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#$Date: 2024-08-05 21:30:25 +0300 (Mon, 05 Aug 2024) $
#$Revision: 293805 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/88/7248898.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_7248898
loop_
_publ_author_name
'Gou, Yangyang'
'Gao, Ming'
'Wu, Yunlong'
'Zhou, Wei'
'Feng, Jiancheng'
'Zhang, Sheng'
'Wang, Xiaohong'
'Yin, Bing'
_publ_section_title
;
 Construction of porous 2D Dy3+ metal organic frameworks: solvent
 responsive magnetic dynamics under 0 Oe dc field and luminescent sensors
 for Fe3+ ions
;
_journal_issue                   30
_journal_name_full               CrystEngComm
_journal_page_first              4057
_journal_page_last               4072
_journal_paper_doi               10.1039/D4CE00556B
_journal_volume                  26
_journal_year                    2024
_chemical_formula_sum            'C93 H75 Dy2 N3 O15'
_chemical_formula_weight         1799.56
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-05-28 deposited with the CCDC.	2024-06-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.723(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.2717(5)
_cell_length_b                   16.4895(3)
_cell_length_c                   26.0856(7)
_cell_measurement_reflns_used    182094
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      74.2000
_cell_measurement_theta_min      2.4550
_cell_volume                     8376.6(4)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  multi-scan
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            53852
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.006
_diffrn_reflns_theta_min         3.519
_exptl_absorpt_coefficient_mu    9.975
_exptl_crystal_colour            'clear whiteish colourless'
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_description       block
_exptl_crystal_F_000             3624
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.969
_refine_diff_density_min         -1.743
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1167
_refine_ls_number_reflns         16708
_refine_ls_number_restraints     1118
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0838
_refine_ls_R_factor_gt           0.0603
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0919P)²+9.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1590
_refine_ls_wR_factor_ref         0.1756
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12200
_reflns_number_total             16708
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00556b3.cif
_cod_data_source_block           x
_cod_depositor_comments
'Adding full bibliography for 7248898--7248899.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7248898
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.69700(2) 0.03504(2) 0.75914(2) 0.05339(11) Uani 1 1 d . . . . .
Dy2 Dy 0.71855(2) 0.29509(2) 0.70831(2) 0.05611(11) Uani 1 1 d . . . . .
O1 O 0.7391(3) 0.2796(3) 0.80104(18) 0.0815(14) Uani 1 1 d . . . . .
O2 O 0.7178(3) 0.1503(3) 0.80846(19) 0.0874(16) Uani 1 1 d . . . . .
O3 O 1.1169(2) 0.2614(3) 1.2000(3) 0.0915(17) Uani 1 1 d . . . . .
O4 O 1.1000(2) 0.3932(3) 1.2027(2) 0.0755(13) Uani 1 1 d . . . . .
O5 O 0.6636(2) 0.4109(3) 0.7118(3) 0.0854(15) Uani 1 1 d . . . . .
O6 O 0.6877(2) 0.5421(3) 0.7191(2) 0.0785(14) Uani 1 1 d . . . . .
O7 O 0.2448(3) 0.6506(3) 0.35683(19) 0.0799(14) Uani 1 1 d . . . . .
O8 O 0.2507(3) 0.5171(3) 0.34967(19) 0.0805(14) Uani 1 1 d . . . . .
O9 O 0.7013(3) 0.0385(3) 0.67155(18) 0.0685(11) Uani 1 1 d . . . . .
O10 O 0.7275(2) 0.1691(3) 0.67654(18) 0.0698(12) Uani 1 1 d . . . . .
O11 O 0.3398(2) 0.2281(3) 0.2533(2) 0.0687(12) Uani 1 1 d . . . . .
O12 O 0.3171(2) 0.1019(2) 0.26528(16) 0.0546(9) Uani 1 1 d . . . . .
C1 C 0.7333(3) 0.2199(4) 0.8269(2) 0.0637(16) Uani 1 1 d . . . . .
C2 C 0.7458(4) 0.2317(4) 0.8882(2) 0.0654(16) Uani 1 1 d . . . . .
C3 C 0.7674(7) 0.3047(5) 0.9125(3) 0.128(5) Uani 1 1 d . . . . .
H3A H 0.773292 0.347387 0.891517 0.154 Uiso 1 1 calc R U . . .
C4 C 0.7806(7) 0.3159(5) 0.9681(3) 0.119(4) Uani 1 1 d . . . . .
H4A H 0.797281 0.365896 0.984454 0.142 Uiso 1 1 calc R U . . .
C5 C 0.7702(3) 0.2558(4) 1.0007(3) 0.0613(15) Uani 1 1 d . . . . .
C6 C 0.7476(4) 0.1828(4) 0.9745(3) 0.0726(19) Uani 1 1 d . . . . .
H6A H 0.739889 0.140264 0.994680 0.087 Uiso 1 1 calc R U . . .
C7 C 0.7358(4) 0.1705(4) 0.9186(3) 0.0707(18) Uani 1 1 d . . . . .
H7A H 0.720926 0.120144 0.902067 0.085 Uiso 1 1 calc R U . . .
C8 C 0.7888(3) 0.2677(4) 1.0612(2) 0.0584(14) Uani 1 1 d . . . . .
C9 C 0.7460(3) 0.2642(4) 1.0878(3) 0.0644(15) Uani 1 1 d . . . . .
C10 C 0.6707(4) 0.2550(6) 1.0614(4) 0.088(2) Uani 1 1 d . . . . .
C11 C 0.6329(5) 0.2793(12) 1.0059(6) 0.194(8) Uani 1 1 d . . . . .
H11A H 0.657071 0.296392 0.985114 0.232 Uiso 1 1 calc R U . . .
C12 C 0.5613(11) 0.2795(14) 0.9799(10) 0.211(9) Uani 1 1 d . U . . .
H12A H 0.535371 0.305793 0.946437 0.254 Uiso 1 1 calc R U . . .
C13 C 0.5331(8) 0.2320(12) 1.0132(11) 0.224(12) Uani 1 1 d . . . . .
H13A H 0.489847 0.209289 0.994176 0.269 Uiso 1 1 calc R U . . .
C14 C 0.5639(7) 0.2179(9) 1.0688(9) 0.173(7) Uani 1 1 d . . . . .
H14A H 0.539569 0.204365 1.090328 0.208 Uiso 1 1 calc R U . . .
C15 C 0.6354(5) 0.2256(7) 1.0913(6) 0.130(4) Uani 1 1 d . . . . .
H15A H 0.660129 0.210040 1.128310 0.156 Uiso 1 1 calc R U . . .
C16 C 0.7776(3) 0.2668(4) 1.1506(3) 0.0646(15) Uani 1 1 d . . . . .
C17 C 0.7663(5) 0.3311(5) 1.1796(3) 0.086(2) Uani 1 1 d . . . . .
H17A H 0.737103 0.372948 1.160201 0.103 Uiso 1 1 calc R U . . .
C18 C 0.7980(7) 0.3335(6) 1.2367(4) 0.116(4) Uani 1 1 d . . . . .
H18A H 0.790090 0.377276 1.255801 0.139 Uiso 1 1 calc R U . . .
C19 C 0.8412(6) 0.2731(7) 1.2662(4) 0.110(3) Uani 1 1 d . . . . .
H19A H 0.862521 0.275768 1.305075 0.132 Uiso 1 1 calc R U . . .
C20 C 0.8528(5) 0.2081(6) 1.2382(4) 0.098(3) Uani 1 1 d . . . . .
H20A H 0.882200 0.166619 1.257977 0.118 Uiso 1 1 calc R U . . .
C21 C 0.8209(4) 0.2050(5) 1.1813(3) 0.080(2) Uani 1 1 d . . . . .
H21A H 0.828333 0.160517 1.162525 0.096 Uiso 1 1 calc R U . . .
C22 C 0.8637(3) 0.2842(4) 1.0927(2) 0.0541(13) Uani 1 1 d . . . . .
C23 C 0.8876(3) 0.3562(4) 1.1214(3) 0.0615(15) Uani 1 1 d . . . . .
H23A H 0.856354 0.396205 1.120629 0.074 Uiso 1 1 calc R U . . .
C24 C 0.9568(3) 0.3695(4) 1.1511(3) 0.0633(15) Uani 1 1 d . . . . .
H24A H 0.971747 0.419045 1.168914 0.076 Uiso 1 1 calc R U . . .
C25 C 1.0043(3) 0.3103(4) 1.1547(3) 0.0615(15) Uani 1 1 d . . . . .
C26 C 0.9803(3) 0.2390(4) 1.1276(4) 0.080(2) Uani 1 1 d . . . . .
H26A H 1.011393 0.197622 1.130651 0.096 Uiso 1 1 calc R U . . .
C27 C 0.9111(3) 0.2260(4) 1.0954(4) 0.078(2) Uani 1 1 d . . . . .
H27A H 0.896695 0.177832 1.075628 0.094 Uiso 1 1 calc R U . . .
C28 C 1.0800(3) 0.3231(4) 1.1884(3) 0.0682(17) Uani 1 1 d . . . . .
C29 C 0.6465(3) 0.4843(5) 0.7073(3) 0.0665(17) Uani 1 1 d . . . . .
C30 C 0.5719(3) 0.5045(4) 0.6868(3) 0.0607(15) Uani 1 1 d . . . . .
C31 C 0.5265(3) 0.4483(4) 0.6920(3) 0.0746(19) Uani 1 1 d . . . . .
H31A H 0.542851 0.398203 0.708276 0.089 Uiso 1 1 calc R U . . .
C32 C 0.4575(4) 0.4654(4) 0.6736(3) 0.0747(19) Uani 1 1 d . . . . .
