#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:34:43 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180045 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/39/7033928.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_7033928
loop_
_publ_author_name
'Wang, Chao'
'Lin, Shuang-Yan'
'Shi, Wei'
'Cheng, Peng'
'Tang, Jinkui'
_publ_section_title
;
 Exploiting verdazyl radicals to assemble 2p-3d-4f one-dimensional chains.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5364
_journal_page_last               5368
_journal_paper_doi               10.1039/c4dt03354j
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C109 H98 Cu2 Dy2 F60 N20 O24'
_chemical_formula_weight         3664.15
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2014-12-24 deposited with the CCDC.
2015-02-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.590(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.9627(4)
_cell_length_b                   17.4217(3)
_cell_length_c                   25.2082(6)
_cell_measurement_reflns_used    16785
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.1490
_cell_measurement_theta_min      3.4380
_cell_volume                     7441.9(3)
_computing_cell_refinement       CrysAlis
_computing_data_collection       CrysAlis
_computing_data_reduction        CrysAlis
_computing_molecular_graphics    diamond
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.856
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0406
_diffrn_reflns_av_unetI/netI     0.0865
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.856
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            41886
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.856
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.179
_diffrn_reflns_theta_min         2.836
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.417
_exptl_absorpt_correction_T_max  0.856
_exptl_absorpt_correction_T_min  0.802
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_description       block
_exptl_crystal_F_000             3628
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.110
_refine_diff_density_max         1.654
_refine_diff_density_min         -1.609
_refine_diff_density_rms         0.108
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.705(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2001
_refine_ls_number_reflns         27443
_refine_ls_number_restraints     725
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0618
_refine_ls_shift/su_max          0.069
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0784P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1449
_refine_ls_wR_factor_ref         0.1585
_reflns_Friedel_coverage         0.938
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.856
_reflns_number_gt                22234
_reflns_number_total             27443
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4dt03354j2.cif
_cod_data_source_block           p130530b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi_scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 7033926--7033928.cif.
;
_cod_database_code               7033928
#BEGIN Tags that were not found in dictionaries:
_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_min   0.765
_shelx_estimated_absorpt_t_max   0.860
_shelxl_version_number           2013-2
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -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
C1 C 0.7819(4) 1.3317(5) 0.0730(2) 0.068(2) Uani 1 1 d . . . . .
C2 C 0.7630(3) 1.3192(3) 0.1304(2) 0.0410(15) Uani 1 1 d . . . . .
C3 C 0.6963(3) 1.2716(3) 0.1404(2) 0.0407(15) Uani 1 1 d . . . . .
H3 H 0.6687 1.2498 0.1114 0.049 Uiso 1 1 calc R U . . .
C4 C 0.6708(3) 1.2565(3) 0.1899(2) 0.0397(15) Uani 1 1 d . . . . .
C5 C 0.5988(4) 1.2062(4) 0.1969(2) 0.0537(18) Uani 1 1 d . . . . .
C6 C 0.9404(4) 1.5350(4) 0.3002(3) 0.066(2) Uani 1 1 d . . . . .
C7 C 0.8719(3) 1.4782(3) 0.3037(3) 0.0459(17) Uani 1 1 d . . . . .
C8 C 0.8392(3) 1.4701(4) 0.3522(3) 0.0566(19) Uani 1 1 d . . . . .
H8 H 0.8592 1.5007 0.3799 0.068 Uiso 1 1 calc R U . . .
C9 C 0.7788(3) 1.4197(3) 0.3630(2) 0.0387(15) Uani 1 1 d . . . . .
C10 C 0.7497(4) 1.4168(5) 0.4212(3) 0.072(2) Uani 1 1 d . . . . .
C11 C 0.8704(5) 1.1219(4) 0.5549(5) 0.128(3) Uani 1 1 d D U . . .
C12 C 0.8228(4) 1.0507(4) 0.5664(4) 0.095(3) Uani 1 1 d D U . . .
C13 C 0.8076(5) 1.0334(6) 0.6171(4) 0.101(3) Uani 1 1 d . U . . .
H13 H 0.8222 1.0696 0.6429 0.121 Uiso 1 1 calc R U . . .
C14 C 0.7730(6) 0.9682(6) 0.6341(3) 0.114(3) Uani 1 1 d D U . . .
C15 C 0.7644(9) 0.9537(9) 0.6931(3) 0.186(4) Uani 1 1 d D U . . .
C16 C 0.5177(5) 1.0410(5) 0.5310(3) 0.080(2) Uani 1 1 d . U . . .
C17 C 0.5691(3) 0.9805(4) 0.5052(3) 0.0508(17) Uani 1 1 d . U . . .
C18 C 0.5372(4) 0.9401(4) 0.4633(3) 0.065(2) Uani 1 1 d . U . . .
H18 H 0.4857 0.9503 0.4512 0.078 Uiso 1 1 calc R U . . .
C19 C 0.5793(4) 0.8846(4) 0.4384(3) 0.063(2) Uani 1 1 d . U . . .
C20 C 0.5372(5) 0.8439(7) 0.3922(4) 0.111(3) Uani 1 1 d . U . . .
C21 C 1.0041(5) 0.8292(5) 0.5692(4) 0.089(3) Uani 1 1 d . U . . .
C22 C 0.9291(4) 0.8209(4) 0.5350(3) 0.0597(19) Uani 1 1 d . U . . .
C23 C 0.9262(4) 0.7662(4) 0.4966(3) 0.070(2) Uani 1 1 d . U . . .
H23 H 0.9708 0.7364 0.4916 0.084 Uiso 1 1 calc R U . . .
C24 C 0.8599(5) 0.7535(5) 0.4652(3) 0.076(2) Uani 1 1 d . U . . .
C25 C 0.8608(6) 0.6891(6) 0.4196(4) 0.117(3) Uani 1 1 d . U . . .
C26 C 0.8968(5) 0.5349(5) 0.7845(3) 0.080(3) Uani 1 1 d . . . . .
