#------------------------------------------------------------------------------
#$Date: 2021-09-06 13:57:47 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268721 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/76/7707668.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_7707668
loop_
_publ_author_name
'Zhang, Li'
'Montigaud, Vincent'
'Le Guennic, Boris'
'Zhang, Peng'
'Tang, Jinkui'
_publ_section_title
;
 Dysprosium(III) compounds assembled via a versatile ligand
 incorporating salicylic hydrazide and 8-hydroxyquinolin units: syntheses,
 structures and magnetic properties.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9457
_journal_page_last               9466
_journal_paper_doi               10.1039/d1dt01525g
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C97 H70 Dy4 N12 O22, 2(C H4 O), O, C2 H3 N'
_chemical_formula_sum            'C101 H83 Dy4 N13 O25'
_chemical_formula_weight         2528.80
_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             2021-06-04
_audit_creation_method
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_audit_update_record
;
2021-06-11 deposited with the CCDC.	2021-06-11 downloaded from the CCDC.
;
_cell_angle_alpha                106.3810(10)
_cell_angle_beta                 94.9340(10)
_cell_angle_gamma                93.7770(10)
_cell_formula_units_Z            2
_cell_length_a                   14.4228(7)
_cell_length_b                   17.5511(9)
_cell_length_c                   20.2386(10)
_cell_measurement_reflns_used    6589
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.98
_cell_measurement_theta_min      2.35
_cell_volume                     4875.1(4)
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_unetI/netI     0.0952
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            25173
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.076
_diffrn_reflns_theta_max         25.076
_diffrn_reflns_theta_min         1.215
_diffrn_source_current           35.0
_diffrn_source_power             1.575
_diffrn_source_voltage           45.0
_exptl_absorpt_coefficient_mu    3.113
_exptl_absorpt_correction_T_max  0.6042
_exptl_absorpt_correction_T_min  0.5609
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Sadabs; bruker, 2000)'
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2488
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.653
_refine_diff_density_min         -1.076
_refine_diff_density_rms         0.176
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1304
_refine_ls_number_reflns         17127
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0765
_refine_ls_R_factor_gt           0.0524
_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)+(0.0358P)²+2.7236P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1045
_refine_ls_wR_factor_ref         0.1199
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12540
_reflns_number_total             17127
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt01525g2.cif
_cod_data_source_block           51D
_cod_depositor_comments
'Adding full bibliography for 7707665--7707669.cif.'
_cod_database_code               7707668
_shelx_shelxl_version_number     2018/3
_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   0.604
_shelx_estimated_absorpt_t_min   0.561
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H17 of O17, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, H6 of O6, H12 of O12, H24A of O24, H23 of O23
2. Uiso/Uaniso restraints and constraints
Uanis(O25) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 O17(H17), N3(H3), N9(H9), C3(H3A), C4(H4), C5(H5), C7(H7), C8(H8), C10(H10),
 C13(H13), C14(H14), C15(H15), C16(H16), C20(H20), C21(H21), C22(H22), C24(H24),
  C25(H25), C27(H27), C30(H30), C31(H31), C32(H32), C33(H33), C37(H37),
 C38(H38), C39(H39), C41(H41), C42(H42), C44(H44), C47(H47), C48(H48), C49(H49),
  C50(H50), C54(H54), C55(H55), C56(H56), C58(H58), C59(H59), C61(H61),
 C64(H64), C65(H65), C66(H66), C67(H67), C71(H71), C72(H72), C73(H73), C74(H74),
  C75(H75), C78(H78), C79(H79), C80(H80), C81(H81), C82(H82), C86(H86),
 C87(H87), C88(H88), C89(H89), C90(H90), C93(H93), C94(H94), C95(H95), C96(H96),
  C97(H97)
3.b Idealised Me refined as rotating group:
 C83(H83A,H83B,H83C), C98(H98A,H98B,H98C), C99(H99A,H99B,H99C), C100(H10A,H10B,
 H10C)
3.c Idealised tetrahedral OH refined as rotating group:
 O6(H6), O12(H12), O23(H23), O24(H24A)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
Dy1 Dy 1.20874(3) 1.28668(2) 0.23151(2) 0.02045(11) Uani 1 1 d . . . . .
Dy2 Dy 1.08459(3) 1.09717(2) 0.24051(2) 0.02098(11) Uani 1 1 d . . . . .
Dy3 Dy 0.68961(3) 0.79023(2) 0.23361(2) 0.01954(10) Uani 1 1 d . . . . .
Dy4 Dy 0.58924(3) 0.60851(2) 0.27474(2) 0.02122(11) Uani 1 1 d . . . . .
O1 O 1.1394(4) 1.1647(3) 0.1587(3) 0.0223(13) Uani 1 1 d . . . . .
O2 O 1.2619(4) 1.3978(3) 0.3265(3) 0.0264(14) Uani 1 1 d . . . . .
O3 O 1.4530(4) 1.5838(3) 0.3196(3) 0.0293(14) Uani 1 1 d . . . . .
O4 O 1.1211(4) 1.2337(3) 0.3007(3) 0.0242(13) Uani 1 1 d . . . . .
O5 O 1.0651(4) 0.9739(3) 0.1567(3) 0.0278(14) Uani 1 1 d . . . . .
O6 O 1.1285(7) 0.7561(4) 0.1896(4) 0.069(2) Uani 1 1 d . . . . .
H6 H 1.124430 0.798979 0.218323 0.104 Uiso 1 1 calc R U . . .
O7 O 0.6279(4) 0.6577(3) 0.1816(3) 0.0250(13) Uani 1 1 d . . . . .
O8 O 0.7555(4) 0.9071(3) 0.3196(3) 0.0270(14) Uani 1 1 d . . . . .
O9 O 0.9473(4) 1.0745(3) 0.2812(3) 0.0254(13) Uani 1 1 d . . . . .
O10 O 0.6073(4) 0.7506(3) 0.3134(3) 0.0224(13) Uani 1 1 d . . . . .
O11 O 0.5917(4) 0.4753(3) 0.2117(3) 0.0300(14) Uani 1 1 d . . . . .
O12 O 0.6519(5) 0.2864(5) 0.2918(4) 0.054(2) Uani 1 1 d . . . . .
H12 H 0.696752 0.318673 0.310729 0.082 Uiso 1 1 calc R U . . .
O13 O 1.2430(4) 1.0917(3) 0.2455(3) 0.0282(14) Uani 1 1 d . . . . .
O14 O 1.3185(4) 1.2127(4) 0.2647(3) 0.0272(14) Uani 1 1 d . . . . .
O15 O 1.1614(4) 1.3911(4) 0.1781(3) 0.0283(14) Uani 1 1 d . . . . .
O16 O 1.0516(4) 1.3172(4) 0.2047(4) 0.0447(18) Uani 1 1 d . . . . .
O17 O 0.9626(4) 1.1497(5) 0.1770(4) 0.052(2) Uani 1 1 d . . . . .
H17 H 0.982668 1.161657 0.138352 0.062 Uiso 1 1 calc R U . . .
O18 O 0.7528(4) 0.6128(4) 0.2843(3) 0.0288(14) Uani 1 1 d . . . . .
O19 O 0.8059(4) 0.7314(3) 0.2767(3) 0.0293(14) Uani 1 1 d . . . . .
O20 O 0.6481(4) 0.8952(4) 0.1817(3) 0.0321(15) Uani 1 1 d . . . . .
O21 O 0.5355(4) 0.8121(4) 0.1893(3) 0.0411(17) Uani 1 1 d . . . . .
O22 O 0.4514(5) 0.5937(5) 0.1915(3) 0.0429(19) Uani 1 1 d . . . . .
O23 O 0.2622(5) 0.5382(4) 0.1895(4) 0.0493(19) Uani 1 1 d . . . . .
H23 H 0.235402 0.493035 0.178325 0.074 Uiso 1 1 calc R U . . .
O24 O 0.4297(5) 0.6790(5) 0.0983(4) 0.060(2) Uani 1 1 d . . . . .
H24A H 0.454865 0.719493 0.127044 0.090 Uiso 1 1 calc R U . . .
O25 O 0.8958(9) 0.4116(9) 0.4059(10) 0.231(7) Uani 1 1 d . U . . .
N1 N 1.2798(4) 1.2436(4) 0.1226(3) 0.0194(15) Uani 1 1 d . . . . .
N2 N 1.3506(4) 1.3702(4) 0.2190(3) 0.0214(16) Uani 1 1 d . . . . .
N3 N 1.3767(5) 1.4384(4) 0.2720(3) 0.0267(17) Uani 1 1 d . . . . .
H3 H 1.424008 1.470649 0.271527 0.032 Uiso 1 1 calc R U . . .
N4 N 1.1304(5) 1.1225(4) 0.3658(3) 0.0259(17) Uani 1 1 d . . . . .
N5 N 1.1108(5) 0.9787(4) 0.2817(3) 0.0266(17) Uani 1 1 d . . . . .
N6 N 1.1105(5) 0.9046(4) 0.2344(4) 0.0328(18) Uani 1 1 d . . . . .
N7 N 0.7541(4) 0.7280(4) 0.1247(3) 0.0215(16) Uani 1 1 d . . . . .
N8 N 0.8314(5) 0.8622(4) 0.2060(3) 0.0244(17) Uani 1 1 d . . . . .
N9 N 0.8612(4) 0.9336(4) 0.2512(3) 0.0217(16) Uani 1 1 d . . . . .
H9 H 0.905595 0.964073 0.243435 0.026 Uiso 1 1 calc R U . . .
N10 N 0.6273(5) 0.6643(4) 0.4007(3) 0.0277(17) Uani 1 1 d . . . . .
N11 N 0.6295(5) 0.5122(4) 0.3412(4) 0.0279(17) Uani 1 1 d . . . . .
N12 N 0.6381(5) 0.4348(4) 0.3072(4) 0.0341(19) Uani 1 1 d . . . . .
N13 N 0.3025(11) 0.8799(10) 0.3978(8) 0.131(6) Uani 1 1 d . . . . .
C1 C 1.2423(6) 1.1758(5) 0.0754(4) 0.0231(19) Uani 1 1 d . . . . .
C2 C 1.1636(6) 1.1340(5) 0.0949(4) 0.0220(19) Uani 1 1 d . . . . .
C3 C 1.1200(6) 1.0668(5) 0.0470(4) 0.028(2) Uani 1 1 d . . . . .
H3A H 1.068294 1.040262 0.058014 0.034 Uiso 1 1 calc R U . . .