H32A H 0.428125 0.428819 0.679908 0.090 Uiso 1 1 calc R U . . .
C33 C 0.4319(3) 0.5381(4) 0.6454(2) 0.0564(14) Uani 1 1 d . . . . .
C34 C 0.4774(3) 0.5928(4) 0.6399(3) 0.0670(16) Uani 1 1 d . . . . .
H34A H 0.460968 0.641120 0.620870 0.080 Uiso 1 1 calc R U . . .
C35 C 0.5469(3) 0.5774(4) 0.6620(3) 0.0686(17) Uani 1 1 d . . . . .
H35A H 0.576991 0.616944 0.659999 0.082 Uiso 1 1 calc R U . . .
C36 C 0.3557(3) 0.5518(4) 0.6183(2) 0.0557(13) Uani 1 1 d . . . . .
C37 C 0.3151(3) 0.5540(4) 0.6472(2) 0.0589(14) Uani 1 1 d . . . . .
C38 C 0.2389(3) 0.5515(4) 0.6185(3) 0.0647(16) Uani 1 1 d . . . . .
C39 C 0.1993(4) 0.6138(6) 0.6271(3) 0.087(2) Uani 1 1 d . . . . .
H39A H 0.219797 0.654922 0.652806 0.105 Uiso 1 1 calc R U . . .
C40 C 0.1283(4) 0.6125(7) 0.5962(4) 0.106(3) Uani 1 1 d . . . . .
H40A H 0.101962 0.655827 0.599141 0.127 Uiso 1 1 calc R U . . .
C41 C 0.0971(4) 0.5505(8) 0.5623(4) 0.108(3) Uani 1 1 d . . . . .
H41A H 0.049619 0.550259 0.543058 0.130 Uiso 1 1 calc R U . . .
C42 C 0.1358(4) 0.4868(6) 0.5561(4) 0.097(3) Uani 1 1 d . . . . .
H42A H 0.114103 0.442886 0.533584 0.116 Uiso 1 1 calc R U . . .
C43 C 0.2053(4) 0.4882(5) 0.5827(3) 0.082(2) Uani 1 1 d . . . . .
H43A H 0.230886 0.446174 0.576909 0.099 Uiso 1 1 calc R U . . .
C44 C 0.3436(3) 0.5598(4) 0.7094(3) 0.0655(16) Uani 1 1 d . . . . .
C45 C 0.3911(4) 0.6178(6) 0.7377(3) 0.087(2) Uani 1 1 d . . . . .
H45A H 0.406863 0.653393 0.717884 0.104 Uiso 1 1 calc R U . . .
C46 C 0.4166(5) 0.6242(7) 0.7967(4) 0.112(3) Uani 1 1 d . . . . .
H46A H 0.448724 0.663714 0.815605 0.135 Uiso 1 1 calc R U . . .
C47 C 0.3935(5) 0.5721(8) 0.8253(4) 0.113(3) Uani 1 1 d . . . . .
H47A H 0.409565 0.576435 0.864034 0.136 Uiso 1 1 calc R U . . .
C48 C 0.3470(5) 0.5134(7) 0.7981(4) 0.100(3) Uani 1 1 d . . . . .
H48A H 0.332974 0.476713 0.818458 0.120 Uiso 1 1 calc R U . . .
C49 C 0.3203(4) 0.5080(5) 0.7395(3) 0.081(2) Uani 1 1 d . . . . .
H49A H 0.286935 0.469480 0.720989 0.097 Uiso 1 1 calc R U . . .
C50 C 0.3277(3) 0.5589(4) 0.5560(2) 0.0553(13) Uani 1 1 d . . . . .
C51 C 0.2814(3) 0.6190(4) 0.5274(3) 0.0637(16) Uani 1 1 d . . . . .
H51A H 0.265663 0.654906 0.547092 0.076 Uiso 1 1 calc R U . . .
C52 C 0.2580(4) 0.6262(4) 0.4695(3) 0.0660(16) Uani 1 1 d . . . . .
H52A H 0.227696 0.667633 0.451055 0.079 Uiso 1 1 calc R U . . .
C53 C 0.2795(3) 0.5725(4) 0.4393(2) 0.0570(14) Uani 1 1 d . . . . .
C54 C 0.3248(4) 0.5121(4) 0.4676(3) 0.0670(16) Uani 1 1 d . . . . .
H54A H 0.338679 0.474640 0.447678 0.080 Uiso 1 1 calc R U . . .
C55 C 0.3498(4) 0.5064(4) 0.5249(3) 0.0648(16) Uani 1 1 d . . . . .
H55A H 0.382075 0.466723 0.543278 0.078 Uiso 1 1 calc R U . . .
C56 C 0.2569(3) 0.5810(4) 0.3772(3) 0.0630(15) Uani 1 1 d . . . . .
C57 C 0.7099(3) 0.1025(4) 0.6498(3) 0.0601(15) Uani 1 1 d . . . . .
C58 C 0.6977(3) 0.1011(4) 0.5892(2) 0.0590(14) Uani 1 1 d . . . . .
C59 C 0.7079(5) 0.1685(4) 0.5628(3) 0.090(3) Uani 1 1 d . . . . .
H59A H 0.725628 0.215363 0.583391 0.108 Uiso 1 1 calc R U . . .
C60 C 0.6919(5) 0.1678(5) 0.5054(3) 0.093(3) Uani 1 1 d . . . . .
H60A H 0.698243 0.214630 0.488191 0.112 Uiso 1 1 calc R U . . .
C61 C 0.6675(3) 0.1002(4) 0.4743(2) 0.0564(14) Uani 1 1 d . . . . .
C62 C 0.6599(5) 0.0314(4) 0.5009(3) 0.080(2) Uani 1 1 d . . . . .
H62A H 0.644304 -0.016109 0.480465 0.096 Uiso 1 1 calc R U . . .
C63 C 0.6753(4) 0.0317(4) 0.5585(3) 0.078(2) Uani 1 1 d . . . . .
H63A H 0.670358 -0.015541 0.575949 0.093 Uiso 1 1 calc R U . . .
C64 C 0.6472(3) 0.1038(4) 0.4128(2) 0.0565(14) Uani 1 1 d . . . . .
C65 C 0.6921(3) 0.0964(4) 0.3884(3) 0.0626(15) Uani 1 1 d D . . . .
C66 C 0.7674(3) 0.0828(9) 0.4207(6) 0.089(3) Uani 0.557(9) 1 d DG U P A 1
C67 C 0.7902(5) 0.0050(8) 0.4397(7) 0.111(4) Uani 0.557(9) 1 d G U P A 1
H67A H 0.758702 -0.035647 0.436977 0.133 Uiso 0.557(9) 1 calc R U P A 1
C68 C 0.8601(6) -0.0120(7) 0.4628(6) 0.122(4) Uani 0.557(9) 1 d G U P A 1
H68A H 0.875381 -0.064041 0.475546 0.146 Uiso 0.557(9) 1 calc R U P A 1
C69 C 0.9072(3) 0.0487(9) 0.4669(6) 0.120(4) Uani 0.557(9) 1 d G U P A 1
H69A H 0.953975 0.037362 0.482400 0.143 Uiso 0.557(9) 1 calc R U P A 1
C70 C 0.8844(4) 0.1265(8) 0.4479(6) 0.123(4) Uani 0.557(9) 1 d G U P A 1
H70A H 0.915891 0.167160 0.450686 0.148 Uiso 0.557(9) 1 calc R U P A 1
C71 C 0.8145(5) 0.1435(7) 0.4248(6) 0.117(4) Uani 0.557(9) 1 d G U P A 1
H71A H 0.799212 0.195556 0.412116 0.141 Uiso 0.557(9) 1 calc R U P A 1
C66B C 0.7681(4) 0.0884(12) 0.4257(7) 0.098(4) Uani 0.443(9) 1 d DG U P A 2
C67B C 0.8056(6) 0.0183(10) 0.4287(8) 0.107(4) Uani 0.443(9) 1 d G U P A 2
H67B H 0.784009 -0.027217 0.408018 0.128 Uiso 0.443(9) 1 calc R U P A 2
C68B C 0.8754(6) 0.0160(10) 0.4626(8) 0.114(4) Uani 0.443(9) 1 d G U P A 2
H68B H 0.900512 -0.030917 0.464668 0.137 Uiso 0.443(9) 1 calc R U P A 2
C69B C 0.9077(4) 0.0840(11) 0.4935(7) 0.126(4) Uani 0.443(9) 1 d G U P A 2
H69B H 0.954379 0.082524 0.516258 0.151 Uiso 0.443(9) 1 calc R U P A 2
C70B C 0.8701(7) 0.1542(10) 0.4905(8) 0.127(4) Uani 0.443(9) 1 d G U P A 2
H70B H 0.891742 0.199667 0.511199 0.153 Uiso 0.443(9) 1 calc R U P A 2
C71B C 0.8003(6) 0.1564(10) 0.4566(8) 0.118(4) Uani 0.443(9) 1 d G U P A 2
H71B H 0.775238 0.203368 0.454550 0.141 Uiso 0.443(9) 1 calc R U P A 2
C72 C 0.6720(3) 0.0948(4) 0.3269(3) 0.0657(16) Uani 1 1 d . . . . .
C73 C 0.6993(6) 0.1475(7) 0.3011(4) 0.126(4) Uani 1 1 d . . . . .
H73A H 0.731355 0.185189 0.323023 0.152 Uiso 1 1 calc R U . . .
C74 C 0.6817(8) 0.1478(9) 0.2443(6) 0.162(6) Uani 1 1 d . . . . .
H74A H 0.699338 0.187326 0.228321 0.195 Uiso 1 1 calc R U . . .