C27 C 0.8313(3) 0.4775(4) 0.7914(3) 0.0492(17) Uani 1 1 d . . . . .
C28 C 0.8132(4) 0.4604(5) 0.8435(3) 0.064(2) Uani 1 1 d . . . . .
H28 H 0.8415 0.4841 0.8714 0.077 Uiso 1 1 calc R U . . .
C29 C 0.7524(4) 0.4075(4) 0.8547(3) 0.0536(18) Uani 1 1 d . . . . .
C30 C 0.7449(5) 0.3893(5) 0.9155(3) 0.101(3) Uani 1 1 d . . . . .
C31 C 0.7191(4) 0.3200(5) 0.5706(3) 0.081(3) Uani 1 1 d . . . . .
C32 C 0.7013(3) 0.3078(3) 0.6297(2) 0.0465(16) Uani 1 1 d . . . . .
C33 C 0.6583(4) 0.2446(4) 0.6445(2) 0.0555(19) Uani 1 1 d . . . . .
H33 H 0.6492 0.2057 0.6197 0.067 Uiso 1 1 calc R U . . .
C34 C 0.6286(4) 0.2362(4) 0.6935(3) 0.062(2) Uani 1 1 d . . . . .
C35 C 0.5812(6) 0.1639(6) 0.7037(4) 0.116(3) Uani 1 1 d . U . . .
C36 C 0.6262(6) 0.0306(6) 1.0810(4) 0.112(3) Uani 1 1 d . U . . .
C37 C 0.6267(4) -0.0261(4) 1.0333(3) 0.076(2) Uani 1 1 d . U . . .
C38 C 0.5580(4) -0.0419(4) 1.0057(3) 0.068(2) Uani 1 1 d . U . . .
H38 H 0.5126 -0.0148 1.0131 0.082 Uiso 1 1 calc R U . . .
C39 C 0.5547(3) -0.0971(3) 0.9673(2) 0.0452(15) Uani 1 1 d . U . . .
C40 C 0.4747(4) -0.1123(5) 0.9386(3) 0.075(2) Uani 1 1 d . U . . .
C41 C 0.9681(4) -0.3031(4) 0.9367(4) 0.077(2) Uani 1 1 d . U . . .
C42 C 0.9224(3) -0.2400(4) 0.9671(3) 0.0539(17) Uani 1 1 d . U . . .
C43 C 0.9645(4) -0.1903(4) 1.0003(3) 0.064(2) Uani 1 1 d . U . . .
H43 H 1.0188 -0.1959 1.0055 0.076 Uiso 1 1 calc R U . . .
C44 C 0.9263(4) -0.1328(4) 1.0256(3) 0.070(2) Uani 1 1 d . U . . .
C45 C 0.9787(3) -0.0786(3) 1.0636(2) 0.120(3) Uani 1 1 d D U . . .
C46 C 0.6347(3) -0.4032(3) 0.9734(2) 0.144(4) Uani 1 1 d D U . . .
C47 C 0.6698(4) -0.3314(4) 0.9494(3) 0.090(3) Uani 1 1 d D U . . .
C48 C 0.6664(5) -0.3263(6) 0.8968(4) 0.108(3) Uani 1 1 d . U . . .
H48 H 0.6469 -0.3691 0.8785 0.130 Uiso 1 1 calc R U . . .
C49 C 0.6889(6) -0.2637(7) 0.8651(3) 0.121(3) Uani 1 1 d D U . . .
C50 C 0.6807(8) -0.2504(9) 0.8055(3) 0.179(4) Uani 1 1 d D U . . .
C51 C 0.7092(4) -0.2581(5) 1.0907(2) 0.064(2) Uani 1 1 d . . . . .
C52 C 0.6711(4) -0.3799(4) 1.1506(2) 0.058(2) Uani 1 1 d . . . . .
C53 C 0.5050(5) -0.2403(5) 1.0722(4) 0.113(4) Uani 1 1 d . U . . .
H53A H 0.5204 -0.2683 1.0415 0.169 Uiso 1 1 calc R U . . .
H53B H 0.4684 -0.2007 1.0613 0.169 Uiso 1 1 calc R U . . .
H53C H 0.4803 -0.2746 1.0962 0.169 Uiso 1 1 calc R U . . .
C54 C 0.5746(4) -0.2058(4) 1.0987(3) 0.065(2) Uani 1 1 d . U . . .
H54 H 0.5953 -0.1658 1.0758 0.078 Uiso 1 1 calc R U . . .
C55 C 0.5532(7) -0.1705(7) 1.1503(4) 0.172(5) Uani 1 1 d . U . . .
H55A H 0.5224 -0.2062 1.1697 0.258 Uiso 1 1 calc R U . . .
H55B H 0.5231 -0.1246 1.1434 0.258 Uiso 1 1 calc R U . . .
H55C H 0.6005 -0.1579 1.1709 0.258 Uiso 1 1 calc R U . . .
C56 C 0.8572(5) -0.3876(6) 1.0508(4) 0.120(3) Uani 1 1 d . U . . .
H56A H 0.8694 -0.4312 1.0730 0.180 Uiso 1 1 calc R U . . .
H56B H 0.9003 -0.3781 1.0282 0.180 Uiso 1 1 calc R U . . .
H56C H 0.8102 -0.3978 1.0294 0.180 Uiso 1 1 calc R U . . .
C57 C 0.8444(5) -0.3172(6) 1.0855(3) 0.098(3) Uani 1 1 d . U . . .
H57 H 0.8529 -0.2717 1.0636 0.117 Uiso 1 1 calc R U . . .
C58 C 0.8973(5) -0.3124(8) 1.1309(4) 0.151(5) Uani 1 1 d . U . . .
H58A H 0.8925 -0.2629 1.1471 0.227 Uiso 1 1 calc R U . . .
H58B H 0.9505 -0.3195 1.1203 0.227 Uiso 1 1 calc R U . . .
H58C H 0.8846 -0.3516 1.1559 0.227 Uiso 1 1 calc R U . . .