C4 C 1.1520(7) 1.0368(6) -0.0194(4) 0.035(2) Uani 1 1 d . . . . .
H4 H 1.121751 0.990469 -0.050497 0.042 Uiso 1 1 calc R U . . .
C5 C 1.2271(6) 1.0755(5) -0.0379(4) 0.030(2) Uani 1 1 d . . . . .
H5 H 1.247140 1.055299 -0.081325 0.037 Uiso 1 1 calc R U . . .
C6 C 1.2740(6) 1.1460(5) 0.0089(4) 0.026(2) Uani 1 1 d . . . . .
C7 C 1.3515(6) 1.1905(6) -0.0039(4) 0.030(2) Uani 1 1 d . . . . .
H7 H 1.377086 1.172813 -0.045597 0.036 Uiso 1 1 calc R U . . .
C8 C 1.3898(6) 1.2595(6) 0.0441(4) 0.034(2) Uani 1 1 d . . . . .
H8 H 1.440089 1.289450 0.034909 0.041 Uiso 1 1 calc R U . . .
C9 C 1.3520(5) 1.2845(5) 0.1076(4) 0.024(2) Uani 1 1 d . . . . .
C10 C 1.3883(5) 1.3566(5) 0.1621(4) 0.024(2) Uani 1 1 d . . . . .
H10 H 1.436314 1.391182 0.155932 0.029 Uiso 1 1 calc R U . . .
C11 C 1.3235(6) 1.4520(5) 0.3254(4) 0.024(2) Uani 1 1 d . . . . .
C12 C 1.3404(6) 1.5280(5) 0.3782(4) 0.0224(19) Uani 1 1 d . . . . .
C13 C 1.2886(6) 1.5401(5) 0.4353(4) 0.026(2) Uani 1 1 d . . . . .
H13 H 1.248486 1.498318 0.439428 0.032 Uiso 1 1 calc R U . . .
C14 C 1.2959(6) 1.6124(6) 0.4852(4) 0.035(2) Uani 1 1 d . . . . .
H14 H 1.262598 1.619286 0.523505 0.042 Uiso 1 1 calc R U . . .
C15 C 1.3540(7) 1.6755(6) 0.4778(5) 0.039(2) Uani 1 1 d . . . . .
H15 H 1.358493 1.725062 0.510848 0.046 Uiso 1 1 calc R U . . .
C16 C 1.4039(6) 1.6652(6) 0.4227(5) 0.034(2) Uani 1 1 d . . . . .
H16 H 1.440695 1.708662 0.418382 0.040 Uiso 1 1 calc R U . . .
C17 C 1.4023(6) 1.5914(5) 0.3718(4) 0.0229(19) Uani 1 1 d . . . . .
C18 C 1.1318(6) 1.1977(6) 0.4062(4) 0.030(2) Uani 1 1 d . . . . .
C19 C 1.1267(6) 1.2572(5) 0.3710(4) 0.029(2) Uani 1 1 d . . . . .
C20 C 1.1203(6) 1.3343(6) 0.4095(4) 0.033(2) Uani 1 1 d . . . . .
H20 H 1.112725 1.373450 0.387204 0.040 Uiso 1 1 calc R U . . .
C21 C 1.1252(7) 1.3555(6) 0.4831(5) 0.044(3) Uani 1 1 d . . . . .
H21 H 1.123021 1.408292 0.508730 0.053 Uiso 1 1 calc R U . . .
C22 C 1.1331(8) 1.2974(7) 0.5158(5) 0.052(3) Uani 1 1 d . . . . .
H22 H 1.136056 1.311557 0.563897 0.062 Uiso 1 1 calc R U . . .
C23 C 1.1367(7) 1.2176(6) 0.4791(4) 0.037(2) Uani 1 1 d . . . . .
C24 C 1.1433(7) 1.1539(7) 0.5092(5) 0.046(3) Uani 1 1 d . . . . .
H24 H 1.149877 1.164132 0.557092 0.055 Uiso 1 1 calc R U . . .
C25 C 1.1400(7) 1.0777(7) 0.4674(5) 0.047(3) Uani 1 1 d . . . . .
H25 H 1.142316 1.035656 0.486866 0.056 Uiso 1 1 calc R U . . .
C26 C 1.1331(6) 1.0621(6) 0.3947(4) 0.033(2) Uani 1 1 d . . . . .
C27 C 1.1276(7) 0.9831(6) 0.3467(5) 0.040(3) Uani 1 1 d . . . . .
H27 H 1.135543 0.938104 0.361499 0.048 Uiso 1 1 calc R U . . .
C28 C 1.0901(6) 0.9099(5) 0.1707(4) 0.027(2) Uani 1 1 d . . . . .
C29 C 1.0932(6) 0.8360(5) 0.1134(5) 0.031(2) Uani 1 1 d . . . . .
C30 C 1.0803(6) 0.8392(6) 0.0445(5) 0.038(2) Uani 1 1 d . . . . .
H30 H 1.068274 0.887121 0.035897 0.046 Uiso 1 1 calc R U . . .
C31 C 1.0851(7) 0.7728(7) -0.0100(5) 0.047(3) Uani 1 1 d . . . . .
H31 H 1.075537 0.775054 -0.055464 0.056 Uiso 1 1 calc R U . . .
C32 C 1.1041(8) 0.7034(7) 0.0039(6) 0.059(3) Uani 1 1 d . . . . .
H32 H 1.109335 0.658693 -0.032918 0.071 Uiso 1 1 calc R U . . .
C33 C 1.1158(8) 0.6970(7) 0.0692(7) 0.065(4) Uani 1 1 d . . . . .
H33 H 1.125650 0.648030 0.076535 0.079 Uiso 1 1 calc R U . . .
C34 C 1.1128(8) 0.7642(6) 0.1253(5) 0.047(3) Uani 1 1 d . . . . .
C35 C 0.7151(5) 0.6554(5) 0.0871(4) 0.0215(19) Uani 1 1 d . . . . .
C36 C 0.6449(5) 0.6176(5) 0.1180(4) 0.0209(19) Uani 1 1 d . . . . .
C37 C 0.6023(6) 0.5444(5) 0.0796(4) 0.031(2) Uani 1 1 d . . . . .
H37 H 0.557271 0.518538 0.098032 0.038 Uiso 1 1 calc R U . . .
C38 C 0.6257(6) 0.5080(5) 0.0128(4) 0.033(2) Uani 1 1 d . . . . .
H38 H 0.593471 0.459403 -0.012405 0.040 Uiso 1 1 calc R U . . .
C39 C 0.6933(6) 0.5403(6) -0.0168(4) 0.033(2) Uani 1 1 d . . . . .
H39 H 0.708624 0.513340 -0.060458 0.040 Uiso 1 1 calc R U . . .
C40 C 0.7396(6) 0.6151(5) 0.0200(4) 0.025(2) Uani 1 1 d . . . . .
C41 C 0.8129(6) 0.6558(6) -0.0032(5) 0.033(2) Uani 1 1 d . . . . .
H41 H 0.831251 0.633599 -0.046925 0.040 Uiso 1 1 calc R U . . .
C42 C 0.8565(6) 0.7261(5) 0.0374(4) 0.029(2) Uani 1 1 d . . . . .
H42 H 0.907522 0.750200 0.023267 0.035 Uiso 1 1 calc R U . . .
C43 C 0.8238(6) 0.7618(5) 0.1007(4) 0.023(2) Uani 1 1 d . . . . .
C44 C 0.8636(5) 0.8384(5) 0.1470(4) 0.0233(19) Uani 1 1 d . . . . .
H44 H 0.910396 0.868908 0.134473 0.028 Uiso 1 1 calc R U . . .
C45 C 0.8179(6) 0.9551(5) 0.3093(4) 0.0233(19) Uani 1 1 d . . . . .
C46 C 0.8419(5) 1.0353(5) 0.3534(4) 0.0223(19) Uani 1 1 d . . . . .
C47 C 0.7984(6) 1.0597(6) 0.4160(4) 0.031(2) Uani 1 1 d . . . . .
H47 H 0.758987 1.022439 0.427451 0.038 Uiso 1 1 calc R U . . .
C48 C 0.8121(6) 1.1344(6) 0.4587(4) 0.037(2) Uani 1 1 d . . . . .
H48 H 0.784995 1.147630 0.500064 0.045 Uiso 1 1 calc R U . . .
C49 C 0.8672(6) 1.1916(6) 0.4406(5) 0.042(3) Uani 1 1 d . . . . .
H49 H 0.875819 1.243847 0.469177 0.051 Uiso 1 1 calc R U . . .
C50 C 0.9090(6) 1.1710(5) 0.3805(5) 0.034(2) Uani 1 1 d . . . . .
H50 H 0.943828 1.210572 0.368423 0.041 Uiso 1 1 calc R U . . .
C51 C 0.9014(5) 1.0935(5) 0.3371(4) 0.024(2) Uani 1 1 d . . . . .
C52 C 0.6200(6) 0.7429(6) 0.4283(4) 0.028(2) Uani 1 1 d . . . . .
C53 C 0.6102(5) 0.7894(5) 0.3808(4) 0.0230(19) Uani 1 1 d . . . . .
C54 C 0.6004(6) 0.8682(6) 0.4070(5) 0.035(2) Uani 1 1 d . . . . .
H54 H 0.591951 0.898943 0.376674 0.042 Uiso 1 1 calc R U . . .
C55 C 0.6027(7) 0.9051(6) 0.4789(5) 0.040(2) Uani 1 1 d . . . . .
H55 H 0.597004 0.959537 0.494736 0.047 Uiso 1 1 calc R U . . .
C56 C 0.6131(6) 0.8623(6) 0.5257(5) 0.036(2) Uani 1 1 d . . . . .
H56 H 0.614327 0.887249 0.572891 0.044 Uiso 1 1 calc R U . . .
C57 C 0.6219(7) 0.7804(6) 0.5013(5) 0.038(2) Uani 1 1 d . . . . .
C58 C 0.6315(7) 0.7305(6) 0.5435(5) 0.040(3) Uani 1 1 d . . . . .
H58 H 0.633228 0.751578 0.591265 0.048 Uiso 1 1 calc R U . . .
C59 C 0.6383(7) 0.6512(6) 0.5157(5) 0.042(3) Uani 1 1 d . . . . .
H59 H 0.644021 0.618377 0.544467 0.050 Uiso 1 1 calc R U . . .
C60 C 0.6366(7) 0.6188(6) 0.4434(4) 0.036(2) Uani 1 1 d . . . . .