C75 C 0.6392(6) 0.0908(7) 0.2120(4) 0.117(3) Uani 1 1 d . . . . .
H75A H 0.627224 0.089869 0.173561 0.140 Uiso 1 1 calc R U . . .
C76 C 0.6139(6) 0.0341(6) 0.2368(4) 0.110(3) Uani 1 1 d . . . . .
H76A H 0.585598 -0.006896 0.215197 0.132 Uiso 1 1 calc R U . . .
C77 C 0.6297(5) 0.0369(5) 0.2937(3) 0.094(3) Uani 1 1 d . . . . .
H77A H 0.610921 -0.001638 0.309479 0.112 Uiso 1 1 calc R U . . .
C78 C 0.5719(3) 0.1192(4) 0.3786(2) 0.0537(13) Uani 1 1 d . . . . .
C79 C 0.5213(3) 0.0714(4) 0.3832(3) 0.0634(15) Uani 1 1 d . . . . .
H79A H 0.533818 0.029631 0.409383 0.076 Uiso 1 1 calc R U . . .
C80 C 0.4533(3) 0.0836(4) 0.3505(3) 0.0626(15) Uani 1 1 d . . . . .
H80A H 0.420539 0.049062 0.353742 0.075 Uiso 1 1 calc R U . . .
C81 C 0.4328(3) 0.1471(4) 0.3125(2) 0.0548(13) Uani 1 1 d . . . . .
C82 C 0.4834(3) 0.1991(4) 0.3104(3) 0.0643(16) Uani 1 1 d . . . . .
H82A H 0.470660 0.244232 0.287050 0.077 Uiso 1 1 calc R U . . .
C83 C 0.5515(3) 0.1849(4) 0.3422(3) 0.0655(16) Uani 1 1 d . . . . .
H83A H 0.584496 0.219516 0.339460 0.079 Uiso 1 1 calc R U . . .
C84 C 0.3600(3) 0.1608(4) 0.2756(2) 0.0557(13) Uani 1 1 d . . . . .
O13 O 0.6092(3) 0.0014(5) 0.7884(3) 0.111(2) Uani 1 1 d D U . . .
N1 N 0.5768(10) -0.0464(13) 0.8582(7) 0.137(4) Uani 0.505(10) 1 d D U P B 1
C85 C 0.5955(19) 0.0180(14) 0.8305(11) 0.158(6) Uani 0.505(10) 1 d D U P B 1
H85A H 0.597701 0.071186 0.842965 0.190 Uiso 0.505(10) 1 calc R U P B 1
C86 C 0.5672(16) -0.0417(18) 0.9068(9) 0.175(8) Uani 0.505(10) 1 d D U P B 1
H86A H 0.554909 -0.094210 0.915801 0.263 Uiso 0.505(10) 1 calc R U P B 1
H86B H 0.608966 -0.023929 0.936575 0.263 Uiso 0.505(10) 1 calc R U P B 1
H86C H 0.531158 -0.003815 0.902342 0.263 Uiso 0.505(10) 1 calc R U P B 1
C87 C 0.5644(18) -0.1280(13) 0.8280(12) 0.212(9) Uani 0.505(10) 1 d D U P B 1
H87A H 0.572844 -0.122978 0.794659 0.318 Uiso 0.505(10) 1 calc R U P B 1
H87B H 0.594853 -0.167885 0.852237 0.318 Uiso 0.505(10) 1 calc R U P B 1
H87C H 0.517700 -0.144555 0.818171 0.318 Uiso 0.505(10) 1 calc R U P B 1
N1B N 0.5641(10) 0.0419(14) 0.8517(8) 0.142(5) Uani 0.495(10) 1 d D U P B 2
C85B C 0.5915(18) -0.0189(14) 0.8263(11) 0.150(6) Uani 0.495(10) 1 d D U P B 2
H85B H 0.595816 -0.072460 0.838314 0.180 Uiso 0.495(10) 1 calc R U P B 2
C86B C 0.5741(18) 0.038(2) 0.9082(8) 0.205(9) Uani 0.495(10) 1 d D U P B 2
H86D H 0.552084 0.083594 0.917027 0.307 Uiso 0.495(10) 1 calc R U P B 2
H86E H 0.554614 -0.011313 0.914875 0.307 Uiso 0.495(10) 1 calc R U P B 2
H86F H 0.622361 0.039266 0.931491 0.307 Uiso 0.495(10) 1 calc R U P B 2
C87B C 0.5444(17) 0.1206(14) 0.8220(12) 0.211(10) Uani 0.495(10) 1 d D U P B 2
H87D H 0.539356 0.114247 0.783966 0.316 Uiso 0.495(10) 1 calc R U P B 2
H87E H 0.501596 0.138476 0.822397 0.316 Uiso 0.495(10) 1 calc R U P B 2
H87F H 0.579330 0.160169 0.840422 0.316 Uiso 0.495(10) 1 calc R U P B 2
O14 O 0.6256(5) 0.3069(7) 0.6117(4) 0.172(4) Uani 1 1 d D U . . .
N2 N 0.5383(15) 0.3015(14) 0.5190(11) 0.181(7) Uani 0.557(9) 1 d D U P A 1
C88 C 0.5851(11) 0.2714(15) 0.5710(8) 0.177(6) Uani 0.557(9) 1 d D U P A 1
H88A H 0.584963 0.215299 0.574725 0.212 Uiso 0.557(9) 1 calc R U P A 1
C89 C 0.5165(14) 0.3885(11) 0.5157(12) 0.186(8) Uani 0.557(9) 1 d D U P A 1
H89A H 0.484849 0.400672 0.478139 0.279 Uiso 0.557(9) 1 calc R U P A 1
H89B H 0.494662 0.397533 0.540974 0.279 Uiso 0.557(9) 1 calc R U P A 1
H89C H 0.556078 0.422889 0.525731 0.279 Uiso 0.557(9) 1 calc R U P A 1
C90 C 0.4859(11) 0.2476(14) 0.4805(8) 0.183(8) Uani 0.557(9) 1 d D U P A 1
H90A H 0.458321 0.277017 0.447290 0.275 Uiso 0.557(9) 1 calc R U P A 1
H90B H 0.507664 0.202795 0.470786 0.275 Uiso 0.557(9) 1 calc R U P A 1
H90C H 0.457227 0.227779 0.498335 0.275 Uiso 0.557(9) 1 calc R U P A 1
N2B N 0.5291(17) 0.3154(16) 0.5286(12) 0.173(7) Uani 0.443(9) 1 d D U P A 2
C88B C 0.5814(12) 0.3504(16) 0.5762(9) 0.171(7) Uani 0.443(9) 1 d D U P A 2
H88B H 0.582798 0.406300 0.581100 0.205 Uiso 0.443(9) 1 calc R U P A 2
C90B C 0.4781(13) 0.3709(17) 0.4875(11) 0.185(9) Uani 0.443(9) 1 d D U P A 2
H90D H 0.445717 0.339611 0.457451 0.277 Uiso 0.443(9) 1 calc R U P A 2
H90E H 0.454373 0.400817 0.505821 0.277 Uiso 0.443(9) 1 calc R U P A 2
H90F H 0.501582 0.407904 0.472837 0.277 Uiso 0.443(9) 1 calc R U P A 2
C89B C 0.5280(19) 0.2326(15) 0.5136(15) 0.194(9) Uani 0.443(9) 1 d D U P A 2
H89D H 0.487971 0.222221 0.480026 0.292 Uiso 0.443(9) 1 calc R U P A 2
H89E H 0.568444 0.220297 0.507370 0.292 Uiso 0.443(9) 1 calc R U P A 2
H89F H 0.526774 0.199104 0.543343 0.292 Uiso 0.443(9) 1 calc R U P A 2
O15 O 0.9000(13) 0.258(2) 0.5996(11) 0.237(9) Uani 0.5 1 d D U P . .
N3 N 0.8887(11) 0.1472(14) 0.6427(9) 0.169(7) Uani 0.5 1 d D U P . .
C91 C 0.8952(16) 0.2350(13) 0.6434(12) 0.173(9) Uani 0.5 1 d D U P . .
H91A H 0.895844 0.268844 0.672136 0.207 Uiso 0.5 1 calc R U P . .
C92 C 0.8908(12) 0.1058(16) 0.6910(10) 0.167(8) Uani 0.5 1 d D U P . .
H92A H 0.887441 0.144254 0.717380 0.250 Uiso 0.5 1 calc R U P . .
H92B H 0.853052 0.068404 0.680531 0.250 Uiso 0.5 1 calc R U P . .
H92C H 0.933248 0.076558 0.707689 0.250 Uiso 0.5 1 calc R U P . .
C93 C 0.8928(18) 0.1032(19) 0.5962(11) 0.27(2) Uani 0.5 1 d D U P . .
H93A H 0.890563 0.140734 0.567392 0.412 Uiso 0.5 1 calc R U P . .
H93B H 0.935331 0.073922 0.608744 0.412 Uiso 0.5 1 calc R U P . .
H93C H 0.855135 0.065768 0.581586 0.412 Uiso 0.5 1 calc R U P . .
O16 O 0.5279(15) 0.2682(18) 0.8276(12) 0.259(12) Uani 0.5 1 d D U P . .
N4 N 0.5773(19) 0.3929(17) 0.841(2) 0.294(16) Uani 0.5 1 d D U P . .
C94 C 0.576(2) 0.3113(19) 0.820(2) 0.277(17) Uani 0.5 1 d D U P . .
H94 H 0.604174 0.292395 0.802876 0.332 Uiso 0.5 1 calc R U P . .
C95 C 0.520(2) 0.412(2) 0.855(2) 0.297(18) Uani 0.5 1 d D U P . .