C59 C 0.9115(6) -0.1174(6) 0.8277(4) 0.136(4) Uani 1 1 d . U . . .
H59A H 0.8561 -0.1271 0.8219 0.204 Uiso 1 1 calc R U . . .
H59B H 0.9388 -0.1652 0.8336 0.204 Uiso 1 1 calc R U . . .
H59C H 0.9314 -0.0924 0.7971 0.204 Uiso 1 1 calc R U . . .
C60 C 0.9253(4) -0.0641(4) 0.8780(3) 0.0602(18) Uani 1 1 d . U . . .
H60 H 0.9158 -0.0936 0.9102 0.072 Uiso 1 1 calc R U . . .
C61 C 1.0093(5) -0.0390(6) 0.8791(4) 0.119(4) Uani 1 1 d . U . . .
H61A H 1.0264 -0.0348 0.8435 0.178 Uiso 1 1 calc R U . . .
H61B H 1.0414 -0.0759 0.8983 0.178 Uiso 1 1 calc R U . . .
H61C H 1.0141 0.0101 0.8964 0.178 Uiso 1 1 calc R U . . .
C62 C 0.7994(3) -0.0049(3) 0.8958(3) 0.062(2) Uani 1 1 d . . . . .
C63 C 0.6785(6) 0.1391(6) 0.9561(5) 0.137(5) Uani 1 1 d . . . . .
H63A H 0.7281 0.1382 0.9759 0.205 Uiso 1 1 calc R U . . .
H63B H 0.6362 0.1380 0.9801 0.205 Uiso 1 1 calc R U . . .
H63C H 0.6749 0.1851 0.9351 0.205 Uiso 1 1 calc R U . . .
C64 C 0.6722(5) 0.0663(5) 0.9181(4) 0.090(3) Uani 1 1 d . U . . .
H64 H 0.6645 0.0209 0.9402 0.108 Uiso 1 1 calc R U . . .
C65 C 0.6070(4) 0.0710(6) 0.8803(3) 0.088(3) Uani 1 1 d . U . . .
H65A H 0.6114 0.1170 0.8597 0.131 Uiso 1 1 calc R U . . .
H65B H 0.5586 0.0721 0.8986 0.131 Uiso 1 1 calc R U . . .
H65C H 0.6073 0.0272 0.8573 0.131 Uiso 1 1 calc R U . . .
C66 C 0.8312(3) 0.1083(3) 0.8303(2) 0.0463(16) Uani 1 1 d . . . . .
C67 C 0.7915(3) 0.2287(3) 0.7847(2) 0.0410(15) Uani 1 1 d . . . . .
H67 H 0.7442 0.2251 0.8018 0.049 Uiso 1 1 calc R U . . .
C68 C 0.8485(3) 0.1737(3) 0.7946(2) 0.0422(15) Uani 1 1 d . . . . .
C69 C 0.9193(3) 0.1761(3) 0.7697(3) 0.0557(18) Uani 1 1 d . . . . .
H69 H 0.9584 0.1393 0.7757 0.067 Uiso 1 1 calc R U . . .
C70 C 0.9288(4) 0.2400(4) 0.7335(3) 0.070(2) Uani 1 1 d . . . . .
H70 H 0.9747 0.2450 0.7149 0.084 Uiso 1 1 calc R U . . .
C71 C 0.8713(3) 0.2909(4) 0.7272(2) 0.0532(17) Uani 1 1 d . . . . .
H71 H 0.8798 0.3320 0.7047 0.064 Uiso 1 1 calc R U . . .
C72 C 0.5702(3) 0.4524(3) 0.7575(2) 0.0486(16) Uani 1 1 d . . . . .
H72 H 0.5589 0.4114 0.7795 0.058 Uiso 1 1 calc R U . . .
C73 C 0.5172(4) 0.5142(3) 0.7532(2) 0.0518(17) Uani 1 1 d . . . . .
H73 H 0.4719 0.5143 0.7727 0.062 Uiso 1 1 calc R U . . .
C74 C 0.5323(3) 0.5738(3) 0.7204(2) 0.0408(15) Uani 1 1 d . . . . .
H74 H 0.4977 0.6150 0.7171 0.049 Uiso 1 1 calc R U . . .
C75 C 0.6005(3) 0.5719(3) 0.6919(2) 0.0366(14) Uani 1 1 d . . . . .
C76 C 0.6500(3) 0.5103(3) 0.6979(2) 0.0374(14) Uani 1 1 d . . . . .
H76 H 0.6951 0.5089 0.6783 0.045 Uiso 1 1 calc R U . . .
C77 C 0.6217(3) 0.6354(3) 0.6553(2) 0.0376(14) Uani 1 1 d . . . . .
C78 C 0.8521(4) 0.6627(5) 0.6173(3) 0.089(3) Uani 1 1 d . . . . .
H78A H 0.8535 0.7087 0.6383 0.134 Uiso 1 1 calc R U . . .
H78B H 0.9017 0.6564 0.6009 0.134 Uiso 1 1 calc R U . . .
H78C H 0.8426 0.6193 0.6396 0.134 Uiso 1 1 calc R U . . .
C79 C 0.7877(4) 0.6687(4) 0.5753(3) 0.067(2) Uani 1 1 d . . . . .
H79 H 0.7988 0.7130 0.5529 0.080 Uiso 1 1 calc R U . . .
C80 C 0.7799(4) 0.5952(5) 0.5383(3) 0.090(3) Uani 1 1 d . . . . .
H80A H 0.8236 0.5613 0.5461 0.136 Uiso 1 1 calc R U . . .
H80B H 0.7801 0.6106 0.5018 0.136 Uiso 1 1 calc R U . . .
H80C H 0.7314 0.5691 0.5447 0.136 Uiso 1 1 calc R U . . .
C81 C 0.5026(5) 0.8334(5) 0.6502(3) 0.110(3) Uani 1 1 d . . . . .
H81A H 0.4731 0.7914 0.6639 0.165 Uiso 1 1 calc R U . . .
