . . ?
C8 C9 C10 C11 173.7(6) . . . . ?
C54 N1 C49 C48 -122.2(5) . . . . ?
C54 N1 C49 C50 57.8(6) . . . . ?
C54 C55 C60 O8 -2.7(9) . . . . ?
C54 C55 C60 C59 174.3(5) . . . . ?
C54 C55 C56 C57 -176.1(6) . . . . ?
C19 C20 C21 C31 173.4(4) . . . . ?
C19 C20 C21 C16 -5.8(7) . . . . ?
C28 C23 C24 C25 2.1(8) . . . . ?
C28 C23 C22 N6 -22.9(8) . . . . ?
C28 C27 C26 C25 1.1(8) . . . . ?
C23 C28 C27 C26 -0.6(8) . . . . ?
C6 N5 C8 C9 170.1(5) . . . . ?
C6 C7 C32 O23 54.6(6) . . . . ?
C6 C7 C32 O22 -123.4(5) . . . . ?
C6 C7 C2 O21 -176.7(4) . . . . ?
C6 C7 C2 C3 0.7(7) . . . . ?
C74 C75 C70 C69 -175.9(4) . . . . ?
C74 C75 C70 C71 -1.4(7) . . . . ?
C69 N4 C66 C67 -133.0(4) . . . . ?
C69 N4 C66 C65 43.3(6) . . . . ?
C69 C70 C71 C72 176.6(5) . . . . ?
C5 C4 C3 C2 -1.4(7) . . . . ?
C82 C77 C78 C79 0.0(8) . . . . ?
C14 C9 C10 C11 -1.0(8) . . . . ?
C16 C21 C31 O18 -42.8(6) . . . . ?
C16 C21 C31 O19 136.2(5) . . . . ?
C16 C17 C18 C19 -2.0(8) . . . . ?
C79 C80 C81 N3 -175.9(5) . . . . ?
C79 C80 C81 C82 1.9(8) . . . . ?
C75 C74 C73 C72 0.6(8) . . . . ?
C75 C70 C71 C72 1.6(8) . . . . ?
C48 C49 C50 C51 0.3(7) . . . . ?
C39 N2 C36 C35 67.2(6) . . . . ?
C39 N2 C36 C37 -113.4(5) . . . . ?
C39 C40 C41 C42 176.8(5) . . . . ?
C15 O17 C16 C21 179.7(5) . . . . ?
C15 O17 C16 C17 -1.0(7) . . . . ?
C35 C36 C37 C30 0.6(7) . . . . ?
C35 C36 C37 C38 -179.7(4) . . . . ?
C27 C28 C23 C24 -1.0(7) . . . . ?
C27 C28 C23 C22 -176.1(5) . . . . ?
C9 C14 C13 C12 -1.1(8) . . . . ?
C47 C52 C51 C50 0.5(8) . . . . ?
C47 C48 C53 O6 -58.6(6) . . . . ?
C47 C48 C53 O7 121.1(5) . . . . ?
C53 C48 C47 O5 -2.5(6) . . . . ?
C53 C48 C47 C52 178.9(4) . . . . ?
C63 C62 C67 C66 6.0(6) . . . . ?
C63 C62 C67 C68 -173.2(4) . . . . ?
C3 C4 C5 C6 -0.3(7) . . . . ?
C77 C82 C83 O11 -126.7(5) . . . . ?
C77 C82 C83 O10 55.3(6) . . . . ?
C77 C82 C81 N3 174.8(4) . . . . ?
C77 C82 C81 C80 -3.2(7) . . . . ?
C55 C60 C59 C58 0.6(10) . . . . ?
C55 C56 C57 C58 2.4(12) . . . . ?
C37 C30 C33 C34 -0.6(8) . . . . ?
C37 C36 C35 C34 0.2(8) . . . . ?
C83 C82 C77 O9 1.6(7) . . . . ?
C83 C82 C77 C78 179.4(5) . . . . ?
C83 C82 C81 N3 -2.5(7) . . . . ?