C61 C 0.6432(6) 0.5338(5) 0.4088(4) 0.034(2) Uani 1 1 d . . . . .
H61 H 0.656255 0.497749 0.433557 0.041 Uiso 1 1 calc R U . . .
C62 C 0.6183(6) 0.4225(5) 0.2391(5) 0.031(2) Uani 1 1 d . . . . .
C63 C 0.6289(6) 0.3407(5) 0.1947(5) 0.032(2) Uani 1 1 d . . . . .
C64 C 0.6239(7) 0.3261(6) 0.1241(5) 0.044(3) Uani 1 1 d . . . . .
H64 H 0.615189 0.368069 0.105342 0.053 Uiso 1 1 calc R U . . .
C65 C 0.6314(7) 0.2511(6) 0.0799(6) 0.048(3) Uani 1 1 d . . . . .
H65 H 0.629169 0.243132 0.032361 0.058 Uiso 1 1 calc R U . . .
C66 C 0.6423(7) 0.1890(7) 0.1074(6) 0.055(3) Uani 1 1 d . . . . .
H66 H 0.645177 0.137910 0.078170 0.066 Uiso 1 1 calc R U . . .
C67 C 0.6490(7) 0.2013(6) 0.1776(6) 0.049(3) Uani 1 1 d . . . . .
H67 H 0.657369 0.158545 0.195457 0.059 Uiso 1 1 calc R U . . .
C68 C 0.6435(6) 0.2774(6) 0.2230(6) 0.039(2) Uani 1 1 d . . . . .
C69 C 1.3154(6) 1.1401(6) 0.2637(4) 0.026(2) Uani 1 1 d . . . . .
C70 C 1.4035(5) 1.1079(5) 0.2851(4) 0.024(2) Uani 1 1 d . . . . .
C71 C 1.3972(6) 1.0313(5) 0.2914(4) 0.030(2) Uani 1 1 d . . . . .
H71 H 1.340876 0.999158 0.279776 0.036 Uiso 1 1 calc R U . . .
C72 C 1.4788(6) 1.0035(6) 0.3159(5) 0.039(2) Uani 1 1 d . . . . .
H72 H 1.475995 0.952644 0.321463 0.047 Uiso 1 1 calc R U . . .
C73 C 1.5629(7) 1.0503(6) 0.3318(5) 0.043(3) Uani 1 1 d . . . . .
H73 H 1.616657 1.030581 0.346683 0.052 Uiso 1 1 calc R U . . .
C74 C 1.5664(6) 1.1273(6) 0.3254(5) 0.044(3) Uani 1 1 d . . . . .
H74 H 1.622722 1.159478 0.336294 0.053 Uiso 1 1 calc R U . . .
C75 C 1.4872(6) 1.1559(6) 0.3031(4) 0.033(2) Uani 1 1 d . . . . .
H75 H 1.489605 1.207888 0.300105 0.040 Uiso 1 1 calc R U . . .
C76 C 1.0761(6) 1.3756(5) 0.1826(4) 0.027(2) Uani 1 1 d . . . . .
C77 C 1.0033(6) 1.4237(5) 0.1625(4) 0.024(2) Uani 1 1 d . . . . .
C78 C 1.0262(7) 1.4790(6) 0.1277(5) 0.039(2) Uani 1 1 d . . . . .
H78 H 1.086561 1.485724 0.116116 0.047 Uiso 1 1 calc R U . . .
C79 C 0.9575(8) 1.5239(7) 0.1105(6) 0.058(3) Uani 1 1 d . . . . .
H79 H 0.972363 1.562055 0.088275 0.069 Uiso 1 1 calc R U . . .
C80 C 0.8679(7) 1.5124(7) 0.1259(5) 0.051(3) Uani 1 1 d . . . . .
H80 H 0.821703 1.541375 0.112801 0.061 Uiso 1 1 calc R U . . .
C81 C 0.8463(6) 1.4574(6) 0.1612(5) 0.044(3) Uani 1 1 d . . . . .
H81 H 0.786293 1.451528 0.173714 0.053 Uiso 1 1 calc R U . . .
C82 C 0.9133(6) 1.4117(6) 0.1777(5) 0.040(2) Uani 1 1 d . . . . .
H82 H 0.897932 1.372880 0.199131 0.048 Uiso 1 1 calc R U . . .
C83 C 0.8687(6) 1.1656(7) 0.1864(6) 0.055(3) Uani 1 1 d . . . . .
H83A H 0.835718 1.120887 0.195303 0.083 Uiso 1 1 calc R U . . .
H83B H 0.839132 1.174579 0.145249 0.083 Uiso 1 1 calc R U . . .
H83C H 0.867817 1.212255 0.224946 0.083 Uiso 1 1 calc R U . . .
C84 C 0.8178(6) 0.6662(5) 0.2888(4) 0.025(2) Uani 1 1 d . . . . .
C85 C 0.9147(6) 0.6537(6) 0.3120(4) 0.031(2) Uani 1 1 d . . . . .
C86 C 0.9344(7) 0.5873(7) 0.3305(5) 0.045(3) Uani 1 1 d . . . . .
H86 H 0.887323 0.546071 0.323430 0.054 Uiso 1 1 calc R U . . .
C87 C 1.0218(8) 0.5791(8) 0.3595(6) 0.060(3) Uani 1 1 d . . . . .
H87 H 1.033842 0.532734 0.371020 0.072 Uiso 1 1 calc R U . . .
C88 C 1.0916(8) 0.6412(10) 0.3711(6) 0.076(4) Uani 1 1 d . . . . .
H88 H 1.150241 0.637864 0.392436 0.091 Uiso 1 1 calc R U . . .
C89 C 1.0733(8) 0.7089(9) 0.3505(6) 0.070(4) Uani 1 1 d . . . . .
H89 H 1.120165 0.749904 0.355800 0.084 Uiso 1 1 calc R U . . .
C90 C 0.9843(7) 0.7133(7) 0.3222(5) 0.054(3) Uani 1 1 d . . . . .
H90 H 0.971250 0.758850 0.309651 0.065 Uiso 1 1 calc R U . . .
C91 C 0.5632(6) 0.8736(5) 0.1723(4) 0.026(2) Uani 1 1 d . . . . .
C92 C 0.4934(6) 0.9162(5) 0.1416(4) 0.027(2) Uani 1 1 d . . . . .
C93 C 0.5238(7) 0.9821(6) 0.1227(5) 0.045(3) Uani 1 1 d . . . . .
H93 H 0.586918 1.000179 0.129665 0.054 Uiso 1 1 calc R U . . .
C94 C 0.4588(8) 1.0215(7) 0.0931(6) 0.066(4) Uani 1 1 d . . . . .
H94 H 0.478591 1.065877 0.079668 0.079 Uiso 1 1 calc R U . . .
C95 C 0.3639(7) 0.9945(7) 0.0834(5) 0.052(3) Uani 1 1 d . . . . .
H95 H 0.321131 1.020241 0.062360 0.062 Uiso 1 1 calc R U . . .
C96 C 0.3341(7) 0.9324(7) 0.1039(5) 0.052(3) Uani 1 1 d . . . . .
H96 H 0.270576 0.916026 0.098941 0.063 Uiso 1 1 calc R U . . .
C97 C 0.3984(6) 0.8921(6) 0.1328(5) 0.042(3) Uani 1 1 d . . . . .
H97 H 0.377473 0.848243 0.146558 0.051 Uiso 1 1 calc R U . . .
C98 C 0.2137(7) 0.5897(7) 0.2387(6) 0.060(3) Uani 1 1 d . . . . .
H98A H 0.257265 0.620746 0.276827 0.090 Uiso 1 1 calc R U . . .
H98B H 0.168742 0.558757 0.255247 0.090 Uiso 1 1 calc R U . . .
H98C H 0.182079 0.624719 0.217458 0.090 Uiso 1 1 calc R U . . .
C99 C 0.3292(8) 0.6845(8) 0.0891(6) 0.075(4) Uani 1 1 d . . . . .
H99A H 0.301897 0.677794 0.129002 0.112 Uiso 1 1 calc R U . . .
H99B H 0.301676 0.643555 0.048577 0.112 Uiso 1 1 calc R U . . .
H99C H 0.317778 0.735861 0.083832 0.112 Uiso 1 1 calc R U . . .
C100 C 0.3638(9) 0.7811(8) 0.2915(6) 0.080(4) Uani 1 1 d . . . . .
H10A H 0.410202 0.808273 0.272799 0.121 Uiso 1 1 calc R U . . .
H10B H 0.312318 0.758595 0.256514 0.121 Uiso 1 1 calc R U . . .
H10C H 0.390668 0.739370 0.306433 0.121 Uiso 1 1 calc R U . . .
C101 C 0.3298(9) 0.8389(10) 0.3516(8) 0.078(5) Uani 1 1 d . . . . .
H22A H 0.390(6) 0.571(5) 0.194(4) 0.04(3) Uiso 1 1 d . . . . .
H22B H 0.443(7) 0.634(7) 0.171(5) 0.07(4) Uiso 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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
O1 Dy1 Dy2 39.78(12) . . ?
O1 Dy1 O2 165.43(17) . . ?
O1 Dy1 O15 107.02(19) . . ?
O1 Dy1 O16 77.7(2) . . ?
O1 Dy1 N1 67.1(2) . . ?
O1 Dy1 N2 129.6(2) . . ?
O2 Dy1 Dy2 125.76(12) . . ?
O2 Dy1 O15 82.60(19) . . ?
O2 Dy1 O16 100.7(2) . . ?
O2 Dy1 N1 126.4(2) . . ?
O2 Dy1 N2 63.6(2) . . ?
O4 Dy1 Dy2 37.45(14) . . ?
O4 Dy1 O1 75.21(18) . . ?
O4 Dy1 O2 90.33(18) . . ?
O4 Dy1 O15 125.15(19) . . ?
O4 Dy1 O16 75.71(19) . . ?
O4 Dy1 N1 139.8(2) . . ?
O4 Dy1 N2 149.4(2) . . ?
O14 Dy1 Dy2 72.42(14) . . ?
O14 Dy1 O1 85.0(2) . . ?
O14 Dy1 O2 91.4(2) . . ?
O14 Dy1 O4 82.28(19) . . ?
O14 Dy1 O15 151.73(19) . . ?
O14 Dy1 O16 154.8(2) . . ?
O14 Dy1 N1 81.1(2) . . ?
O14 Dy1 N2 82.7(2) . . ?
O15 Dy1 Dy2 132.66(13) . . ?
O15 Dy1 N2 69.91(19) . . ?