H81B H 0.4680 0.8761 0.6431 0.165 Uiso 1 1 calc R U . . .
H81C H 0.5433 0.8482 0.6759 0.165 Uiso 1 1 calc R U . . .
C82 C 0.5383(3) 0.8098(3) 0.6011(2) 0.0510(16) Uani 1 1 d . . . . .
H82 H 0.5674 0.8537 0.5875 0.061 Uiso 1 1 calc R U . . .
C83 C 0.4789(4) 0.7864(5) 0.5602(4) 0.088(3) Uani 1 1 d . . . . .
H83A H 0.5048 0.7679 0.5296 0.132 Uiso 1 1 calc R U . . .
H83B H 0.4463 0.8296 0.5504 0.132 Uiso 1 1 calc R U . . .
H83C H 0.4468 0.7463 0.5740 0.132 Uiso 1 1 calc R U . . .
C84 C 0.6650(3) 0.7451(4) 0.5878(2) 0.0508(17) Uani 1 1 d . . . . .
C85 C 0.8238(3) 0.9937(4) 0.4103(2) 0.0471(16) Uani 1 1 d . . . . .
C86 C 1.0274(5) 0.9790(6) 0.4405(5) 0.129(4) Uani 1 1 d . . . . .
H86A H 1.0432 1.0225 0.4202 0.194 Uiso 1 1 calc R U . . .
H86B H 1.0702 0.9430 0.4438 0.194 Uiso 1 1 calc R U . . .
H86C H 1.0135 0.9956 0.4751 0.194 Uiso 1 1 calc R U . . .
C87 C 0.9587(3) 0.9419(4) 0.4133(3) 0.0609(19) Uani 1 1 d . . . . .
H87 H 0.9350 0.9062 0.4381 0.073 Uiso 1 1 calc R U . . .
C88 C 0.9824(5) 0.8968(6) 0.3645(3) 0.134(4) Uani 1 1 d . . . . .
H88A H 0.9360 0.8827 0.3436 0.201 Uiso 1 1 calc R U . . .
H88B H 1.0104 0.8513 0.3757 0.201 Uiso 1 1 calc R U . . .
H88C H 1.0158 0.9281 0.3436 0.201 Uiso 1 1 calc R U . . .
C89 C 0.6619(5) 1.1210(5) 0.4223(4) 0.152(4) Uani 1 1 d . U . . .
H89A H 0.6795 1.1270 0.4588 0.228 Uiso 1 1 calc R U . . .
H89B H 0.6053 1.1214 0.4196 0.228 Uiso 1 1 calc R U . . .
H89C H 0.6819 1.1625 0.4017 0.228 Uiso 1 1 calc R U . . .
C90 C 0.6898(4) 1.0511(5) 0.4029(3) 0.088(2) Uani 1 1 d . U . . .
H90 H 0.6808 1.0119 0.4299 0.105 Uiso 1 1 calc R U . . .
C91 C 0.6447(6) 1.0250(8) 0.3504(4) 0.163(5) Uani 1 1 d . U . . .
H91A H 0.5895 1.0200 0.3566 0.244 Uiso 1 1 calc R U . . .
H91B H 0.6650 0.9764 0.3393 0.244 Uiso 1 1 calc R U . . .
H91C H 0.6519 1.0625 0.3232 0.244 Uiso 1 1 calc R U . . .
C92 C 0.8722(3) 1.1107(3) 0.3517(2) 0.0442(16) Uani 1 1 d . . . . .
C93 C 0.8422(3) 1.2290(3) 0.3028(2) 0.0431(16) Uani 1 1 d . . . . .
H93 H 0.7925 1.2274 0.3169 0.052 Uiso 1 1 calc R U . . .
C94 C 0.8963(3) 1.1729(3) 0.3163(2) 0.0365(14) Uani 1 1 d . . . . .
C95 C 0.9707(3) 1.1767(4) 0.2956(2) 0.0490(17) Uani 1 1 d . . . . .
H95 H 1.0090 1.1402 0.3048 0.059 Uiso 1 1 calc R U . . .
C96 C 0.9866(4) 1.2343(4) 0.2617(3) 0.062(2) Uani 1 1 d . . . . .
H96 H 1.0359 1.2367 0.2470 0.074 Uiso 1 1 calc R U . . .
C97 C 0.9326(3) 1.2881(4) 0.2491(2) 0.0562(19) Uani 1 1 d . . . . .
H97 H 0.9454 1.3274 0.2261 0.067 Uiso 1 1 calc R U . . .
C98 C 0.7052(3) 1.5000(4) 0.1957(2) 0.0469(17) Uani 1 1 d . . . . .
H98 H 0.7539 1.5028 0.1802 0.056 Uiso 1 1 calc R U . . .
C99 C 0.6498(4) 1.5568(4) 0.1843(2) 0.0513(18) Uani 1 1 d . . . . .
C100 C 0.5780(4) 1.5530(4) 0.2059(3) 0.062(2) Uani 1 1 d . . . . .
H100 H 0.5400 1.5907 0.1993 0.074 Uiso 1 1 calc R U . . .
C101 C 0.5638(4) 1.4895(4) 0.2387(3) 0.063(2) Uani 1 1 d . . . . .
H101 H 0.5151 1.4842 0.2537 0.076 Uiso 1 1 calc R U . . .
C102 C 0.6205(3) 1.4361(4) 0.2485(2) 0.0543(18) Uani 1 1 d . . . . .
H102 H 0.6094 1.3945 0.2700 0.065 Uiso 1 1 calc R U . . .
C103 C 0.8433(7) 1.0981(8) 0.1705(6) 0.185(6) Uani 1 1 d . U . . .
H10A H 0.8966 1.0794 0.1732 0.278 Uiso 1 1 calc R U . . .
H10B H 0.8437 1.1532 0.1689 0.278 Uiso 1 1 calc R U . . .
H10C H 0.8172 1.0781 0.1389 0.278 Uiso 1 1 calc R U . . .