H95A H 0.490558 0.365712 0.848250 0.445 Uiso 0.5 1 calc R U P . .
H95B H 0.535810 0.428391 0.893105 0.445 Uiso 0.5 1 calc R U P . .
H95C H 0.494166 0.456149 0.831098 0.445 Uiso 0.5 1 calc R U P . .
C96 C 0.629(2) 0.449(2) 0.846(2) 0.294(19) Uani 0.5 1 d D U P . .
H96A H 0.662030 0.423291 0.835396 0.441 Uiso 0.5 1 calc R U P . .
H96B H 0.608780 0.494235 0.822414 0.441 Uiso 0.5 1 calc R U P . .
H96C H 0.650423 0.466477 0.884421 0.441 Uiso 0.5 1 calc R U P . .
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
O2 Dy1 O6 82.5(2) . 2_646 ?
O2 Dy1 O4 81.47(18) . 4_565 ?
O6 Dy1 O4 136.30(17) 2_646 4_565 ?
O2 Dy1 O9 117.89(18) . . ?
O6 Dy1 O9 77.29(18) 2_646 . ?
O4 Dy1 O9 74.96(18) 4_565 . ?
O2 Dy1 O12 162.43(16) . 3_656 ?
O6 Dy1 O12 97.16(17) 2_646 3_656 ?
O4 Dy1 O12 109.64(15) 4_565 3_656 ?
O9 Dy1 O12 78.87(15) . 3_656 ?
O2 Dy1 O8 80.10(18) . 4_666 ?
O6 Dy1 O8 74.22(19) 2_646 4_666 ?
O4 Dy1 O8 141.1(2) 4_565 4_666 ?
O9 Dy1 O8 143.76(18) . 4_666 ?
O12 Dy1 O8 82.90(16) 3_656 4_666 ?
O2 Dy1 O13 90.8(3) . . ?
O6 Dy1 O13 147.6(2) 2_646 . ?
O4 Dy1 O13 72.9(2) 4_565 . ?
O9 Dy1 O13 132.5(2) . . ?
O12 Dy1 O13 80.1(2) 3_656 . ?
O8 Dy1 O13 73.4(2) 4_666 . ?
O5 Dy2 O10 155.22(18) . . ?
O5 Dy2 O3 82.13(19) . 4_565 ?
O10 Dy2 O3 78.93(19) . 4_565 ?
O5 Dy2 O1 86.2(2) . . ?
O10 Dy2 O1 105.91(18) . . ?
O3 Dy2 O1 80.0(2) 4_565 . ?
O5 Dy2 O7 92.00(19) . 3_666 ?
O10 Dy2 O7 89.08(17) . 3_666 ?
O3 Dy2 O7 132.3(2) 4_565 3_666 ?
O1 Dy2 O7 147.10(19) . 3_666 ?
O5 Dy2 O11 125.97(17) . 4_666 ?
O10 Dy2 O11 78.50(16) . 4_666 ?
O3 Dy2 O11 140.63(17) 4_565 4_666 ?
O1 Dy2 O11 75.75(19) . 4_666 ?
O7 Dy2 O11 78.94(19) 3_666 4_666 ?
O5 Dy2 O14 76.3(3) . . ?
O10 Dy2 O14 81.5(3) . . ?
O3 Dy2 O14 66.6(3) 4_565 . ?
O1 Dy2 O14 143.9(3) . . ?
O7 Dy2 O14 66.1(3) 3_666 . ?
O11 Dy2 O14 139.7(3) 4_666 . ?
O5 Dy2 O12 74.94(16) . 4_666 ?
O10 Dy2 O12 128.93(15) . 4_666 ?
O3 Dy2 O12 145.35(18) 4_565 4_666 ?
O1 Dy2 O12 72.96(15) . 4_666 ?
O7 Dy2 O12 74.86(16) 3_666 4_666 ?
O11 Dy2 O12 51.17(13) 4_666 4_666 ?
O14 Dy2 O12 129.9(3) . 4_666 ?
O5 Dy2 C84 100.99(19) . 4_666 ?
O10 Dy2 C84 103.36(17) . 4_666 ?
O3 Dy2 C84 150.7(2) 4_565 4_666 ?
O1 Dy2 C84 71.23(18) . 4_666 ?
O7 Dy2 C84 76.92(18) 3_666 4_666 ?
O11 Dy2 C84 24.98(16) 4_666 4_666 ?
O14 Dy2 C84 142.7(3) . 4_666 ?
O12 Dy2 C84 26.25(14) 4_666 4_666 ?
C1 O1 Dy2 130.6(4) . . ?
C1 O2 Dy1 166.4(5) . . ?
C28 O3 Dy2 146.7(5) . 4_666 ?
C28 O4 Dy1 141.1(4) . 4_666 ?
C29 O5 Dy2 161.1(5) . . ?
C29 O6 Dy1 126.9(4) . 2_656 ?
C56 O7 Dy2 126.6(5) . 3_666 ?
C56 O8 Dy1 141.8(5) . 4_565 ?
C57 O9 Dy1 122.6(4) . . ?
C57 O10 Dy2 159.7(4) . . ?
C84 O11 Dy2 100.8(4) . 4_565 ?
C84 O12 Dy1 142.3(4) . 3_656 ?
C84 O12 Dy2 88.2(3) . 4_565 ?
Dy1 O12 Dy2 118.85(15) 3_656 4_565 ?
O1 C1 O2 127.0(6) . . ?
O1 C1 C2 117.4(6) . . ?
O2 C1 C2 115.6(6) . . ?
C7 C2 C3 119.6(6) . . ?
C7 C2 C1 121.2(6) . . ?
C3 C2 C1 119.2(7) . . ?
C2 C3 C4 120.0(7) . . ?
C2 C3 H3A 120.0 . . ?
C4 C3 H3A 120.0 . . ?
C3 C4 C5 122.6(7) . . ?
C3 C4 H4A 118.7 . . ?
C5 C4 H4A 118.7 . . ?
C6 C5 C4 115.7(6) . . ?
C6 C5 C8 122.6(6) . . ?
C4 C5 C8 121.5(6) . . ?
C5 C6 C7 121.9(7) . . ?
C5 C6 H6A 119.0 . . ?
C7 C6 H6A 119.0 . . ?
C2 C7 C6 120.1(6) . . ?
C2 C7 H7A 120.0 . . ?
C6 C7 H7A 120.0 . . ?
C9 C8 C5 126.7(6) . . ?
C9 C8 C22 121.0(5) . . ?
C5 C8 C22 112.4(5) . . ?
C8 C9 C10 126.5(7) . . ?
C8 C9 C16 117.5(6) . . ?
C10 C9 C16 116.0(6) . . ?
C15 C10 C11 118.0(10) . . ?
C15 C10 C9 120.8(9) . . ?
C11 C10 C9 121.2(10) . . ?
C12 C11 C10 124.4(17) . . ?
C12 C11 H11A 117.8 . . ?
C10 C11 H11A 117.8 . . ?
C11 C12 C13 109.6(19) . . ?
C11 C12 H12A 125.2 . . ?
C13 C12 H12A 125.2 . . ?
C14 C13 C12 126.3(16) . . ?
C14 C13 H13A 116.8 . . ?
C12 C13 H13A 116.8 . . ?
C13 C14 C15 114.2(16) . . ?
C13 C14 H14A 122.9 . . ?
C15 C14 H14A 122.9 . . ?
C10 C15 C14 123.1(13) . . ?
C10 C15 H15A 118.5 . . ?
C14 C15 H15A 118.5 . . ?
C17 C16 C21 118.1(7) . . ?
C17 C16 C9 121.3(7) . . ?
C21 C16 C9 120.7(6) . . ?
C18 C17 C16 120.1(9) . . ?
C18 C17 H17A 120.0 . . ?
C16 C17 H17A 120.0 . . ?
C19 C18 C17 121.3(9) . . ?
C19 C18 H18A 119.4 . . ?
C17 C18 H18A 119.4 . . ?
C18 C19 C20 119.6(9) . . ?
C18 C19 H19A 120.2 . . ?
C20 C19 H19A 120.2 . . ?
C21 C20 C19 119.4(9) . . ?
C21 C20 H20A 120.3 . . ?
C19 C20 H20A 120.3 . . ?
C20 C21 C16 121.6(8) . . ?
C20 C21 H21A 119.2 . . ?
C16 C21 H21A 119.2 . . ?
C27 C22 C23 117.9(6) . . ?
C27 C22 C8 119.9(6) . . ?
C23 C22 C8 122.1(5) . . ?
C24 C23 C22 121.1(6) . . ?
C24 C23 H23A 119.4 . . ?
C22 C23 H23A 119.4 . . ?
C23 C24 C25 120.9(6) . . ?
C23 C24 H24A 119.6 . . ?
C25 C24 H24A 119.6 . . ?
C26 C25 C24 117.7(6) . . ?
C26 C25 C28 120.9(6) . . ?
C24 C25 C28 121.5(6) . . ?
C25 C26 C27 122.1(6) . . ?
C25 C26 H26A 119.0 . . ?
C27 C26 H26A 119.0 . . ?
C22 C27 C26 120.2(6) . . ?
C22 C27 H27A 119.9 . . ?
C26 C27 H27A 119.9 . . ?
O4 C28 O3 125.8(6) . . ?
O4 C28 C25 117.6(6) . . ?
O3 C28 C25 116.6(6) . . ?
O6 C29 O5 124.4(6) . . ?
O6 C29 C30 117.2(6) . . ?
O5 C29 C30 118.4(6) . . ?
C35 C30 C31 118.7(6) . . ?
C35 C30 C29 121.4(6) . . ?