O16 Dy1 Dy2 82.60(15) . . ?
O16 Dy1 O15 52.88(19) . . ?
O16 Dy1 N1 108.1(2) . . ?
O16 Dy1 N2 122.5(2) . . ?
N1 Dy1 Dy2 102.43(16) . . ?
N1 Dy1 O15 80.4(2) . . ?
N1 Dy1 N2 62.8(2) . . ?
N2 Dy1 Dy2 153.06(15) . . ?
O1 Dy2 Dy1 37.61(13) . . ?
O1 Dy2 O17 64.31(18) . . ?
O1 Dy2 N4 130.8(2) . . ?
O1 Dy2 N5 140.9(2) . . ?
O4 Dy2 Dy1 36.39(12) . . ?
O4 Dy2 O1 72.09(18) . . ?
O4 Dy2 O17 82.5(2) . . ?
O4 Dy2 N4 66.4(2) . . ?
O4 Dy2 N5 128.8(2) . . ?
O5 Dy2 Dy1 128.00(14) . . ?
O5 Dy2 O1 92.14(18) . . ?
O5 Dy2 O4 164.18(18) . . ?
O5 Dy2 O17 91.8(2) . . ?
O5 Dy2 N4 126.6(2) . . ?
O5 Dy2 N5 63.5(2) . . ?
O9 Dy2 Dy1 130.58(14) . . ?
O9 Dy2 O1 136.67(18) . . ?
O9 Dy2 O4 99.87(19) . . ?
O9 Dy2 O5 92.4(2) . . ?
O9 Dy2 O13 149.63(19) . . ?
O9 Dy2 O17 72.49(19) . . ?
O9 Dy2 N4 77.1(2) . . ?
O9 Dy2 N5 77.7(2) . . ?
O13 Dy2 Dy1 68.09(14) . . ?
O13 Dy2 O1 73.48(18) . . ?
O13 Dy2 O4 85.1(2) . . ?
O13 Dy2 O5 89.3(2) . . ?
O13 Dy2 O17 137.79(19) . . ?
O13 Dy2 N4 77.6(2) . . ?
O13 Dy2 N5 76.0(2) . . ?
O17 Dy2 Dy1 78.42(16) . . ?
O17 Dy2 N4 131.5(2) . . ?
O17 Dy2 N5 140.3(2) . . ?
N4 Dy2 Dy1 94.58(16) . . ?
N4 Dy2 N5 63.2(2) . . ?
N5 Dy2 Dy1 141.26(16) . . ?
O7 Dy3 Dy4 37.70(12) . . ?
O7 Dy3 O8 160.21(18) . . ?
O7 Dy3 O20 120.48(19) . . ?
O7 Dy3 O21 80.2(2) . . ?
O7 Dy3 N7 67.0(2) . . ?
O7 Dy3 N8 128.0(2) . . ?
O8 Dy3 Dy4 123.12(12) . . ?
O8 Dy3 O20 77.7(2) . . ?
O8 Dy3 O21 109.1(2) . . ?
O8 Dy3 N7 125.8(2) . . ?
O8 Dy3 N8 63.6(2) . . ?
O10 Dy3 Dy4 37.70(14) . . ?
O10 Dy3 O7 72.62(19) . . ?
O10 Dy3 O8 90.89(18) . . ?
O10 Dy3 O20 124.65(18) . . ?
O10 Dy3 O21 82.62(19) . . ?
O10 Dy3 N7 138.1(2) . . ?
O10 Dy3 N8 149.9(2) . . ?
O19 Dy3 Dy4 70.30(14) . . ?
O19 Dy3 O7 82.7(2) . . ?
O19 Dy3 O8 84.5(2) . . ?
O19 Dy3 O10 83.10(19) . . ?
O19 Dy3 O20 146.7(2) . . ?
O19 Dy3 O21 160.4(2) . . ?
O19 Dy3 N7 81.5(2) . . ?
O19 Dy3 N8 79.0(2) . . ?
O20 Dy3 Dy4 142.75(14) . . ?
O20 Dy3 N7 86.4(2) . . ?
O20 Dy3 N8 68.0(2) . . ?
O21 Dy3 Dy4 90.20(15) . . ?
O21 Dy3 O20 52.6(2) . . ?
O21 Dy3 N7 100.5(2) . . ?
O21 Dy3 N8 119.5(2) . . ?
N7 Dy3 Dy4 100.45(16) . . ?
N7 Dy3 N8 62.4(2) . . ?
N8 Dy3 Dy4 146.99(15) . . ?
O3 Dy4 Dy3 131.38(15) 1_445 . ?
O3 Dy4 O7 135.04(19) 1_445 . ?
O3 Dy4 O10 100.32(19) 1_445 . ?
O3 Dy4 O11 93.1(2) 1_445 . ?
O3 Dy4 O18 147.79(19) 1_445 . ?
O3 Dy4 O22 67.7(2) 1_445 . ?
O3 Dy4 N10 75.6(2) 1_445 . ?
O3 Dy4 N11 76.0(2) 1_445 . ?
O7 Dy4 Dy3 37.12(13) . . ?
O7 Dy4 O10 70.86(18) . . ?
O7 Dy4 O22 69.9(2) . . ?
O7 Dy4 N10 131.3(2) . . ?
O7 Dy4 N11 144.4(2) . . ?
O10 Dy4 Dy3 36.42(12) . . ?
O10 Dy4 O22 97.3(2) . . ?
O10 Dy4 N10 66.1(2) . . ?
O10 Dy4 N11 128.5(2) . . ?
O11 Dy4 Dy3 127.88(14) . . ?
O11 Dy4 O7 93.86(19) . . ?
O11 Dy4 O10 164.28(18) . . ?
O11 Dy4 O18 85.4(2) . . ?
O11 Dy4 O22 80.3(2) . . ?
O11 Dy4 N10 125.9(2) . . ?
O11 Dy4 N11 62.6(2) . . ?
O18 Dy4 Dy3 70.17(14) . . ?
O18 Dy4 O7 77.08(18) . . ?
O18 Dy4 O10 87.43(19) . . ?
O18 Dy4 O22 142.8(2) . . ?
O18 Dy4 N10 79.3(2) . . ?
O18 Dy4 N11 74.8(2) . . ?
O22 Dy4 Dy3 92.14(18) . . ?
O22 Dy4 N10 136.2(2) . . ?
O22 Dy4 N11 125.8(3) . . ?
N10 Dy4 Dy3 94.71(16) . . ?
N10 Dy4 N11 63.3(2) . . ?
N11 Dy4 Dy3 141.61(16) . . ?
Dy1 O1 Dy2 102.61(19) . . ?
C2 O1 Dy1 121.9(5) . . ?
C2 O1 Dy2 129.8(5) . . ?
C11 O2 Dy1 124.4(5) . . ?
C17 O3 Dy4 151.6(5) . 1_665 ?
Dy1 O4 Dy2 106.2(2) . . ?
C19 O4 Dy1 127.4(5) . . ?
C19 O4 Dy2 119.1(5) . . ?
C28 O5 Dy2 121.4(5) . . ?
C34 O6 H6 109.5 . . ?
Dy3 O7 Dy4 105.2(2) . . ?
C36 O7 Dy3 121.6(5) . . ?
C36 O7 Dy4 129.3(5) . . ?
C45 O8 Dy3 123.2(5) . . ?
C51 O9 Dy2 143.6(5) . . ?
Dy3 O10 Dy4 105.9(2) . . ?
C53 O10 Dy3 126.2(5) . . ?
C53 O10 Dy4 120.4(5) . . ?
C62 O11 Dy4 122.8(6) . . ?
C68 O12 H12 109.5 . . ?
C69 O13 Dy2 137.5(6) . . ?
C69 O14 Dy1 132.1(5) . . ?
C76 O15 Dy1 92.6(5) . . ?
C76 O16 Dy1 95.4(5) . . ?
Dy2 O17 H17 112.9 . . ?
C83 O17 Dy2 134.3(5) . . ?
C83 O17 H17 112.9 . . ?
C84 O18 Dy4 134.3(5) . . ?
C84 O19 Dy3 138.4(6) . . ?
C91 O20 Dy3 94.4(5) . . ?
C91 O21 Dy3 94.8(5) . . ?
Dy4 O22 H22A 128(5) . . ?
Dy4 O22 H22B 119(7) . . ?
H22A O22 H22B 105(8) . . ?
C98 O23 H23 109.5 . . ?
C99 O24 H24A 109.5 . . ?
C1 N1 Dy1 117.9(5) . . ?
C9 N1 Dy1 123.5(5) . . ?
C9 N1 C1 118.6(7) . . ?
N3 N2 Dy1 116.2(5) . . ?
C10 N2 Dy1 122.0(5) . . ?
C10 N2 N3 121.1(7) . . ?
N2 N3 H3 122.0 . . ?
C11 N3 N2 115.9(7) . . ?
C11 N3 H3 122.0 . . ?
C18 N4 Dy2 117.2(5) . . ?
C18 N4 C26 119.9(7) . . ?
C26 N4 Dy2 121.2(6) . . ?
N6 N5 Dy2 119.9(5) . . ?
C27 N5 Dy2 123.0(6) . . ?
C27 N5 N6 117.1(8) . . ?
C28 N6 N5 109.6(7) . . ?
C35 N7 Dy3 117.3(5) . . ?
C43 N7 Dy3 124.3(6) . . ?
C43 N7 C35 118.4(7) . . ?
N9 N8 Dy3 115.9(5) . . ?
C44 N8 Dy3 121.6(5) . . ?
C44 N8 N9 121.5(7) . . ?
N8 N9 H9 121.7 . . ?
N8 N9 C45 116.6(6) . . ?
C45 N9 H9 121.7 . . ?
C52 N10 Dy4 117.3(5) . . ?
C60 N10 Dy4 122.8(6) . . ?
C60 N10 C52 118.6(7) . . ?
N12 N11 Dy4 120.2(5) . . ?
C61 N11 Dy4 122.1(6) . . ?
C61 N11 N12 117.7(7) . . ?
C62 N12 N11 109.7(7) . . ?
N1 C1 C2 116.0(7) . . ?
N1 C1 C6 123.6(8) . . ?
C6 C1 C2 120.4(8) . . ?
O1 C2 C1 116.9(7) . . ?
O1 C2 C3 125.1(7) . . ?
C3 C2 C1 118.0(8) . . ?
C2 C3 H3A 119.2 . . ?
C2 C3 C4 121.5(8) . . ?
C4 C3 H3A 119.2 . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.7(8) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 119.8 . . ?