C104 C 0.7984(18) 1.0716(18) 0.2202(14) 0.499(6) Uani 1 1 d . U . . .
H10D H 0.7417 1.0794 0.2174 0.599 Uiso 1 1 calc R U . . .
H10E H 0.8212 1.0894 0.2539 0.599 Uiso 1 1 calc R U . . .
C105 C 0.8281(9) 0.9847(9) 0.2018(6) 0.212(5) Uani 1 1 d . U . . .
H10F H 0.8110 0.9711 0.1658 0.255 Uiso 1 1 calc R U . . .
H10G H 0.8844 0.9765 0.2076 0.255 Uiso 1 1 calc R U . . .
C106 C 0.7828(10) 0.9509(4) 0.2406(7) 0.244(5) Uani 1 1 d D U . . .
H10H H 0.7277 0.9648 0.2348 0.292 Uiso 1 1 calc R U . . .
H10I H 0.8005 0.9686 0.2756 0.292 Uiso 1 1 calc R U . . .
C107 C 0.7923(7) 0.8640(4) 0.2369(5) 0.259(5) Uani 1 1 d D U . . .
H10J H 0.8476 0.8527 0.2449 0.310 Uiso 1 1 calc R U . . .
H10K H 0.7814 0.8499 0.2001 0.310 Uiso 1 1 calc R U . . .
C108 C 0.7444(7) 0.8100(4) 0.2707(5) 0.263(5) Uani 1 1 d D U . . .
H10L H 0.6913 0.8297 0.2643 0.316 Uiso 1 1 calc R U . . .
H10M H 0.7597 0.8267 0.3064 0.316 Uiso 1 1 calc R U . . .
C109 C 0.7290(9) 0.7239(4) 0.2790(7) 0.242(6) Uani 1 1 d D U . . .
H10N H 0.6767 0.7114 0.2658 0.364 Uiso 1 1 calc R U . . .
H10O H 0.7343 0.7121 0.3162 0.364 Uiso 1 1 calc R U . . .
H10P H 0.7667 0.6945 0.2602 0.364 Uiso 1 1 calc R U . . .
Cu1 Cu 0.71693(4) 0.36789(4) 0.74026(2) 0.03742(16) Uani 1 1 d . . . . .
Cu2 Cu 0.77629(4) 1.36369(4) 0.24780(2) 0.03935(18) Uani 1 1 d . . . . .
Dy1 Dy 0.74217(2) -0.15946(2) 0.97692(2) 0.03389(6) Uani 1 1 d . . . . .
Dy2 Dy 0.74760(2) 0.89330(2) 0.51476(2) 0.03720(6) Uani 1 1 d . . . . .
F1 F 0.7715(4) 1.4057(4) 0.0603(2) 0.149(3) Uani 1 1 d . U . . .
F2 F 0.8546(2) 1.3195(4) 0.06452(16) 0.125(2) Uani 1 1 d . U . . .
F3 F 0.7382(3) 1.2921(4) 0.03828(16) 0.1115(19) Uani 1 1 d . U . . .
F4 F 0.5457(2) 1.2385(2) 0.22516(17) 0.0757(13) Uani 1 1 d . U . . .
F5 F 0.6184(2) 1.1414(2) 0.2194(2) 0.0895(15) Uani 1 1 d . U . . .
F6 F 0.5624(3) 1.1895(3) 0.15017(17) 0.0904(15) Uani 1 1 d . U . . .
F7 F 0.9673(3) 1.5631(3) 0.3445(2) 0.1425(18) Uani 1 1 d . U . . .
F8 F 1.0008(2) 1.5052(3) 0.27752(18) 0.0934(16) Uani 1 1 d . U . . .
F9 F 0.9202(3) 1.5949(3) 0.2706(3) 0.143(2) Uani 1 1 d . U . . .
F10 F 0.7942(3) 1.4526(3) 0.45611(15) 0.0934(16) Uani 1 1 d . U . . .
F11 F 0.6778(3) 1.4411(4) 0.42167(19) 0.126(2) Uani 1 1 d . U . . .
F12 F 0.7488(3) 1.3460(3) 0.43733(16) 0.1171(19) Uani 1 1 d . U . . .
F13 F 0.8804(6) 1.1682(5) 0.5918(4) 0.251(5) Uani 1 1 d . U . . .
F14 F 0.9399(4) 1.1070(4) 0.5381(4) 0.206(4) Uani 1 1 d . U . . .
F15 F 0.8456(4) 1.1584(4) 0.5097(3) 0.175(3) Uani 1 1 d . U . . .
F16 F 0.7854(7) 1.0168(7) 0.7215(4) 0.296(5) Uani 1 1 d . U . . .
F17 F 0.8002(7) 0.8916(7) 0.7103(4) 0.284(5) Uani 1 1 d . U . . .
F18 F 0.6888(5) 0.9428(7) 0.7014(3) 0.213(4) Uani 1 1 d . U . . .
F19 F 0.4955(3) 1.0161(3) 0.5795(2) 0.124(2) Uani 1 1 d . U . . .
F20 F 0.4554(3) 1.0612(4) 0.5058(3) 0.144(2) Uani 1 1 d . U . . .
F21 F 0.5576(3) 1.1040(3) 0.5431(2) 0.1123(19) Uani 1 1 d . U . . .
F22 F 0.5210(4) 0.7739(4) 0.4070(3) 0.172(3) Uani 1 1 d . U . . .
F23 F 0.5849(4) 0.8369(6) 0.3529(3) 0.205(3) Uani 1 1 d . U . . .
F24 F 0.4768(3) 0.8752(3) 0.3719(2) 0.1199(19) Uani 1 1 d . U . . .
F25 F 0.9933(3) 0.8314(4) 0.62052(19) 0.118(2) Uani 1 1 d . U . . .
F26 F 1.0558(3) 0.7736(5) 0.5656(3) 0.179(3) Uani 1 1 d . U . . .