C83 C82 C81 C80 179.5(5) . . . . ?
C73 C74 C75 O16 -178.3(5) . . . . ?
C73 C74 C75 C70 0.3(7) . . . . ?
C73 C72 C71 C70 -0.8(8) . . . . ?
C45 C40 C41 C42 -2.5(8) . . . . ?
C1 O21 C2 C7 179.3(4) . . . . ?
C1 O21 C2 C3 2.0(7) . . . . ?
C40 C45 C44 C43 3.4(7) . . . . ?
C40 C41 C42 C43 3.4(9) . . . . ?
C24 C23 C22 N6 161.9(5) . . . . ?
C24 C25 C26 C27 -0.1(9) . . . . ?
C33 C30 C37 C36 -0.4(7) . . . . ?
C33 C30 C37 C38 179.9(5) . . . . ?
C60 C55 C56 C57 -0.9(10) . . . . ?
C60 C59 C58 C57 0.9(12) . . . . ?
C26 C25 C24 C23 -1.5(9) . . . . ?
C71 C72 C73 C74 -0.3(8) . . . . ?
C80 C79 C78 C77 -1.4(8) . . . . ?
C90 C85 C84 N3 -0.5(9) . . . . ?
C90 C85 C86 C87 -1.0(9) . . . . ?
C12 C11 C10 C9 -0.2(10) . . . . ?
C29 O4 C30 C37 -176.3(5) . . . . ?
C29 O4 C30 C33 2.3(8) . . . . ?
C11 C12 C13 C14 0.0(9) . . . . ?
C22 N6 C20 C21 -134.4(5) . . . . ?
C22 N6 C20 C19 42.7(6) . . . . ?
C22 C23 C24 C25 177.5(5) . . . . ?
C78 C79 C80 C81 0.4(8) . . . . ?
C88 C87 C86 C85 -1.2(10) . . . . ?
C41 C42 C43 C44 -0.9(9) . . . . ?
C89 C90 C85 C84 -173.1(5) . . . . ?
C89 C90 C85 C86 2.0(8) . . . . ?
C89 C88 C87 C86 2.5(9) . . . . ?
C50 C49 C48 C47 -0.4(7) . . . . ?
C50 C49 C48 C53 -178.8(4) . . . . ?
C85 C90 C89 C88 -0.8(8) . . . . ?
C81 N3 C84 C85 171.8(5) . . . . ?
C81 C82 C77 O9 -175.7(4) . . . . ?
C81 C82 C77 C78 2.2(7) . . . . ?
C81 C82 C83 O11 50.5(6) . . . . ?
C81 C82 C83 O10 -127.5(5) . . . . ?
C13 C14 C9 C8 -172.9(5) . . . . ?
C13 C14 C9 C10 1.6(7) . . . . ?
C13 C12 C11 C10 0.7(10) . . . . ?
C42 C43 C44 C45 -2.6(8) . . . . ?
C84 N3 C81 C82 168.4(5) . . . . ?
C84 N3 C81 C80 -13.6(8) . . . . ?
C84 C85 C86 C87 174.3(6) . . . . ?
C87 C88 C89 C90 -1.4(9) . . . . ?
C51 C52 C47 O5 -179.1(4) . . . . ?
C51 C52 C47 C48 -0.6(7) . . . . ?
C86 C85 C84 N3 -175.7(6) . . . . ?
C44 C45 C40 C39 179.8(5) . . . . ?
C44 C45 C40 C41 -0.9(7) . . . . ?
C46 O5 C47 C52 -0.6(7) . . . . ?
C46 O5 C47 C48 -179.1(4) . . . . ?
C56 C55 C60 O8 -177.7(5) . . . . ?
C56 C55 C60 C59 -0.6(8) . . . . ?
C59 C58 C57 C56 -2.4(13) . . . . ?
C76 O9 C77 C82 164.3(6) . . . . ?
C76 O9 C77 C78 -13.4(9) . . . . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 872 244 '1 2[CH3CN],20[H2O]'