C4 C5 C6 120.4(8) . . ?
C6 C5 H5 119.8 . . ?
C5 C6 C1 118.9(8) . . ?
C7 C6 C1 115.5(8) . . ?
C7 C6 C5 125.6(8) . . ?
C6 C7 H7 119.6 . . ?
C8 C7 C6 120.9(8) . . ?
C8 C7 H7 119.6 . . ?
C7 C8 H8 120.5 . . ?
C7 C8 C9 119.0(8) . . ?
C9 C8 H8 120.5 . . ?
N1 C9 C8 122.3(8) . . ?
N1 C9 C10 114.7(7) . . ?
C8 C9 C10 123.0(8) . . ?
N2 C10 C9 116.6(7) . . ?
N2 C10 H10 121.7 . . ?
C9 C10 H10 121.7 . . ?
O2 C11 N3 118.6(8) . . ?
O2 C11 C12 123.5(7) . . ?
N3 C11 C12 118.0(8) . . ?
C13 C12 C11 117.7(7) . . ?
C13 C12 C17 119.7(8) . . ?
C17 C12 C11 122.5(7) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 C12 121.2(8) . . ?
C14 C13 H13 119.4 . . ?
C13 C14 H14 120.4 . . ?
C13 C14 C15 119.2(8) . . ?
C15 C14 H14 120.4 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.4(9) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 118.6 . . ?
C15 C16 C17 122.7(9) . . ?
C17 C16 H16 118.6 . . ?
O3 C17 C12 122.7(8) . . ?
O3 C17 C16 120.6(8) . . ?
C16 C17 C12 116.6(8) . . ?
N4 C18 C19 115.9(7) . . ?
N4 C18 C23 122.7(8) . . ?
C23 C18 C19 121.4(9) . . ?
O4 C19 C18 118.2(8) . . ?
O4 C19 C20 123.5(8) . . ?
C20 C19 C18 118.1(8) . . ?
C19 C20 H20 119.4 . . ?
C19 C20 C21 121.2(9) . . ?
C21 C20 H20 119.4 . . ?
C20 C21 H21 120.3 . . ?
C22 C21 C20 119.4(9) . . ?
C22 C21 H21 120.3 . . ?
C21 C22 H22 119.1 . . ?
C21 C22 C23 121.9(9) . . ?
C23 C22 H22 119.1 . . ?
C18 C23 C24 116.9(9) . . ?
C22 C23 C18 117.9(9) . . ?
C22 C23 C24 125.2(8) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 C23 119.6(8) . . ?
C25 C24 H24 120.2 . . ?
C24 C25 H25 119.8 . . ?
C24 C25 C26 120.4(9) . . ?
C26 C25 H25 119.8 . . ?
N4 C26 C25 120.4(9) . . ?
N4 C26 C27 115.7(8) . . ?
C25 C26 C27 123.9(8) . . ?
N5 C27 C26 115.8(8) . . ?
N5 C27 H27 122.1 . . ?
C26 C27 H27 122.1 . . ?
O5 C28 N6 124.2(8) . . ?
O5 C28 C29 119.5(8) . . ?
N6 C28 C29 116.3(8) . . ?
C30 C29 C28 119.1(8) . . ?
C34 C29 C28 122.2(9) . . ?
C34 C29 C30 118.6(9) . . ?
C29 C30 H30 119.5 . . ?
C31 C30 C29 121.1(10) . . ?
C31 C30 H30 119.5 . . ?
C30 C31 H31 120.8 . . ?
C32 C31 C30 118.4(10) . . ?
C32 C31 H31 120.8 . . ?
C31 C32 H32 118.6 . . ?
C33 C32 C31 122.7(11) . . ?
C33 C32 H32 118.6 . . ?
C32 C33 H33 120.2 . . ?
C32 C33 C34 119.5(12) . . ?
C34 C33 H33 120.2 . . ?
O6 C34 C29 122.7(9) . . ?
O6 C34 C33 117.8(10) . . ?
C29 C34 C33 119.5(10) . . ?
N7 C35 C36 116.6(7) . . ?
N7 C35 C40 123.4(7) . . ?
C40 C35 C36 120.0(8) . . ?
O7 C36 C35 116.5(7) . . ?
O7 C36 C37 125.9(8) . . ?
C37 C36 C35 117.5(8) . . ?
C36 C37 H37 119.6 . . ?
C36 C37 C38 120.9(8) . . ?
C38 C37 H37 119.6 . . ?
C37 C38 H38 118.4 . . ?
C39 C38 C37 123.2(9) . . ?
C39 C38 H38 118.4 . . ?
C38 C39 H39 120.7 . . ?
C38 C39 C40 118.6(8) . . ?
C40 C39 H39 120.7 . . ?
C39 C40 C35 119.7(8) . . ?
C39 C40 C41 125.3(8) . . ?
C41 C40 C35 114.9(8) . . ?
C40 C41 H41 119.4 . . ?
C42 C41 C40 121.1(8) . . ?
C42 C41 H41 119.4 . . ?
C41 C42 H42 120.5 . . ?
C41 C42 C43 119.0(8) . . ?
C43 C42 H42 120.5 . . ?
N7 C43 C42 122.9(8) . . ?
N7 C43 C44 113.7(7) . . ?
C42 C43 C44 123.4(7) . . ?
N8 C44 C43 117.2(7) . . ?
N8 C44 H44 121.4 . . ?
C43 C44 H44 121.4 . . ?
O8 C45 N9 119.4(7) . . ?
O8 C45 C46 124.0(8) . . ?
N9 C45 C46 116.4(7) . . ?
C47 C46 C45 118.0(7) . . ?
C51 C46 C45 124.4(7) . . ?
C51 C46 C47 117.5(8) . . ?
C46 C47 H47 118.7 . . ?
C48 C47 C46 122.6(8) . . ?
C48 C47 H47 118.7 . . ?
C47 C48 H48 120.4 . . ?
C47 C48 C49 119.2(9) . . ?
C49 C48 H48 120.4 . . ?
C48 C49 H49 120.0 . . ?
C50 C49 C48 120.0(9) . . ?
C50 C49 H49 120.0 . . ?
C49 C50 H50 118.7 . . ?
C49 C50 C51 122.6(8) . . ?
C51 C50 H50 118.7 . . ?
O9 C51 C46 121.0(7) . . ?
O9 C51 C50 121.1(7) . . ?
C50 C51 C46 117.8(8) . . ?
N10 C52 C53 116.7(8) . . ?
N10 C52 C57 123.2(8) . . ?
C53 C52 C57 120.0(8) . . ?
O10 C53 C52 117.0(8) . . ?
O10 C53 C54 125.0(7) . . ?
C54 C53 C52 117.9(8) . . ?
C53 C54 H54 119.0 . . ?
C53 C54 C55 122.1(9) . . ?
C55 C54 H54 119.0 . . ?
C54 C55 H55 119.3 . . ?
C56 C55 C54 121.4(9) . . ?
C56 C55 H55 119.3 . . ?
C55 C56 H56 120.6 . . ?
C55 C56 C57 118.9(9) . . ?
C57 C56 H56 120.6 . . ?
C56 C57 C52 119.8(8) . . ?
C58 C57 C52 116.0(9) . . ?
C58 C57 C56 124.3(9) . . ?
C57 C58 H58 119.6 . . ?
C59 C58 C57 120.7(9) . . ?
C59 C58 H58 119.6 . . ?
C58 C59 H59 119.9 . . ?
C58 C59 C60 120.1(8) . . ?
C60 C59 H59 119.9 . . ?
N10 C60 C59 121.3(9) . . ?
N10 C60 C61 114.8(8) . . ?
C59 C60 C61 123.9(8) . . ?
N11 C61 C60 115.8(8) . . ?
N11 C61 H61 122.1 . . ?
C60 C61 H61 122.1 . . ?
O11 C62 N12 124.2(8) . . ?
O11 C62 C63 120.0(8) . . ?
N12 C62 C63 115.8(8) . . ?
C64 C63 C62 119.6(9) . . ?
C64 C63 C68 118.7(9) . . ?
C68 C63 C62 121.7(9) . . ?
C63 C64 H64 118.8 . . ?
C63 C64 C65 122.4(10) . . ?
C65 C64 H64 118.8 . . ?
C64 C65 H65 120.6 . . ?
C66 C65 C64 118.8(11) . . ?
C66 C65 H65 120.6 . . ?
C65 C66 H66 119.7 . . ?
C67 C66 C65 120.6(10) . . ?
C67 C66 H66 119.7 . . ?
C66 C67 H67 119.5 . . ?
C66 C67 C68 121.0(10) . . ?
C68 C67 H67 119.5 . . ?
O12 C68 C63 123.0(9) . . ?
O12 C68 C67 118.6(9) . . ?
C67 C68 C63 118.4(10) . . ?
O13 C69 O14 124.5(8) . . ?
O13 C69 C70 116.7(8) . . ?
O14 C69 C70 118.8(8) . . ?
C71 C70 C69 118.2(8) . . ?
C71 C70 C75 121.0(8) . . ?
C75 C70 C69 120.6(8) . . ?
C70 C71 H71 121.1 . . ?
C70 C71 C72 117.8(8) . . ?
C72 C71 H71 121.1 . . ?
C71 C72 H72 119.3 . . ?
C73 C72 C71 121.3(9) . . ?
C73 C72 H72 119.3 . . ?
C72 C73 H73 120.4 . . ?
C72 C73 C74 119.2(9) . . ?
C74 C73 H73 120.4 . . ?
C73 C74 H74 119.9 . . ?
C75 C74 C73 120.2(9) . . ?
C75 C74 H74 119.9 . . ?
C70 C75 H75 119.8 . . ?
C74 C75 C70 120.4(9) . . ?
C74 C75 H75 119.8 . . ?
O15 C76 O16 119.0(8) . . ?
O15 C76 C77 121.8(8) . . ?
O16 C76 C77 119.2(8) . . ?
C78 C77 C76 120.0(8) . . ?
C82 C77 C76 119.4(8) . . ?
C82 C77 C78 120.6(8) . . ?
C77 C78 H78 120.5 . . ?
C79 C78 C77 118.9(9) . . ?
C79 C78 H78 120.5 . . ?
C78 C79 H79 119.8 . . ?
C80 C79 C78 120.5(10) . . ?
C80 C79 H79 119.8 . . ?
C79 C80 H80 120.1 . . ?
C79 C80 C81 119.9(9) . . ?
C81 C80 H80 120.1 . . ?
C80 C81 H81 119.9 . . ?