F27 F 1.0392(3) 0.8951(4) 0.5595(3) 0.184(3) Uani 1 1 d . U . . .
F28 F 0.9016(4) 0.6279(3) 0.4383(3) 0.150(3) Uani 1 1 d . U . . .
F29 F 0.7992(4) 0.6711(4) 0.4019(3) 0.187(3) Uani 1 1 d . U . . .
F30 F 0.9038(5) 0.7178(4) 0.3810(3) 0.207(3) Uani 1 1 d . U . . .
F31 F 0.9356(3) 0.5576(4) 0.8285(2) 0.151(2) Uani 1 1 d . U . . .
F32 F 0.9522(3) 0.5089(4) 0.7559(2) 0.138(2) Uani 1 1 d . U . . .
F33 F 0.8727(3) 0.5978(3) 0.7589(3) 0.125(2) Uani 1 1 d . U . . .
F34 F 0.7795(4) 0.3210(4) 0.9234(2) 0.163(2) Uani 1 1 d . U . . .
F35 F 0.7782(3) 0.4371(4) 0.94681(18) 0.117(2) Uani 1 1 d . U . . .
F36 F 0.6696(3) 0.3819(4) 0.92540(18) 0.1186(18) Uani 1 1 d . U . . .
F37 F 0.7928(3) 0.3302(3) 0.56249(17) 0.0924(15) Uani 1 1 d . U . . .
F38 F 0.7003(3) 0.2584(3) 0.54122(18) 0.118(2) Uani 1 1 d . U . . .
F39 F 0.6787(3) 0.3774(3) 0.55024(17) 0.128(2) Uani 1 1 d . U . . .
F40 F 0.6024(4) 0.1284(3) 0.7457(2) 0.138(2) Uani 1 1 d . U . . .
F41 F 0.5051(4) 0.1899(5) 0.7184(3) 0.190(3) Uani 1 1 d . U . . .
F42 F 0.5703(4) 0.1188(3) 0.6672(3) 0.187(3) Uani 1 1 d . U . . .
F43 F 0.5696(5) 0.0799(5) 1.0702(4) 0.269(4) Uani 1 1 d . U . . .
F44 F 0.6198(6) -0.0013(5) 1.1256(3) 0.229(4) Uani 1 1 d . U . . .
F45 F 0.6846(4) 0.0770(3) 1.0817(3) 0.179(3) Uani 1 1 d . U . . .
F46 F 0.4515(3) -0.1836(3) 0.9454(3) 0.143(2) Uani 1 1 d . U . . .
F47 F 0.4191(3) -0.0720(4) 0.9517(3) 0.179(3) Uani 1 1 d . U . . .
F48 F 0.4788(3) -0.1045(4) 0.88839(19) 0.135(2) Uani 1 1 d . U . . .
F49 F 0.9237(3) -0.3668(3) 0.9339(3) 0.118(2) Uani 1 1 d . U . . .
F50 F 1.0324(3) -0.3236(3) 0.9632(3) 0.136(2) Uani 1 1 d . U . . .
F51 F 0.9845(3) -0.2788(4) 0.8915(2) 0.145(2) Uani 1 1 d . U . . .
F52 F 0.9822(5) -0.1118(4) 1.1106(2) 0.174(5) Uani 0.618(6) 1 d D U P A 1
F53 F 1.0521(3) -0.0710(5) 1.0479(3) 0.131(4) Uani 0.618(6) 1 d D U P A 1
F54 F 0.9505(4) -0.0085(3) 1.0688(3) 0.135(3) Uani 0.618(6) 1 d D U P A 1
F55 F 0.6172(4) -0.4574(3) 0.9394(2) 0.216(4) Uani 1 1 d D U . . .
F56 F 0.6847(3) -0.4290(4) 1.0113(2) 0.227(4) Uani 1 1 d D U . . .
F57 F 0.5697(3) -0.3841(3) 0.9976(3) 0.221(4) Uani 1 1 d D U . . .
F58 F 0.7564(5) -0.2490(6) 0.7862(3) 0.207(4) Uani 1 1 d . U . . .
F59 F 0.6497(7) -0.3086(8) 0.7852(4) 0.320(6) Uani 1 1 d . U . . .
F60 F 0.6596(7) -0.1771(8) 0.7875(4) 0.304(5) Uani 1 1 d . U . . .
F52' F 1.0429(4) -0.1154(4) 1.0821(4) 0.157(6) Uani 0.382(6) 1 d D U P A 2
F53' F 1.0010(6) -0.0204(4) 1.0345(3) 0.203(8) Uani 0.382(6) 1 d D U P A 2
F54' F 0.9445(4) -0.0506(6) 1.1056(3) 0.195(8) Uani 0.382(6) 1 d D U P A 2
N1 N 0.6376(3) -0.2656(3) 1.1092(2) 0.0588(16) Uani 1 1 d . . . . .
N2 N 0.6154(3) -0.3278(3) 1.1401(2) 0.0597(17) Uani 1 1 d . . . . .
N3 N 0.7447(3) -0.3778(4) 1.1350(2) 0.0732(19) Uani 1 1 d . . . . .
N4 N 0.7615(3) -0.3130(4) 1.1043(2) 0.0794(19) Uani 1 1 d . . . . .
N5 N 0.7474(3) 0.0546(3) 0.8883(3) 0.0934(19) Uani 1 1 d . . . . .
N6 N 0.7627(3) 0.1106(3) 0.8515(3) 0.1003(19) Uani 1 1 d . . . . .
N7 N 0.8666(3) -0.0023(2) 0.8720(2) 0.0430(13) Uani 1 1 d . . . . .
N8 N 0.8859(3) 0.0556(3) 0.8378(2) 0.0445(13) Uani 1 1 d . . . . .
N9 N 0.8020(3) 0.2884(2) 0.75041(17) 0.0370(12) Uani 1 1 d . . . . .
N10 N 0.6363(3) 0.4510(2) 0.73103(16) 0.0345(11) Uani 1 1 d . . . . .