C31 C30 C29 119.8(6) . . ?
C32 C31 C30 121.1(6) . . ?
C32 C31 H31A 119.5 . . ?
C30 C31 H31A 119.5 . . ?
C31 C32 C33 119.6(6) . . ?
C31 C32 H32A 120.2 . . ?
C33 C32 H32A 120.2 . . ?
C34 C33 C32 118.5(6) . . ?
C34 C33 C36 121.6(5) . . ?
C32 C33 C36 119.7(6) . . ?
C33 C34 C35 121.3(6) . . ?
C33 C34 H34A 119.4 . . ?
C35 C34 H34A 119.4 . . ?
C30 C35 C34 120.5(6) . . ?
C30 C35 H35A 119.7 . . ?
C34 C35 H35A 119.7 . . ?
C37 C36 C50 122.5(5) . . ?
C37 C36 C33 123.5(5) . . ?
C50 C36 C33 114.0(5) . . ?
C36 C37 C38 122.0(5) . . ?
C36 C37 C44 122.4(6) . . ?
C38 C37 C44 115.7(5) . . ?
C43 C38 C39 118.5(7) . . ?
C43 C38 C37 121.4(6) . . ?
C39 C38 C37 120.1(7) . . ?
C40 C39 C38 118.4(8) . . ?
C40 C39 H39A 120.8 . . ?
C38 C39 H39A 120.8 . . ?
C41 C40 C39 121.7(9) . . ?
C41 C40 H40A 119.1 . . ?
C39 C40 H40A 119.1 . . ?
C40 C41 C42 119.8(8) . . ?
C40 C41 H41A 120.1 . . ?
C42 C41 H41A 120.1 . . ?
C43 C42 C41 120.3(9) . . ?
C43 C42 H42A 119.9 . . ?
C41 C42 H42A 119.9 . . ?
C42 C43 C38 121.1(9) . . ?
C42 C43 H43A 119.5 . . ?
C38 C43 H43A 119.5 . . ?
C45 C44 C49 118.7(7) . . ?
C45 C44 C37 121.3(7) . . ?
C49 C44 C37 119.9(7) . . ?
C44 C45 C46 121.0(9) . . ?
C44 C45 H45A 119.5 . . ?
C46 C45 H45A 119.5 . . ?
C47 C46 C45 119.2(9) . . ?
C47 C46 H46A 120.4 . . ?
C45 C46 H46A 120.4 . . ?
C46 C47 C48 120.8(8) . . ?
C46 C47 H47A 119.6 . . ?
C48 C47 H47A 119.6 . . ?
C47 C48 C49 120.3(9) . . ?
C47 C48 H48A 119.9 . . ?
C49 C48 H48A 119.9 . . ?
C44 C49 C48 120.0(8) . . ?
C44 C49 H49A 120.0 . . ?
C48 C49 H49A 120.0 . . ?
C51 C50 C55 117.7(5) . . ?
C51 C50 C36 121.9(5) . . ?
C55 C50 C36 120.3(5) . . ?
C50 C51 C52 120.8(6) . . ?
C50 C51 H51A 119.6 . . ?
C52 C51 H51A 119.6 . . ?
C53 C52 C51 120.6(6) . . ?
C53 C52 H52A 119.7 . . ?
C51 C52 H52A 119.7 . . ?
C54 C53 C52 118.6(6) . . ?
C54 C53 C56 119.9(6) . . ?
C52 C53 C56 121.5(6) . . ?
C55 C54 C53 121.0(6) . . ?
C55 C54 H54A 119.5 . . ?
C53 C54 H54A 119.5 . . ?
C54 C55 C50 121.2(6) . . ?
C54 C55 H55A 119.4 . . ?
C50 C55 H55A 119.4 . . ?
O7 C56 O8 125.0(6) . . ?
O7 C56 C53 117.8(6) . . ?
O8 C56 C53 117.1(6) . . ?
O9 C57 O10 123.1(6) . . ?
O9 C57 C58 118.2(6) . . ?
O10 C57 C58 118.6(6) . . ?
C63 C58 C59 118.2(6) . . ?
C63 C58 C57 120.2(6) . . ?
C59 C58 C57 121.6(6) . . ?
C58 C59 C60 120.9(7) . . ?
C58 C59 H59A 119.6 . . ?
C60 C59 H59A 119.6 . . ?
C61 C60 C59 121.3(7) . . ?
C61 C60 H60A 119.4 . . ?
C59 C60 H60A 119.4 . . ?
C60 C61 C62 118.2(6) . . ?
C60 C61 C64 119.3(6) . . ?
C62 C61 C64 122.4(6) . . ?
C61 C62 C63 120.8(6) . . ?
C61 C62 H62A 119.6 . . ?
C63 C62 H62A 119.6 . . ?
C58 C63 C62 120.5(6) . . ?
C58 C63 H63A 119.8 . . ?
C62 C63 H63A 119.8 . . ?
C65 C64 C61 123.5(5) . . ?
C65 C64 C78 121.4(5) . . ?
C61 C64 C78 115.1(5) . . ?
C64 C65 C72 124.1(6) . . ?
C64 C65 C66 123.2(8) . . ?
C72 C65 C66 112.5(7) . . ?
C64 C65 C66B 118.6(9) . . ?
C72 C65 C66B 117.3(9) . . ?
C67 C66 C71 120.0 . . ?
C67 C66 C65 118.7(9) . . ?
C71 C66 C65 120.7(9) . . ?
C68 C67 C66 120.0 . . ?
C68 C67 H67A 120.0 . . ?
C66 C67 H67A 120.0 . . ?
C69 C68 C67 120.0 . . ?
C69 C68 H68A 120.0 . . ?
C67 C68 H68A 120.0 . . ?
C68 C69 C70 120.0 . . ?
C68 C69 H69A 120.0 . . ?
C70 C69 H69A 120.0 . . ?
C69 C70 C71 120.0 . . ?
C69 C70 H70A 120.0 . . ?
C71 C70 H70A 120.0 . . ?
C70 C71 C66 120.0 . . ?
C70 C71 H71A 120.0 . . ?
C66 C71 H71A 120.0 . . ?
C67B C66B C71B 120.0 . . ?
C67B C66B C65 123.2(11) . . ?
C71B C66B C65 116.8(11) . . ?
C66B C67B C68B 120.0 . . ?
C66B C67B H67B 120.0 . . ?
C68B C67B H67B 120.0 . . ?
C69B C68B C67B 120.0 . . ?
C69B C68B H68B 120.0 . . ?
C67B C68B H68B 120.0 . . ?
C70B C69B C68B 120.0 . . ?
C70B C69B H69B 120.0 . . ?
C68B C69B H69B 120.0 . . ?
C71B C70B C69B 120.0 . . ?
C71B C70B H70B 120.0 . . ?
C69B C70B H70B 120.0 . . ?
C70B C71B C66B 120.0 . . ?
C70B C71B H71B 120.0 . . ?
C66B C71B H71B 120.0 . . ?
C77 C72 C73 115.9(8) . . ?
C77 C72 C65 122.1(7) . . ?
C73 C72 C65 121.8(7) . . ?
C72 C73 C74 123.3(10) . . ?
C72 C73 H73A 118.3 . . ?
C74 C73 H73A 118.3 . . ?
C75 C74 C73 119.8(11) . . ?
C75 C74 H74A 120.1 . . ?
C73 C74 H74A 120.1 . . ?
C74 C75 C76 118.5(9) . . ?
C74 C75 H75A 120.8 . . ?
C76 C75 H75A 120.8 . . ?
C75 C76 C77 120.9(9) . . ?
C75 C76 H76A 119.5 . . ?
C77 C76 H76A 119.5 . . ?
C72 C77 C76 121.3(8) . . ?
C72 C77 H77A 119.3 . . ?
C76 C77 H77A 119.3 . . ?
C79 C78 C83 117.8(5) . . ?
C79 C78 C64 122.2(5) . . ?
C83 C78 C64 120.0(5) . . ?
C80 C79 C78 121.9(6) . . ?
C80 C79 H79A 119.0 . . ?
C78 C79 H79A 119.0 . . ?
C79 C80 C81 120.5(6) . . ?
C79 C80 H80A 119.7 . . ?
C81 C80 H80A 119.7 . . ?
C80 C81 C82 117.8(5) . . ?
C80 C81 C84 121.9(5) . . ?
C82 C81 C84 120.3(6) . . ?
C83 C82 C81 121.0(6) . . ?
C83 C82 H82A 119.5 . . ?
C81 C82 H82A 119.5 . . ?
C82 C83 C78 120.7(6) . . ?
C82 C83 H83A 119.6 . . ?
C78 C83 H83A 119.6 . . ?
O11 C84 O12 119.5(5) . . ?
O11 C84 C81 121.0(6) . . ?
O12 C84 C81 119.5(5) . . ?
O11 C84 Dy2 54.2(3) . 4_565 ?
O12 C84 Dy2 65.6(3) . 4_565 ?
C81 C84 Dy2 173.8(4) . 4_565 ?
C85B O13 Dy1 149.3(18) . . ?
C85 O13 Dy1 135.7(15) . . ?
C86 N1 C85 127.2(12) . . ?
C86 N1 C87 117.9(11) . . ?
C85 N1 C87 114.9(10) . . ?
O13 C85 N1 118.8(16) . . ?
O13 C85 H85A 120.6 . . ?
N1 C85 H85A 120.6 . . ?
N1 C86 H86A 109.5 . . ?
N1 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
N1 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
N1 C87 H87A 109.5 . . ?
N1 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
N1 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C86B N1B C85B 122.1(12) . . ?
C86B N1B C87B 118.6(12) . . ?