C82 C81 C80 120.2(9) . . ?
C82 C81 H81 119.9 . . ?
C77 C82 H82 120.1 . . ?
C81 C82 C77 119.7(9) . . ?
C81 C82 H82 120.1 . . ?
O17 C83 H83A 109.5 . . ?
O17 C83 H83B 109.5 . . ?
O17 C83 H83C 109.5 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
O18 C84 C85 119.0(8) . . ?
O19 C84 O18 124.0(8) . . ?
O19 C84 C85 116.9(8) . . ?
C86 C85 C84 121.7(9) . . ?
C90 C85 C84 119.6(9) . . ?
C90 C85 C86 118.4(9) . . ?
C85 C86 H86 118.9 . . ?
C85 C86 C87 122.2(11) . . ?
C87 C86 H86 118.9 . . ?
C86 C87 H87 120.6 . . ?
C86 C87 C88 118.8(11) . . ?
C88 C87 H87 120.6 . . ?
C87 C88 H88 120.1 . . ?
C87 C88 C89 119.8(11) . . ?
C89 C88 H88 120.1 . . ?
C88 C89 H89 120.9 . . ?
C90 C89 C88 118.3(12) . . ?
C90 C89 H89 120.9 . . ?
C85 C90 C89 122.5(11) . . ?
C85 C90 H90 118.7 . . ?
C89 C90 H90 118.7 . . ?
O20 C91 O21 118.2(8) . . ?
O20 C91 C92 122.6(8) . . ?
O21 C91 C92 119.2(8) . . ?
C93 C92 C91 119.0(8) . . ?
C93 C92 C97 119.2(8) . . ?
C97 C92 C91 121.8(8) . . ?
C92 C93 H93 120.4 . . ?
C92 C93 C94 119.2(10) . . ?
C94 C93 H93 120.4 . . ?
C93 C94 H94 119.9 . . ?
C93 C94 C95 120.2(10) . . ?
C95 C94 H94 119.9 . . ?
C94 C95 H95 119.7 . . ?
C96 C95 C94 120.7(9) . . ?
C96 C95 H95 119.7 . . ?
C95 C96 H96 120.2 . . ?
C95 C96 C97 119.6(10) . . ?
C97 C96 H96 120.2 . . ?
C92 C97 C96 121.1(9) . . ?
C92 C97 H97 119.4 . . ?
C96 C97 H97 119.4 . . ?
O23 C98 H98A 109.5 . . ?
O23 C98 H98B 109.5 . . ?
O23 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
O24 C99 H99A 109.5 . . ?
O24 C99 H99B 109.5 . . ?
O24 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
H10A C100 H10B 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C101 C100 H10A 109.5 . . ?
C101 C100 H10B 109.5 . . ?
C101 C100 H10C 109.5 . . ?
N13 C101 C100 177.2(17) . . ?
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 3.7304(6) . ?
Dy1 O1 2.333(6) . ?
Dy1 O2 2.351(5) . ?
Dy1 O4 2.304(5) . ?
Dy1 O14 2.284(5) . ?
Dy1 O15 2.481(5) . ?
Dy1 O16 2.414(6) . ?
Dy1 N1 2.456(6) . ?
Dy1 N2 2.511(7) . ?
Dy2 O1 2.446(5) . ?
Dy2 O4 2.362(6) . ?
Dy2 O5 2.325(6) . ?
Dy2 O9 2.262(5) . ?
Dy2 O13 2.287(6) . ?
Dy2 O17 2.467(6) . ?
Dy2 N4 2.471(7) . ?
Dy2 N5 2.487(7) . ?
Dy3 Dy4 3.7493(6) . ?
Dy3 O7 2.344(6) . ?
Dy3 O8 2.364(6) . ?
Dy3 O10 2.314(5) . ?
Dy3 O19 2.263(6) . ?
Dy3 O20 2.447(6) . ?
Dy3 O21 2.420(6) . ?
Dy3 N7 2.458(6) . ?
Dy3 N8 2.518(7) . ?
Dy4 O3 2.300(5) 1_445 ?
Dy4 O7 2.375(5) . ?
Dy4 O10 2.384(6) . ?
Dy4 O11 2.330(6) . ?
Dy4 O18 2.344(6) . ?
Dy4 O22 2.443(7) . ?
Dy4 N10 2.458(7) . ?
Dy4 N11 2.507(7) . ?
O1 C2 1.337(9) . ?
O2 C11 1.264(9) . ?
O3 C17 1.318(9) . ?
O4 C19 1.359(9) . ?
O5 C28 1.299(10) . ?
O6 H6 0.8200 . ?
O6 C34 1.349(11) . ?
O7 C36 1.334(9) . ?
O8 C45 1.262(9) . ?
O9 C51 1.331(9) . ?
O10 C53 1.337(9) . ?
O11 C62 1.272(10) . ?
O12 H12 0.8200 . ?
O12 C68 1.349(11) . ?
O13 C69 1.261(10) . ?
O14 C69 1.268(10) . ?
O15 C76 1.260(9) . ?
O16 C76 1.271(10) . ?
O17 H17 0.9300 . ?
O17 C83 1.418(10) . ?
O18 C84 1.260(10) . ?
O19 C84 1.256(10) . ?
O20 C91 1.241(10) . ?
O21 C91 1.273(10) . ?
O22 H22A 0.96(9) . ?
O22 H22B 0.92(11) . ?
O23 H23 0.8200 . ?
O23 C98 1.412(11) . ?
O24 H24A 0.8200 . ?
O24 C99 1.460(12) . ?
N1 C1 1.344(10) . ?
N1 C9 1.330(10) . ?
N2 N3 1.369(9) . ?
N2 C10 1.284(9) . ?
N3 H3 0.8600 . ?
N3 C11 1.354(9) . ?
N4 C18 1.340(11) . ?
N4 C26 1.348(10) . ?
N5 N6 1.381(10) . ?
N5 C27 1.296(10) . ?
N6 C28 1.328(10) . ?
N7 C35 1.344(10) . ?
N7 C43 1.330(10) . ?
N8 N9 1.344(9) . ?
N8 C44 1.288(9) . ?
N9 H9 0.8600 . ?
N9 C45 1.351(9) . ?
N10 C52 1.350(11) . ?
N10 C60 1.336(10) . ?
N11 N12 1.357(10) . ?
N11 C61 1.306(10) . ?
N12 C62 1.336(11) . ?
N13 C101 1.126(18) . ?
C1 C2 1.453(11) . ?
C1 C6 1.427(11) . ?
C2 C3 1.370(11) . ?
C3 H3A 0.9300 . ?
C3 C4 1.427(11) . ?
C4 H4 0.9300 . ?
C4 C5 1.375(12) . ?
C5 H5 0.9300 . ?
C5 C6 1.415(12) . ?
C6 C7 1.406(12) . ?
C7 H7 0.9300 . ?
C7 C8 1.369(13) . ?
C8 H8 0.9300 . ?
C8 C9 1.406(11) . ?
C9 C10 1.456(11) . ?
C10 H10 0.9300 . ?
C11 C12 1.446(11) . ?
C12 C13 1.405(11) . ?
C12 C17 1.421(11) . ?
C13 H13 0.9300 . ?
C13 C14 1.372(12) . ?
C14 H14 0.9300 . ?
C14 C15 1.394(13) . ?
C15 H15 0.9300 . ?
C15 C16 1.354(11) . ?
C16 H16 0.9300 . ?
C16 C17 1.407(12) . ?
C18 C19 1.422(12) . ?
C18 C23 1.412(11) . ?
C19 C20 1.372(12) . ?
C20 H20 0.9300 . ?
C20 C21 1.424(12) . ?
C21 H21 0.9300 . ?
C21 C22 1.368(14) . ?
C22 H22 0.9300 . ?
C22 C23 1.395(14) . ?
C23 C24 1.420(13) . ?
C24 H24 0.9300 . ?
C24 C25 1.361(14) . ?
C25 H25 0.9300 . ?
C25 C26 1.412(12) . ?
C26 C27 1.444(13) . ?
C27 H27 0.9300 . ?
C28 C29 1.483(12) . ?
C29 C30 1.407(12) . ?
C29 C34 1.390(13) . ?
C30 H30 0.9300 . ?
C30 C31 1.370(13) . ?
C31 H31 0.9300 . ?
C31 C32 1.366(14) . ?
C32 H32 0.9300 . ?
C32 C33 1.354(15) . ?
C33 H33 0.9300 . ?
C33 C34 1.393(14) . ?
C35 C36 1.453(11) . ?
C35 C40 1.429(10) . ?
C36 C37 1.373(11) . ?
C37 H37 0.9300 . ?
C37 C38 1.402(11) . ?
C38 H38 0.9300 . ?
C38 C39 1.361(12) . ?
C39 H39 0.9300 . ?
C39 C40 1.404(12) . ?
C40 C41 1.421(11) . ?
C41 H41 0.9300 . ?
C41 C42 1.352(12) . ?
C42 H42 0.9300 . ?
C42 C43 1.396(11) . ?
C43 C44 1.452(12) . ?
C44 H44 0.9300 . ?
C45 C46 1.439(11) . ?
C46 C47 1.430(11) . ?
C46 C51 1.420(11) . ?
C47 H47 0.9300 . ?
C47 C48 1.342(12) . ?
C48 H48 0.9300 . ?
C48 C49 1.389(13) . ?
C49 H49 0.9300 . ?
C49 C50 1.370(12) . ?
C50 H50 0.9300 . ?
C50 C51 1.388(12) . ?
C52 C53 1.428(11) . ?
C52 C57 1.435(12) . ?
C53 C54 1.357(12) . ?
C54 H54 0.9300 . ?
C54 C55 1.412(12) . ?
C55 H55 0.9300 . ?
C55 C56 1.370(12) . ?
C56 H56 0.9300 . ?
C56 C57 1.401(13) . ?
C57 C58 1.390(12) . ?
C58 H58 0.9300 . ?
C58 C59 1.359(13) . ?
C59 H59 0.9300 . ?
C59 C60 1.411(12) . ?
C60 C61 1.471(12) . ?
C61 H61 0.9300 . ?
C62 C63 1.488(12) . ?
C63 C64 1.372(12) . ?
C63 C68 1.407(12) . ?
C64 H64 0.9300 . ?
C64 C65 1.384(13) . ?
C65 H65 0.9300 . ?
C65 C66 1.370(14) . ?
C66 H66 0.9300 . ?
C66 C67 1.369(14) . ?
C67 H67 0.9300 . ?
C67 C68 1.404(13) . ?