N11 N 0.5691(2) 0.6901(2) 0.64606(17) 0.0370(12) Uani 1 1 d . . . . .
N12 N 0.5945(2) 0.7479(2) 0.61276(18) 0.0384(12) Uani 1 1 d . . . . .
N13 N 0.7118(3) 0.6831(3) 0.6009(2) 0.0578(15) Uani 1 1 d . . . . .
N14 N 0.6923(3) 0.6273(3) 0.6351(2) 0.0523(15) Uani 1 1 d . . . . .
N15 N 0.7733(3) 1.0519(3) 0.39397(19) 0.0510(14) Uani 1 1 d . . . . .
N16 N 0.7961(3) 1.1120(3) 0.3621(2) 0.0509(14) Uani 1 1 d . . . . .
N17 N 0.9259(3) 1.0587(3) 0.36642(18) 0.0435(13) Uani 1 1 d . . . . .
N18 N 0.8985(3) 0.9998(3) 0.39622(18) 0.0416(13) Uani 1 1 d . . . . .
N19 N 0.8600(3) 1.2871(3) 0.26883(17) 0.0402(12) Uani 1 1 d . . . . .
N20 N 0.6910(2) 1.4408(3) 0.22848(18) 0.0423(13) Uani 1 1 d . . . . .
O1 O 0.8065(2) 1.3531(2) 0.16289(13) 0.0469(11) Uani 1 1 d . . . . .
O2 O 0.6987(2) 1.2796(3) 0.23523(14) 0.0524(12) Uani 1 1 d . . . . .
O3 O 0.8542(2) 1.4481(2) 0.26014(15) 0.0448(11) Uani 1 1 d . . . . .
O4 O 0.7449(2) 1.3748(2) 0.33292(14) 0.0509(12) Uani 1 1 d . . . . .
O5 O 0.7464(3) 0.9193(3) 0.6050(2) 0.0871(19) Uani 1 1 d . . . . .
O6 O 0.8053(3) 1.0120(3) 0.5275(3) 0.085(2) Uani 1 1 d . . . . .
O7 O 0.6376(2) 0.9740(2) 0.52687(17) 0.0485(12) Uani 1 1 d . . . . .
O8 O 0.6489(2) 0.8639(2) 0.45059(16) 0.0514(12) Uani 1 1 d . . . . .
O9 O 0.8743(2) 0.8645(3) 0.54757(17) 0.0580(13) Uani 1 1 d . . . . .
O10 O 0.7946(2) 0.7848(3) 0.4681(2) 0.0635(15) Uani 1 1 d . . . . .
O11 O 0.8029(2) 0.4524(2) 0.74894(16) 0.0487(12) Uani 1 1 d . . . . .
O12 O 0.7057(2) 0.3720(2) 0.82389(17) 0.0556(12) Uani 1 1 d . . . . .
O13 O 0.6335(3) 0.2793(3) 0.73245(18) 0.0635(14) Uani 1 1 d . . . . .
O14 O 0.7265(2) 0.3631(2) 0.65667(15) 0.0531(12) Uani 1 1 d . . . . .
O15 O 0.6083(2) -0.1393(2) 0.95449(15) 0.0492(12) Uani 1 1 d . . . . .
O16 O 0.6946(3) -0.0562(3) 1.0274(2) 0.0705(16) Uani 1 1 d . . . . .
O17 O 0.8558(2) -0.1165(3) 1.02332(17) 0.0569(12) Uani 1 1 d . . . . .
O18 O 0.8478(2) -0.2358(2) 0.95488(19) 0.0558(13) Uani 1 1 d . . . . .
O19 O 0.6909(3) -0.2834(2) 0.9775(2) 0.0781(18) Uani 1 1 d . . . . .
O20 O 0.7214(3) -0.1968(4) 0.8869(2) 0.0855(19) Uani 1 1 d . . . . .
O21 O 0.7289(3) -0.2007(3) 1.06399(17) 0.0720(15) Uani 1 1 d . . . . .
O22 O 0.7822(3) -0.0582(3) 0.9268(2) 0.0771(15) Uani 1 1 d . U . . .
O23 O 0.6825(2) 0.7927(2) 0.55414(17) 0.0571(12) Uani 1 1 d . . . . .
O24 O 0.7996(2) 0.9381(3) 0.43455(17) 0.0611(13) Uani 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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_3
F2 C1 F3 108.7(6) .
F2 C1 F1 103.7(7) .
F3 C1 F1 106.4(6) .
F2 C1 C2 112.5(5) .
F3 C1 C2 115.1(6) .
F1 C1 C2 109.6(6) .
O1 C2 C3 128.1(5) .
O1 C2 C1 114.9(5) .
C3 C2 C1 117.0(5) .
C4 C3 C2 123.8(5) .
O2 C4 C3 129.4(5) .
O2 C4 C5 110.1(5) .
C3 C4 C5 120.5(5) .
F5 C5 F4 107.7(5) .
F5 C5 F6 107.1(5) .
F4 C5 F6 105.8(5) .
F5 C5 C4 111.2(5) .
F4 C5 C4 113.3(5) .
F6 C5 C4 111.4(5) .
F7 C6 F8 106.1(6) .
F7 C6 F9 105.2(6) .
F8 C6 F9 104.9(6) .
F7 C6 C7 115.9(6) .
F8 C6 C7 112.4(6) .
F9 C6 C7 111.4(6) .
O3 C7 C8 130.8(6) .
O3 C7 C6 112.1(5) .
C8 C7 C6 117.1(6) .
C7 C8 C9 124.8(6) .
O4 C9 C8 128.3(5) .
O4 C9 C10 113.6(5) .
C8 C9 C10 118.1(5) .
F11 C10 F10 111.0(7) .
F11 C10 F12 106.5(7) .
F10 C10 F12 105.1(6) .
F11 C10 C9 109.5(5) .
F10 C10 C9 114.9(6) .
F12 C10 C9 109.4(6) .
F13 C11 F14 106.3(9) .
F13 C11 F15 110.7(8) .