C85B N1B C87B 116.7(10) . . ?
O13 C85B N1B 119.2(17) . . ?
O13 C85B H85B 120.4 . . ?
N1B C85B H85B 120.4 . . ?
N1B C86B H86D 109.5 . . ?
N1B C86B H86E 109.5 . . ?
H86D C86B H86E 109.5 . . ?
N1B C86B H86F 109.5 . . ?
H86D C86B H86F 109.5 . . ?
H86E C86B H86F 109.5 . . ?
N1B C87B H87D 109.5 . . ?
N1B C87B H87E 109.5 . . ?
H87D C87B H87E 109.5 . . ?
N1B C87B H87F 109.5 . . ?
H87D C87B H87F 109.5 . . ?
H87E C87B H87F 109.5 . . ?
C88B O14 Dy2 147.7(14) . . ?
C88 O14 Dy2 146.7(13) . . ?
C88 N2 C90 119.6(15) . . ?
C88 N2 C89 118.3(14) . . ?
C90 N2 C89 114.1(13) . . ?
O14 C88 N2 130.4(18) . . ?
O14 C88 H88A 114.8 . . ?
N2 C88 H88A 114.8 . . ?
N2 C89 H89A 109.5 . . ?
N2 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
N2 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
N2 C90 H90A 109.5 . . ?
N2 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
N2 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C88B N2B C89B 123.7(13) . . ?
C88B N2B C90B 117.9(12) . . ?
C89B N2B C90B 117.7(12) . . ?
O14 C88B N2B 120.7(19) . . ?
O14 C88B H88B 119.7 . . ?
N2B C88B H88B 119.7 . . ?
N2B C90B H90D 109.5 . . ?
N2B C90B H90E 109.5 . . ?
H90D C90B H90E 109.5 . . ?
N2B C90B H90F 109.5 . . ?
H90D C90B H90F 109.5 . . ?
H90E C90B H90F 109.5 . . ?
N2B C89B H89D 109.5 . . ?
N2B C89B H89E 109.5 . . ?
H89D C89B H89E 109.5 . . ?
N2B C89B H89F 109.5 . . ?
H89D C89B H89F 109.5 . . ?
H89E C89B H89F 109.5 . . ?
C92 N3 C93 120.8(12) . . ?
C92 N3 C91 120.1(12) . . ?
C93 N3 C91 118.1(11) . . ?
O15 C91 N3 109(2) . . ?
O15 C91 H91A 125.3 . . ?
N3 C91 H91A 125.3 . . ?
N3 C92 H92A 109.5 . . ?
N3 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
N3 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
N3 C93 H93A 109.5 . . ?
N3 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
N3 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C96 N4 C95 122.9(15) . . ?
C96 N4 C94 122.6(15) . . ?
C95 N4 C94 114.5(13) . . ?
O16 C94 N4 109.4(19) . . ?
O16 C94 H94 125.3 . . ?
N4 C94 H94 125.3 . . ?
N4 C95 H95A 109.5 . . ?
N4 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
N4 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
N4 C96 H96A 109.5 . . ?
N4 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
N4 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 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
Dy1 O2 2.237(5) . ?
Dy1 O6 2.287(5) 2_646 ?
Dy1 O4 2.321(4) 4_565 ?
Dy1 O9 2.324(4) . ?
Dy1 O12 2.332(4) 3_656 ?
Dy1 O8 2.335(4) 4_666 ?
Dy1 O13 2.351(6) . ?
Dy2 O5 2.259(5) . ?
Dy2 O10 2.274(4) . ?
Dy2 O3 2.282(5) 4_565 ?
Dy2 O1 2.293(4) . ?
Dy2 O7 2.315(5) 3_666 ?
Dy2 O11 2.396(4) 4_666 ?
Dy2 O14 2.507(9) . ?
Dy2 O12 2.643(4) 4_666 ?
Dy2 C84 2.901(6) 4_666 ?
O1 C1 1.226(8) . ?
O2 C1 1.237(8) . ?
O3 C28 1.247(8) . ?
O4 C28 1.236(8) . ?
O5 C29 1.256(8) . ?
O6 C29 1.247(8) . ?
O7 C56 1.247(8) . ?
O8 C56 1.251(8) . ?
O9 C57 1.245(8) . ?
O10 C57 1.273(7) . ?
O11 C84 1.248(7) . ?
O12 C84 1.284(7) . ?
C1 C2 1.525(8) . ?
C2 C7 1.352(9) . ?
C2 C3 1.352(10) . ?
C3 C4 1.376(11) . ?
C3 H3A 0.9300 . ?
C4 C5 1.380(10) . ?
C4 H4A 0.9300 . ?
C5 C6 1.373(9) . ?
C5 C8 1.478(8) . ?
C6 C7 1.392(9) . ?
C6 H6A 0.9300 . ?
C7 H7A 0.9300 . ?
C8 C9 1.350(9) . ?
C8 C22 1.494(8) . ?
C9 C10 1.474(9) . ?
C9 C16 1.501(9) . ?
C10 C15 1.371(14) . ?
C10 C11 1.402(16) . ?
C11 C12 1.40(2) . ?
C11 H11A 0.9300 . ?
C12 C13 1.47(3) . ?
C12 H12A 0.9300 . ?
C13 C14 1.35(3) . ?
C13 H13A 0.9300 . ?
C14 C15 1.399(15) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 C17 1.378(10) . ?
C16 C21 1.390(10) . ?
C17 C18 1.367(12) . ?
C17 H17A 0.9300 . ?
C18 C19 1.364(14) . ?
C18 H18A 0.9300 . ?
C19 C20 1.374(13) . ?
C19 H19A 0.9300 . ?
C20 C21 1.363(11) . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
C22 C27 1.373(9) . ?
C22 C23 1.386(8) . ?
C23 C24 1.379(8) . ?
C23 H23A 0.9300 . ?
C24 C25 1.380(9) . ?
C24 H24A 0.9300 . ?
C25 C26 1.362(9) . ?
C25 C28 1.507(9) . ?
C26 C27 1.388(9) . ?
C26 H26A 0.9300 . ?
C27 H27A 0.9300 . ?
C29 C30 1.494(9) . ?
C30 C35 1.368(9) . ?
C30 C31 1.385(10) . ?
C31 C32 1.377(9) . ?
C31 H31A 0.9300 . ?
C32 C33 1.396(9) . ?
C32 H32A 0.9300 . ?
C33 C34 1.371(9) . ?
C33 C36 1.502(8) . ?
C34 C35 1.376(9) . ?
C34 H34A 0.9300 . ?
C35 H35A 0.9300 . ?
C36 C37 1.355(9) . ?
C36 C50 1.494(8) . ?
C37 C38 1.487(9) . ?
C37 C44 1.490(8) . ?
C38 C43 1.391(10) . ?
C38 C39 1.403(10) . ?
C39 C40 1.398(11) . ?
C39 H39A 0.9300 . ?
C40 C41 1.339(14) . ?
C40 H40A 0.9300 . ?
C41 C42 1.383(14) . ?
C41 H41A 0.9300 . ?
C42 C43 1.358(11) . ?
C42 H42A 0.9300 . ?
C43 H43A 0.9300 . ?
C44 C45 1.371(10) . ?
C44 C49 1.381(10) . ?
C45 C46 1.415(11) . ?
C45 H45A 0.9300 . ?
C46 C47 1.352(14) . ?
C46 H46A 0.9300 . ?
C47 C48 1.361(14) . ?
C47 H47A 0.9300 . ?
C48 C49 1.403(11) . ?
C48 H48A 0.9300 . ?
C49 H49A 0.9300 . ?
C50 C51 1.384(8) . ?
C50 C55 1.391(9) . ?
C51 C52 1.392(8) . ?
C51 H51A 0.9300 . ?
C52 C53 1.379(9) . ?
C52 H52A 0.9300 . ?
C53 C54 1.376(9) . ?
C53 C56 1.501(8) . ?
C54 C55 1.373(9) . ?
C54 H54A 0.9300 . ?
C55 H55A 0.9300 . ?
C57 C58 1.496(9) . ?
C58 C63 1.367(9) . ?
C58 C59 1.369(9) . ?
C59 C60 1.396(10) . ?
C59 H59A 0.9300 . ?
C60 C61 1.352(9) . ?
C60 H60A 0.9300 . ?
C61 C62 1.374(9) . ?
C61 C64 1.484(8) . ?
C62 C63 1.403(10) . ?
C62 H62A 0.9300 . ?
C63 H63A 0.9300 . ?
C64 C65 1.350(9) . ?
C64 C78 1.509(8) . ?
C65 C72 1.485(9) . ?
C65 C66 1.497(8) . ?
C65 C66B 1.520(9) . ?
C66 C67 1.3900 . ?
C66 C71 1.3900 . ?
C67 C68 1.3900 . ?
C67 H67A 0.9300 . ?
C68 C69 1.3900 . ?
C68 H68A 0.9300 . ?
C69 C70 1.3900 . ?
C69 H69A 0.9300 . ?
C70 C71 1.3900 . ?
C70 H70A 0.9300 . ?
C71 H71A 0.9300 . ?
C66B C67B 1.3900 . ?
C66B C71B 1.3900 . ?
C67B C68B 1.3900 . ?
C67B H67B 0.9300 . ?
C68B C69B 1.3900 . ?
C68B H68B 0.9300 . ?
C69B C70B 1.3900 . ?
C69B H69B 0.9300 . ?
C70B C71B 1.3900 . ?
C70B H70B 0.9300 . ?
C71B H71B 0.9300 . ?
C72 C77 1.358(10) . ?
C72 C73 1.364(11) . ?
C73 C74 1.375(15) . ?
C73 H73A 0.9300 . ?