C69 C70 1.503(11) . ?
C70 C71 1.384(12) . ?
C70 C75 1.385(11) . ?
C71 H71 0.9300 . ?
C71 C72 1.407(11) . ?
C72 H72 0.9300 . ?
C72 C73 1.378(13) . ?
C73 H73 0.9300 . ?
C73 C74 1.393(13) . ?
C74 H74 0.9300 . ?
C74 C75 1.369(12) . ?
C75 H75 0.9300 . ?
C76 C77 1.488(11) . ?
C77 C78 1.390(12) . ?
C77 C82 1.375(12) . ?
C78 H78 0.9300 . ?
C78 C79 1.386(13) . ?
C79 H79 0.9300 . ?
C79 C80 1.371(14) . ?
C80 H80 0.9300 . ?
C80 C81 1.387(14) . ?
C81 H81 0.9300 . ?
C81 C82 1.374(12) . ?
C82 H82 0.9300 . ?
C83 H83A 0.9600 . ?
C83 H83B 0.9600 . ?
C83 H83C 0.9600 . ?
C84 C85 1.486(11) . ?
C85 C86 1.361(12) . ?
C85 C90 1.360(13) . ?
C86 H86 0.9300 . ?
C86 C87 1.377(13) . ?
C87 H87 0.9300 . ?
C87 C88 1.389(17) . ?
C88 H88 0.9300 . ?
C88 C89 1.398(17) . ?
C89 H89 0.9300 . ?
C89 C90 1.376(14) . ?
C90 H90 0.9300 . ?
C91 C92 1.487(11) . ?
C92 C93 1.374(12) . ?
C92 C97 1.388(12) . ?
C93 H93 0.9300 . ?
C93 C94 1.393(12) . ?
C94 H94 0.9300 . ?
C94 C95 1.397(14) . ?
C95 H95 0.9300 . ?
C95 C96 1.331(14) . ?
C96 H96 0.9300 . ?
C96 C97 1.389(12) . ?
C97 H97 0.9300 . ?
C98 H98A 0.9600 . ?
C98 H98B 0.9600 . ?
C98 H98C 0.9600 . ?
C99 H99A 0.9600 . ?
C99 H99B 0.9600 . ?
C99 H99C 0.9600 . ?
C100 H10A 0.9600 . ?
C100 H10B 0.9600 . ?
C100 H10C 0.9600 . ?
C100 C101 1.490(18) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C2 C1 6.3(9) . . . . ?
Dy1 O1 C2 C3 -173.4(6) . . . . ?
Dy1 O2 C11 N3 -14.5(10) . . . . ?
Dy1 O2 C11 C12 165.6(6) . . . . ?
Dy1 O4 C19 C18 -131.5(7) . . . . ?
Dy1 O4 C19 C20 53.8(11) . . . . ?
Dy1 O14 C69 O13 -3.8(12) . . . . ?
Dy1 O14 C69 C70 175.7(5) . . . . ?
Dy1 O15 C76 O16 -4.5(8) . . . . ?
Dy1 O15 C76 C77 175.6(7) . . . . ?
Dy1 O16 C76 O15 4.7(9) . . . . ?
Dy1 O16 C76 C77 -175.5(6) . . . . ?
Dy1 N1 C1 C2 -1.1(9) . . . . ?
Dy1 N1 C1 C6 177.1(6) . . . . ?
Dy1 N1 C9 C8 -178.3(6) . . . . ?
Dy1 N1 C9 C10 1.6(10) . . . . ?
Dy1 N2 N3 C11 0.9(8) . . . . ?
Dy1 N2 C10 C9 -7.4(9) . . . . ?
Dy2 O1 C2 C1 -142.3(6) . . . . ?
Dy2 O1 C2 C3 38.0(11) . . . . ?
Dy2 O4 C19 C18 14.3(10) . . . . ?
Dy2 O4 C19 C20 -160.4(7) . . . . ?
Dy2 O5 C28 N6 14.1(11) . . . . ?
Dy2 O5 C28 C29 -168.5(6) . . . . ?
Dy2 O9 C51 C46 -141.8(7) . . . . ?
Dy2 O9 C51 C50 39.2(13) . . . . ?
Dy2 O13 C69 O14 -25.1(13) . . . . ?
Dy2 O13 C69 C70 155.4(6) . . . . ?
Dy2 N4 C18 C19 -13.1(10) . . . . ?
Dy2 N4 C18 C23 165.9(7) . . . . ?
Dy2 N4 C26 C25 -166.7(7) . . . . ?
Dy2 N4 C26 C27 12.7(11) . . . . ?
Dy2 N5 N6 C28 -3.3(9) . . . . ?
Dy2 N5 C27 C26 -1.8(12) . . . . ?
Dy3 O7 C36 C35 9.5(9) . . . . ?
Dy3 O7 C36 C37 -170.6(7) . . . . ?
Dy3 O8 C45 N9 -11.6(10) . . . . ?
Dy3 O8 C45 C46 163.4(6) . . . . ?
Dy3 O10 C53 C52 -133.8(6) . . . . ?
Dy3 O10 C53 C54 49.3(11) . . . . ?
Dy3 O19 C84 O18 -8.3(13) . . . . ?
Dy3 O19 C84 C85 173.8(5) . . . . ?
Dy3 O20 C91 O21 -1.8(8) . . . . ?
Dy3 O20 C91 C92 178.8(7) . . . . ?
Dy3 O21 C91 O20 1.8(8) . . . . ?
Dy3 O21 C91 C92 -178.8(6) . . . . ?
Dy3 N7 C35 C36 -6.0(9) . . . . ?
Dy3 N7 C35 C40 174.3(6) . . . . ?
Dy3 N7 C43 C42 -177.6(6) . . . . ?
Dy3 N7 C43 C44 3.6(9) . . . . ?
Dy3 N8 N9 C45 6.3(8) . . . . ?
Dy3 N8 C44 C43 -9.0(9) . . . . ?
Dy4 O3 C17 C12 -141.4(9) 1_665 . . . ?
Dy4 O3 C17 C16 41.8(15) 1_665 . . . ?
Dy4 O7 C36 C35 -145.0(5) . . . . ?
Dy4 O7 C36 C37 34.9(11) . . . . ?
Dy4 O10 C53 C52 11.5(9) . . . . ?
Dy4 O10 C53 C54 -165.3(7) . . . . ?
Dy4 O11 C62 N12 7.4(12) . . . . ?
Dy4 O11 C62 C63 -172.8(6) . . . . ?
Dy4 O18 C84 O19 -13.3(12) . . . . ?
Dy4 O18 C84 C85 164.5(5) . . . . ?
Dy4 N10 C52 C53 -12.8(10) . . . . ?
Dy4 N10 C52 C57 167.4(7) . . . . ?
Dy4 N10 C60 C59 -166.1(7) . . . . ?
Dy4 N10 C60 C61 12.9(11) . . . . ?
Dy4 N11 N12 C62 -2.7(9) . . . . ?
Dy4 N11 C61 C60 -2.0(11) . . . . ?
O1 C2 C3 C4 -178.2(7) . . . . ?
O2 C11 C12 C13 3.3(12) . . . . ?
O2 C11 C12 C17 -172.5(8) . . . . ?
O4 C19 C20 C21 179.0(8) . . . . ?
O5 C28 C29 C30 7.8(12) . . . . ?
O5 C28 C29 C34 -175.2(9) . . . . ?
O7 C36 C37 C38 179.8(7) . . . . ?
O8 C45 C46 C47 5.8(12) . . . . ?
O8 C45 C46 C51 -170.1(8) . . . . ?
O10 C53 C54 C55 178.9(8) . . . . ?
O11 C62 C63 C64 10.1(13) . . . . ?
O11 C62 C63 C68 -169.7(8) . . . . ?
O13 C69 C70 C71 -7.6(11) . . . . ?
O13 C69 C70 C75 177.3(8) . . . . ?
O14 C69 C70 C71 172.8(8) . . . . ?
O14 C69 C70 C75 -2.3(12) . . . . ?
O15 C76 C77 C78 10.5(13) . . . . ?
O15 C76 C77 C82 -170.6(8) . . . . ?
O16 C76 C77 C78 -169.4(9) . . . . ?
O16 C76 C77 C82 9.5(12) . . . . ?
O18 C84 C85 C86 -2.1(13) . . . . ?
O18 C84 C85 C90 -174.9(8) . . . . ?
O19 C84 C85 C86 175.9(8) . . . . ?
O19 C84 C85 C90 3.0(12) . . . . ?
O20 C91 C92 C93 0.0(13) . . . . ?
O20 C91 C92 C97 -178.6(9) . . . . ?
O21 C91 C92 C93 -179.4(9) . . . . ?
O21 C91 C92 C97 2.0(13) . . . . ?
N1 C1 C2 O1 -3.2(10) . . . . ?
N1 C1 C2 C3 176.6(7) . . . . ?
N1 C1 C6 C5 -177.6(8) . . . . ?
N1 C1 C6 C7 2.9(11) . . . . ?
N1 C9 C10 N2 3.8(11) . . . . ?
N2 N3 C11 O2 8.1(11) . . . . ?
N2 N3 C11 C12 -172.0(7) . . . . ?
N3 N2 C10 C9 -176.8(7) . . . . ?
N3 C11 C12 C13 -176.6(7) . . . . ?
N3 C11 C12 C17 7.6(12) . . . . ?
N4 C18 C19 O4 -0.2(12) . . . . ?
N4 C18 C19 C20 174.8(8) . . . . ?
N4 C18 C23 C22 -176.8(9) . . . . ?
N4 C18 C23 C24 2.1(14) . . . . ?
N4 C26 C27 N5 -6.9(13) . . . . ?
N5 N6 C28 O5 -6.4(12) . . . . ?
N5 N6 C28 C29 176.1(7) . . . . ?
N6 N5 C27 C26 176.3(8) . . . . ?
N6 C28 C29 C30 -174.5(8) . . . . ?
N6 C28 C29 C34 2.4(13) . . . . ?
N7 C35 C36 O7 -1.8(10) . . . . ?
N7 C35 C36 C37 178.2(7) . . . . ?
N7 C35 C40 C39 -178.1(8) . . . . ?
N7 C35 C40 C41 3.3(12) . . . . ?
N7 C43 C44 N8 3.6(10) . . . . ?
N8 N9 C45 O8 2.7(11) . . . . ?
N8 N9 C45 C46 -172.7(7) . . . . ?
N9 N8 C44 C43 -177.3(7) . . . . ?
N9 C45 C46 C47 -179.1(7) . . . . ?
N9 C45 C46 C51 5.0(12) . . . . ?
N10 C52 C53 O10 1.3(11) . . . . ?
N10 C52 C53 C54 178.4(8) . . . . ?
N10 C52 C57 C56 -179.5(9) . . . . ?
N10 C52 C57 C58 -0.3(14) . . . . ?
N10 C60 C61 N11 -6.8(13) . . . . ?
N11 N12 C62 O11 -2.7(12) . . . . ?
N11 N12 C62 C63 177.5(7) . . . . ?
N12 N11 C61 C60 177.8(8) . . . . ?
N12 C62 C63 C64 -170.1(8) . . . . ?
N12 C62 C63 C68 10.1(13) . . . . ?
C1 N1 C9 C8 0.5(12) . . . . ?
C1 N1 C9 C10 -179.5(7) . . . . ?
C1 C2 C3 C4 2.0(12) . . . . ?
C1 C6 C7 C8 -2.8(12) . . . . ?
C2 C1 C6 C5 0.5(11) . . . . ?
C2 C1 C6 C7 -179.0(7) . . . . ?
C2 C3 C4 C5 -1.3(13) . . . . ?
C3 C4 C5 C6 0.1(13) . . . . ?
C4 C5 C6 C1 0.2(12) . . . . ?
C4 C5 C6 C7 179.7(8) . . . . ?
C5 C6 C7 C8 177.8(8) . . . . ?
C6 C1 C2 O1 178.6(7) . . . . ?
C6 C1 C2 C3 -1.7(11) . . . . ?
C6 C7 C8 C9 1.7(13) . . . . ?
C7 C8 C9 N1 -0.5(13) . . . . ?
C7 C8 C9 C10 179.6(8) . . . . ?
C8 C9 C10 N2 -176.3(7) . . . . ?
C9 N1 C1 C2 180.0(7) . . . . ?
C9 N1 C1 C6 -1.9(11) . . . . ?
C10 N2 N3 C11 170.9(7) . . . . ?
C11 C12 C13 C14 -175.5(8) . . . . ?
C11 C12 C17 O3 -4.4(12) . . . . ?
C11 C12 C17 C16 172.5(8) . . . . ?
C12 C13 C14 C15 1.9(13) . . . . ?
C13 C12 C17 O3 179.9(7) . . . . ?
C13 C12 C17 C16 -3.2(12) . . . . ?
C13 C14 C15 C16 -1.2(14) . . . . ?
C14 C15 C16 C17 -1.8(14) . . . . ?
C15 C16 C17 O3 -179.1(8) . . . . ?
C15 C16 C17 C12 3.9(13) . . . . ?
C17 C12 C13 C14 0.4(12) . . . . ?
C18 N4 C26 C25 -1.7(13) . . . . ?
C18 N4 C26 C27 177.7(8) . . . . ?
C18 C19 C20 C21 4.2(14) . . . . ?
C18 C23 C24 C25 -3.2(15) . . . . ?
C19 C18 C23 C22 2.2(14) . . . . ?
C19 C18 C23 C24 -178.9(9) . . . . ?
C19 C20 C21 C22 -2.3(15) . . . . ?
C20 C21 C22 C23 0.1(16) . . . . ?
C21 C22 C23 C18 -0.1(16) . . . . ?
C21 C22 C23 C24 -178.9(10) . . . . ?
C22 C23 C24 C25 175.6(11) . . . . ?
C23 C18 C19 O4 -179.3(8) . . . . ?
C23 C18 C19 C20 -4.2(13) . . . . ?
C23 C24 C25 C26 2.1(16) . . . . ?
C24 C25 C26 N4 0.4(15) . . . . ?
C24 C25 C26 C27 -178.9(10) . . . . ?
C25 C26 C27 N5 172.4(9) . . . . ?
C26 N4 C18 C19 -178.7(8) . . . . ?
C26 N4 C18 C23 0.3(13) . . . . ?
C27 N5 N6 C28 178.4(8) . . . . ?
C28 C29 C30 C31 178.3(9) . . . . ?
C28 C29 C34 O6 1.4(16) . . . . ?
C28 C29 C34 C33 -179.3(10) . . . . ?
C29 C30 C31 C32 -1.0(15) . . . . ?
C30 C29 C34 O6 178.3(10) . . . . ?
C30 C29 C34 C33 -2.3(16) . . . . ?
C30 C31 C32 C33 2.0(17) . . . . ?
C31 C32 C33 C34 -3.1(19) . . . . ?
C32 C33 C34 O6 -177.3(11) . . . . ?
C32 C33 C34 C29 3.3(18) . . . . ?
C34 C29 C30 C31 1.2(14) . . . . ?
C35 N7 C43 C42 1.5(11) . . . . ?
C35 N7 C43 C44 -177.3(7) . . . . ?
C35 C36 C37 C38 -0.3(12) . . . . ?
C35 C40 C41 C42 1.7(12) . . . . ?
C36 C35 C40 C39 2.2(12) . . . . ?
C36 C35 C40 C41 -176.4(7) . . . . ?
C36 C37 C38 C39 2.7(14) . . . . ?
C37 C38 C39 C40 -2.6(14) . . . . ?
C38 C39 C40 C35 0.1(13) . . . . ?
C38 C39 C40 C41 178.5(8) . . . . ?
C39 C40 C41 C42 -176.7(9) . . . . ?
C40 C35 C36 O7 177.9(7) . . . . ?
C40 C35 C36 C37 -2.0(11) . . . . ?
C40 C41 C42 C43 -4.9(13) . . . . ?
C41 C42 C43 N7 3.4(12) . . . . ?
C41 C42 C43 C44 -178.0(8) . . . . ?
C42 C43 C44 N8 -175.2(7) . . . . ?
C43 N7 C35 C36 174.8(7) . . . . ?
C43 N7 C35 C40 -4.9(11) . . . . ?
C44 N8 N9 C45 175.3(7) . . . . ?
C45 C46 C47 C48 -176.4(8) . . . . ?
C45 C46 C51 O9 -6.8(13) . . . . ?
C45 C46 C51 C50 172.2(8) . . . . ?
C46 C47 C48 C49 3.0(14) . . . . ?
C47 C46 C51 O9 177.3(7) . . . . ?
C47 C46 C51 C50 -3.7(12) . . . . ?
C47 C48 C49 C50 -1.8(15) . . . . ?
C48 C49 C50 C51 -2.3(15) . . . . ?
C49 C50 C51 O9 -176.0(8) . . . . ?
C49 C50 C51 C46 5.0(13) . . . . ?
C51 C46 C47 C48 -0.2(12) . . . . ?
C52 N10 C60 C59 0.4(14) . . . . ?
C52 N10 C60 C61 179.4(8) . . . . ?
C52 C53 C54 C55 2.1(13) . . . . ?
C52 C57 C58 C59 -0.1(15) . . . . ?
C53 C52 C57 C56 0.8(14) . . . . ?
C53 C52 C57 C58 179.9(8) . . . . ?
C53 C54 C55 C56 -1.3(15) . . . . ?
C54 C55 C56 C57 0.2(15) . . . . ?
C55 C56 C57 C52 0.1(14) . . . . ?
C55 C56 C57 C58 -179.0(9) . . . . ?
C56 C57 C58 C59 179.0(10) . . . . ?
C57 C52 C53 O10 -178.9(7) . . . . ?
C57 C52 C53 C54 -1.8(13) . . . . ?
C57 C58 C59 C60 0.6(16) . . . . ?
C58 C59 C60 N10 -0.8(15) . . . . ?
C58 C59 C60 C61 -179.7(10) . . . . ?
C59 C60 C61 N11 172.2(9) . . . . ?
C60 N10 C52 C53 179.9(8) . . . . ?
C60 N10 C52 C57 0.2(13) . . . . ?
C61 N11 N12 C62 177.6(8) . . . . ?
C62 C63 C64 C65 -178.8(9) . . . . ?
C62 C63 C68 O12 -2.1(14) . . . . ?
C62 C63 C68 C67 177.5(8) . . . . ?
C63 C64 C65 C66 1.4(16) . . . . ?
C64 C63 C68 O12 178.1(9) . . . . ?
C64 C63 C68 C67 -2.3(14) . . . . ?
C64 C65 C66 C67 -2.3(16) . . . . ?
C65 C66 C67 C68 1.0(16) . . . . ?
C66 C67 C68 O12 -179.1(9) . . . . ?
C66 C67 C68 C63 1.4(15) . . . . ?
C68 C63 C64 C65 1.0(15) . . . . ?
C69 C70 C71 C72 -175.8(8) . . . . ?
C69 C70 C75 C74 177.2(8) . . . . ?
C70 C71 C72 C73 -1.3(14) . . . . ?
C71 C70 C75 C74 2.2(14) . . . . ?
C71 C72 C73 C74 1.9(15) . . . . ?
C72 C73 C74 C75 -0.4(15) . . . . ?
C73 C74 C75 C70 -1.7(15) . . . . ?
C75 C70 C71 C72 -0.7(13) . . . . ?
C76 C77 C78 C79 -179.0(9) . . . . ?
C76 C77 C82 C81 178.1(8) . . . . ?
C77 C78 C79 C80 -1.7(17) . . . . ?
C78 C77 C82 C81 -3.0(14) . . . . ?
C78 C79 C80 C81 2.3(18) . . . . ?
C79 C80 C81 C82 -3.2(17) . . . . ?
C80 C81 C82 C77 3.5(15) . . . . ?
C82 C77 C78 C79 2.1(14) . . . . ?
C84 C85 C86 C87 -172.5(9) . . . . ?
C84 C85 C90 C89 173.1(10) . . . . ?
C85 C86 C87 C88 1.0(16) . . . . ?
C86 C85 C90 C89 0.0(16) . . . . ?
C86 C87 C88 C89 -2.9(18) . . . . ?
C87 C88 C89 C90 3.2(19) . . . . ?
C88 C89 C90 C85 -1.8(18) . . . . ?
C90 C85 C86 C87 0.4(15) . . . . ?
C91 C92 C93 C94 179.2(9) . . . . ?
C91 C92 C97 C96 -179.9(9) . . . . ?
C92 C93 C94 C95 0.6(18) . . . . ?
C93 C92 C97 C96 1.5(15) . . . . ?
C93 C94 C95 C96 1.8(19) . . . . ?
C94 C95 C96 C97 -2.5(18) . . . . ?
C95 C96 C97 C92 0.9(17) . . . . ?
C97 C92 C93 C94 -2.2(15) . . . . ?