C74 C75 1.341(16) . ?
C74 H74A 0.9300 . ?
C75 C76 1.364(14) . ?
C75 H75A 0.9300 . ?
C76 C77 1.384(11) . ?
C76 H76A 0.9300 . ?
C77 H77A 0.9300 . ?
C78 C79 1.376(8) . ?
C78 C83 1.390(8) . ?
C79 C80 1.368(8) . ?
C79 H79A 0.9300 . ?
C80 C81 1.386(9) . ?
C80 H80A 0.9300 . ?
C81 C82 1.394(8) . ?
C81 C84 1.474(8) . ?
C82 C83 1.370(9) . ?
C82 H82A 0.9300 . ?
C83 H83A 0.9300 . ?
O13 C85B 1.237(16) . ?
O13 C85 1.274(16) . ?
N1 C86 1.367(14) . ?
N1 C85 1.428(15) . ?
N1 C87 1.528(16) . ?
C85 H85A 0.9300 . ?
C86 H86A 0.9600 . ?
C86 H86B 0.9600 . ?
C86 H86C 0.9600 . ?
C87 H87A 0.9600 . ?
C87 H87B 0.9600 . ?
C87 H87C 0.9600 . ?
N1B C86B 1.406(15) . ?
N1B C85B 1.447(15) . ?
N1B C87B 1.484(16) . ?
C85B H85B 0.9300 . ?
C86B H86D 0.9600 . ?
C86B H86E 0.9600 . ?
C86B H86F 0.9600 . ?
C87B H87D 0.9600 . ?
C87B H87E 0.9600 . ?
C87B H87F 0.9600 . ?
O14 C88B 1.247(17) . ?
O14 C88 1.216(15) . ?
N2 C88 1.412(17) . ?
N2 C90 1.462(17) . ?
N2 C89 1.499(17) . ?
C88 H88A 0.9300 . ?
C89 H89A 0.9600 . ?
C89 H89B 0.9600 . ?
C89 H89C 0.9600 . ?
C90 H90A 0.9600 . ?
C90 H90B 0.9600 . ?
C90 H90C 0.9600 . ?
N2B C88B 1.414(16) . ?
N2B C89B 1.418(17) . ?
N2B C90B 1.492(17) . ?
C88B H88B 0.9300 . ?
C90B H90D 0.9600 . ?
C90B H90E 0.9600 . ?
C90B H90F 0.9600 . ?
C89B H89D 0.9600 . ?
C89B H89E 0.9600 . ?
C89B H89F 0.9600 . ?
O15 C91 1.245(18) . ?
N3 C92 1.416(16) . ?
N3 C93 1.447(16) . ?
N3 C91 1.454(16) . ?
C91 H91A 0.9300 . ?
C92 H92A 0.9600 . ?
C92 H92B 0.9600 . ?
C92 H92C 0.9600 . ?
C93 H93A 0.9600 . ?
C93 H93B 0.9600 . ?
C93 H93C 0.9600 . ?
O16 C94 1.326(19) . ?
N4 C96 1.392(19) . ?
N4 C95 1.436(19) . ?
N4 C94 1.454(19) . ?
C94 H94 0.9300 . ?
C95 H95A 0.9600 . ?
C95 H95B 0.9600 . ?
C95 H95C 0.9600 . ?
C96 H96A 0.9600 . ?
C96 H96B 0.9600 . ?
C96 H96C 0.9600 . ?
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 O1 C1 O2 4.5(12) . . . . ?
Dy2 O1 C1 C2 -175.2(4) . . . . ?
Dy1 O2 C1 O1 18(3) . . . . ?
Dy1 O2 C1 C2 -162.3(18) . . . . ?
O1 C1 C2 C7 175.3(7) . . . . ?
O2 C1 C2 C7 -4.4(10) . . . . ?
O1 C1 C2 C3 -4.6(12) . . . . ?
O2 C1 C2 C3 175.6(9) . . . . ?
C7 C2 C3 C4 1.6(17) . . . . ?
C1 C2 C3 C4 -178.4(11) . . . . ?
C2 C3 C4 C5 -3(2) . . . . ?
C3 C4 C5 C6 1.9(17) . . . . ?
C3 C4 C5 C8 176.2(11) . . . . ?
C4 C5 C6 C7 -0.2(12) . . . . ?
C8 C5 C6 C7 -174.5(7) . . . . ?
C3 C2 C7 C6 0.0(13) . . . . ?
C1 C2 C7 C6 -180.0(7) . . . . ?
C5 C6 C7 C2 -0.7(12) . . . . ?
C6 C5 C8 C9 -65.8(10) . . . . ?
C4 C5 C8 C9 120.2(10) . . . . ?
C6 C5 C8 C22 113.6(7) . . . . ?
C4 C5 C8 C22 -60.4(10) . . . . ?
C5 C8 C9 C10 -5.8(12) . . . . ?
C22 C8 C9 C10 174.8(7) . . . . ?
C5 C8 C9 C16 171.7(6) . . . . ?
C22 C8 C9 C16 -7.7(10) . . . . ?
C8 C9 C10 C15 158.1(9) . . . . ?
C16 C9 C10 C15 -19.4(12) . . . . ?
C8 C9 C10 C11 -24.9(15) . . . . ?
C16 C9 C10 C11 157.6(10) . . . . ?
C15 C10 C11 C12 3(2) . . . . ?
C9 C10 C11 C12 -173.7(16) . . . . ?
C10 C11 C12 C13 -14(3) . . . . ?
C11 C12 C13 C14 26(3) . . . . ?
C12 C13 C14 C15 -23(3) . . . . ?
C11 C10 C15 C14 0.9(19) . . . . ?
C9 C10 C15 C14 178.0(11) . . . . ?
C13 C14 C15 C10 8(2) . . . . ?
C8 C9 C16 C17 114.2(8) . . . . ?
C10 C9 C16 C17 -68.1(10) . . . . ?
C8 C9 C16 C21 -63.8(9) . . . . ?
C10 C9 C16 C21 113.9(8) . . . . ?
C21 C16 C17 C18 0.9(13) . . . . ?
C9 C16 C17 C18 -177.2(8) . . . . ?
C16 C17 C18 C19 0.0(16) . . . . ?
C17 C18 C19 C20 -0.3(18) . . . . ?
C18 C19 C20 C21 -0.2(17) . . . . ?
C19 C20 C21 C16 1.0(15) . . . . ?
C17 C16 C21 C20 -1.4(12) . . . . ?
C9 C16 C21 C20 176.7(8) . . . . ?
C9 C8 C22 C27 115.6(8) . . . . ?
C5 C8 C22 C27 -63.9(8) . . . . ?
C9 C8 C22 C23 -62.3(9) . . . . ?
C5 C8 C22 C23 118.2(7) . . . . ?
C27 C22 C23 C24 0.9(10) . . . . ?
C8 C22 C23 C24 178.8(6) . . . . ?
C22 C23 C24 C25 -2.3(11) . . . . ?
C23 C24 C25 C26 0.6(11) . . . . ?
C23 C24 C25 C28 -178.2(7) . . . . ?
C24 C25 C26 C27 2.4(13) . . . . ?
C28 C25 C26 C27 -178.8(8) . . . . ?
C23 C22 C27 C26 2.1(12) . . . . ?
C8 C22 C27 C26 -175.9(7) . . . . ?
C25 C26 C27 C22 -3.8(14) . . . . ?
Dy1 O4 C28 O3 -7.9(14) 4_666 . . . ?
Dy1 O4 C28 C25 171.1(5) 4_666 . . . ?
Dy2 O3 C28 O4 -41.5(15) 4_666 . . . ?
Dy2 O3 C28 C25 139.5(7) 4_666 . . . ?
C26 C25 C28 O4 166.0(8) . . . . ?
C24 C25 C28 O4 -15.2(11) . . . . ?
C26 C25 C28 O3 -14.9(11) . . . . ?
C24 C25 C28 O3 163.9(7) . . . . ?
Dy1 O6 C29 O5 8.6(10) 2_656 . . . ?
Dy1 O6 C29 C30 -171.7(4) 2_656 . . . ?
Dy2 O5 C29 O6 -41.0(19) . . . . ?
Dy2 O5 C29 C30 139.3(13) . . . . ?
O6 C29 C30 C35 24.2(10) . . . . ?
O5 C29 C30 C35 -156.2(7) . . . . ?
O6 C29 C30 C31 -156.8(7) . . . . ?
O5 C29 C30 C31 22.9(10) . . . . ?
C35 C30 C31 C32 -1.1(12) . . . . ?
C29 C30 C31 C32 179.8(7) . . . . ?
C30 C31 C32 C33 4.8(12) . . . . ?
C31 C32 C33 C34 -3.9(11) . . . . ?
C31 C32 C33 C36 171.5(7) . . . . ?
C32 C33 C34 C35 -0.7(11) . . . . ?
C36 C33 C34 C35 -176.0(6) . . . . ?
C31 C30 C35 C34 -3.5(11) . . . . ?
C29 C30 C35 C34 175.5(6) . . . . ?
C33 C34 C35 C30 4.5(11) . . . . ?
C34 C33 C36 C37 -122.8(7) . . . . ?
C32 C33 C36 C37 61.9(9) . . . . ?
C34 C33 C36 C50 59.9(8) . . . . ?
C32 C33 C36 C50 -115.4(7) . . . . ?
C50 C36 C37 C38 9.3(10) . . . . ?
C33 C36 C37 C38 -167.7(6) . . . . ?
C50 C36 C37 C44 -170.3(6) . . . . ?
C33 C36 C37 C44 12.7(10) . . . . ?
C36 C37 C38 C43 56.6(10) . . . . ?
C44 C37 C38 C43 -123.8(7) . . . . ?
C36 C37 C38 C39 -123.2(8) . . . . ?
C44 C37 C38 C39 56.5(9) . . . . ?
C43 C38 C39 C40 -4.7(12) . . . . ?
C37 C38 C39 C40 175.1(8) . . . . ?
C38 C39 C40 C41 5.4(15) . . . . ?
C39 C40 C41 C42 -2.0(16) . . . . ?
C40 C41 C42 C43 -2.1(16) . . . . ?
C41 C42 C43 C38 2.8(14) . . . . ?
C39 C38 C43 C42 0.7(12) . . . . ?
C37 C38 C43 C42 -179.1(7) . . . . ?
C36 C37 C44 C45 50.7(10) . . . . ?
C38 C37 C44 C45 -128.9(7) . . . . ?
C36 C37 C44 C49 -131.7(7) . . . . ?
C38 C37 C44 C49 48.7(9) . . . . ?
C49 C44 C45 C46 0.7(13) . . . . ?
C37 C44 C45 C46 178.3(8) . . . . ?
C44 C45 C46 C47 0.1(16) . . . . ?
C45 C46 C47 C48 0.8(17) . . . . ?
C46 C47 C48 C49 -2.4(17) . . . . ?
C45 C44 C49 C48 -2.2(12) . . . . ?
C37 C44 C49 C48 -179.9(7) . . . . ?
C47 C48 C49 C44 3.2(14) . . . . ?
C37 C36 C50 C51 48.0(9) . . . . ?
C33 C36 C50 C51 -134.7(6) . . . . ?
C37 C36 C50 C55 -134.4(7) . . . . ?
C33 C36 C50 C55 42.9(8) . . . . ?
C55 C50 C51 C52 -0.1(10) . . . . ?
C36 C50 C51 C52 177.6(6) . . . . ?
C50 C51 C52 C53 1.4(11) . . . . ?
C51 C52 C53 C54 -0.5(10) . . . . ?
C51 C52 C53 C56 -177.8(6) . . . . ?
C52 C53 C54 C55 -1.7(11) . . . . ?
C56 C53 C54 C55 175.6(6) . . . . ?
C53 C54 C55 C50 3.1(11) . . . . ?
C51 C50 C55 C54 -2.1(10) . . . . ?
C36 C50 C55 C54 -179.8(6) . . . . ?
Dy2 O7 C56 O8 -46.9(10) 3_666 . . . ?
Dy2 O7 C56 C53 134.1(5) 3_666 . . . ?
Dy1 O8 C56 O7 -19.9(13) 4_565 . . . ?
Dy1 O8 C56 C53 159.1(5) 4_565 . . . ?
C54 C53 C56 O7 -146.8(7) . . . . ?
C52 C53 C56 O7 30.5(10) . . . . ?
C54 C53 C56 O8 34.2(9) . . . . ?
C52 C53 C56 O8 -148.6(7) . . . . ?
Dy1 O9 C57 O10 11.2(9) . . . . ?
Dy1 O9 C57 C58 -167.7(4) . . . . ?
Dy2 O10 C57 O9 -99.3(13) . . . . ?
Dy2 O10 C57 C58 79.6(14) . . . . ?
O9 C57 C58 C63 2.3(10) . . . . ?
O10 C57 C58 C63 -176.7(7) . . . . ?
O9 C57 C58 C59 -178.2(7) . . . . ?
O10 C57 C58 C59 2.9(10) . . . . ?
C63 C58 C59 C60 3.8(13) . . . . ?
C57 C58 C59 C60 -175.8(8) . . . . ?
C58 C59 C60 C61 -1.6(16) . . . . ?
C59 C60 C61 C62 -1.2(14) . . . . ?
C59 C60 C61 C64 176.1(8) . . . . ?
C60 C61 C62 C63 1.6(12) . . . . ?
C64 C61 C62 C63 -175.6(7) . . . . ?
C59 C58 C63 C62 -3.4(12) . . . . ?
C57 C58 C63 C62 176.2(7) . . . . ?
C61 C62 C63 C58 0.7(13) . . . . ?
C60 C61 C64 C65 83.2(9) . . . . ?
C62 C61 C64 C65 -99.6(9) . . . . ?
C60 C61 C64 C78 -95.0(8) . . . . ?
C62 C61 C64 C78 82.2(8) . . . . ?
C61 C64 C65 C72 176.1(6) . . . . ?
C78 C64 C65 C72 -5.9(10) . . . . ?
C61 C64 C65 C66 0.7(12) . . . . ?
C78 C64 C65 C66 178.8(8) . . . . ?
C61 C64 C65 C66B -3.4(12) . . . . ?
C78 C64 C65 C66B 174.7(10) . . . . ?
C64 C65 C66 C67 79.3(11) . . . . ?
C72 C65 C66 C67 -96.5(9) . . . . ?
C64 C65 C66 C71 -109.8(10) . . . . ?
C72 C65 C66 C71 74.4(11) . . . . ?
C71 C66 C67 C68 0.0 . . . . ?
C65 C66 C67 C68 171.0(12) . . . . ?
C66 C67 C68 C69 0.0 . . . . ?
C67 C68 C69 C70 0.0 . . . . ?
C68 C69 C70 C71 0.0 . . . . ?
C69 C70 C71 C66 0.0 . . . . ?
C67 C66 C71 C70 0.0 . . . . ?
C65 C66 C71 C70 -170.8(12) . . . . ?
C64 C65 C66B C67B 112.9(12) . . . . ?
C72 C65 C66B C67B -66.6(14) . . . . ?
C64 C65 C66B C71B -68.7(14) . . . . ?
C72 C65 C66B C71B 111.8(11) . . . . ?
C71B C66B C67B C68B 0.0 . . . . ?
C65 C66B C67B C68B 178.4(17) . . . . ?
C66B C67B C68B C69B 0.0 . . . . ?
C67B C68B C69B C70B 0.0 . . . . ?
C68B C69B C70B C71B 0.0 . . . . ?
C69B C70B C71B C66B 0.0 . . . . ?
C67B C66B C71B C70B 0.0 . . . . ?
C65 C66B C71B C70B -178.5(16) . . . . ?
C64 C65 C72 C77 -60.4(11) . . . . ?
C66 C65 C72 C77 115.4(10) . . . . ?
C66B C65 C72 C77 119.1(11) . . . . ?
C64 C65 C72 C73 124.8(10) . . . . ?
C66 C65 C72 C73 -59.4(12) . . . . ?
C66B C65 C72 C73 -55.7(13) . . . . ?
C77 C72 C73 C74 5.1(19) . . . . ?
C65 C72 C73 C74 -179.8(12) . . . . ?
C72 C73 C74 C75 -4(2) . . . . ?
C73 C74 C75 C76 1(2) . . . . ?
C74 C75 C76 C77 2(2) . . . . ?
C73 C72 C77 C76 -2.1(15) . . . . ?
C65 C72 C77 C76 -177.1(9) . . . . ?
C75 C76 C77 C72 -1.5(17) . . . . ?
C65 C64 C78 C79 127.3(7) . . . . ?
C61 C64 C78 C79 -54.5(8) . . . . ?
C65 C64 C78 C83 -54.8(9) . . . . ?
C61 C64 C78 C83 123.4(7) . . . . ?
C83 C78 C79 C80 4.7(10) . . . . ?
C64 C78 C79 C80 -177.3(6) . . . . ?
C78 C79 C80 C81 -2.3(11) . . . . ?
C79 C80 C81 C82 -2.2(10) . . . . ?
C79 C80 C81 C84 178.5(6) . . . . ?
C80 C81 C82 C83 4.2(10) . . . . ?
C84 C81 C82 C83 -176.5(6) . . . . ?
C81 C82 C83 C78 -1.7(11) . . . . ?
C79 C78 C83 C82 -2.7(10) . . . . ?
C64 C78 C83 C82 179.3(6) . . . . ?
Dy2 O11 C84 O12 6.2(6) 4_565 . . . ?
Dy2 O11 C84 C81 -175.3(5) 4_565 . . . ?
Dy1 O12 C84 O11 133.0(5) 3_656 . . . ?
Dy2 O12 C84 O11 -5.5(6) 4_565 . . . ?
Dy1 O12 C84 C81 -45.5(9) 3_656 . . . ?
Dy2 O12 C84 C81 176.0(5) 4_565 . . . ?
Dy1 O12 C84 Dy2 138.5(6) 3_656 . . 4_565 ?
C80 C81 C84 O11 160.1(6) . . . . ?
C82 C81 C84 O11 -19.2(9) . . . . ?
C80 C81 C84 O12 -21.4(9) . . . . ?
C82 C81 C84 O12 159.2(6) . . . . ?
Dy1 O13 C85 N1 -133(2) . . . . ?
C86 N1 C85 O13 173(3) . . . . ?
C87 N1 C85 O13 -9(4) . . . . ?
Dy1 O13 C85B N1B 101(3) . . . . ?
C86B N1B C85B O13 -148(3) . . . . ?
C87B N1B C85B O13 13(4) . . . . ?
Dy2 O14 C88 N2 -177(2) . . . . ?
C90 N2 C88 O14 -168(3) . . . . ?
C89 N2 C88 O14 -21(5) . . . . ?
Dy2 O14 C88B N2B -165(3) . . . . ?
C89B N2B C88B O14 -9(6) . . . . ?
C90B N2B C88B O14 -179(3) . . . . ?
C92 N3 C91 O15 172(3) . . . . ?
C93 N3 C91 O15 4(4) . . . . ?
C96 N4 C94 O16 171(5) . . . . ?
C95 N4 C94 O16 -12(7) . . . . ?