F14 C11 F15 94.1(9) .
F13 C11 C12 116.4(10) .
F14 C11 C12 113.4(7) .
F15 C11 C12 113.5(8) .
O6 C12 C13 126.1(7) .
O6 C12 C11 114.3(8) .
C13 C12 C11 119.4(9) .
C12 C13 C14 126.1(8) .
O5 C14 C13 124.0(7) .
O5 C14 C15 115.5(10) .
C13 C14 C15 120.5(10) .
F17 C15 F18 105.6(12) .
F17 C15 F16 113.0(11) .
F18 C15 F16 105.4(12) .
F17 C15 C14 113.5(11) .
F18 C15 C14 108.4(9) .
F16 C15 C14 110.4(11) .
F20 C16 F21 107.2(7) .
F20 C16 F19 106.3(7) .
F21 C16 F19 102.5(7) .
F20 C16 C17 117.4(7) .
F21 C16 C17 112.0(6) .
F19 C16 C17 110.2(6) .
O7 C17 C18 127.9(6) .
O7 C17 C16 114.1(6) .
C18 C17 C16 118.0(6) .
C17 C18 C19 121.5(6) .
O8 C19 C18 126.4(7) .
O8 C19 C20 117.2(7) .
C18 C19 C20 116.5(7) .
F24 C20 F22 110.1(8) .
F24 C20 F23 104.6(8) .
F22 C20 F23 105.9(10) .
F24 C20 C19 117.3(9) .
F22 C20 C19 108.4(8) .
F23 C20 C19 109.8(8) .
F26 C21 F25 102.3(7) .
F26 C21 F27 108.7(7) .
F25 C21 F27 103.9(8) .
F26 C21 C22 116.0(8) .
F25 C21 C22 114.4(6) .
F27 C21 C22 110.6(7) .
O9 C22 C23 127.1(6) .
O9 C22 C21 114.4(6) .
C23 C22 C21 118.4(6) .
C22 C23 C24 121.9(7) .
O10 C24 C23 127.6(8) .
O10 C24 C25 112.8(7) .
C23 C24 C25 119.5(7) .
F29 C25 F30 109.2(10) .
F29 C25 F28 111.2(10) .
F30 C25 F28 105.2(8) .
F29 C25 C24 115.2(9) .
F30 C25 C24 106.4(8) .
F28 C25 C24 109.0(8) .
F32 C26 F33 103.6(7) .
F32 C26 F31 103.0(7) .
F33 C26 F31 107.0(7) .
F32 C26 C27 112.9(7) .
F33 C26 C27 113.1(6) .
F31 C26 C27 116.2(7) .
O11 C27 C28 130.4(6) .
O11 C27 C26 113.3(6) .
C28 C27 C26 116.3(6) .
C27 C28 C29 121.1(6) .
O12 C29 C28 130.1(6) .
O12 C29 C30 115.3(6) .
C28 C29 C30 114.5(6) .
F35 C30 F36 110.8(7) .
F35 C30 F34 108.2(8) .
F36 C30 F34 107.8(7) .
F35 C30 C29 115.0(7) .
F36 C30 C29 109.1(7) .
F34 C30 C29 105.6(6) .
F37 C31 F39 109.2(7) .
F37 C31 F38 103.4(6) .
F39 C31 F38 106.9(6) .
F37 C31 C32 113.9(6) .
F39 C31 C32 111.2(6) .
F38 C31 C32 111.8(7) .
O14 C32 C33 130.0(6) .
O14 C32 C31 110.0(6) .
C33 C32 C31 119.9(6) .
C34 C33 C32 123.4(6) .
O13 C34 C33 129.9(7) .
O13 C34 C35 112.6(7) .
C33 C34 C35 117.5(7) .
F42 C35 F40 110.2(9) .
F42 C35 F41 107.0(8) .
F40 C35 F41 99.4(8) .
F42 C35 C34 118.0(8) .
F40 C35 C34 114.5(7) .
F41 C35 C34 105.7(8) .
F44 C36 F45 111.4(10) .
F44 C36 F43 112.5(10) .
F45 C36 F43 98.5(8) .
F44 C36 C37 114.3(9) .
F45 C36 C37 112.3(8) .
F43 C36 C37 106.6(8) .
O16 C37 C38 127.7(7) .
O16 C37 C36 112.8(7) .
C38 C37 C36 119.3(7) .
C37 C38 C39 120.9(6) .
O15 C39 C38 127.2(6) .
O15 C39 C40 115.1(6) .
C38 C39 C40 117.7(6) .
F47 C40 F48 106.4(7) .
F47 C40 F46 105.4(7) .
F48 C40 F46 105.0(7) .
F47 C40 C39 116.6(7) .
F48 C40 C39 111.3(6) .
F46 C40 C39 111.4(6) .
F51 C41 F50 110.0(7) .
F51 C41 F49 112.0(8) .
F50 C41 F49 104.8(6) .
F51 C41 C42 110.0(6) .
F50 C41 C42 111.3(7) .
F49 C41 C42 108.5(6) .
O18 C42 C43 125.6(6) .
O18 C42 C41 115.2(6) .
C43 C42 C41 118.9(6) .
C44 C43 C42 120.0(6) .
O17 C44 C43 129.0(7) .
O17 C44 C45 114.0(6) .
C43 C44 C45 116.9(5) .
F52 C45 F54 108.6(6) .
F53' C45 F54' 108.0(6) .
F53' C45 F52' 108.3(6) .
F54' C45 F52' 106.2(6) .
F52 C45 F53 107.8(6) .
F54 C45 F53 106.6(5) .
F52 C45 C44 106.5(5) .
F53' C45 C44 106.7(6) .
F54 C45 C44 114.5(5) .
F54' C45 C44 116.7(6) .
F52' C45 C44 110.6(6) .
F53 C45 C44 112.7(5) .
F55 C46 F57 108.4(6) .
F55 C46 F56 110.4(6) .
F57 C46 F56 105.6(6) .
F55 C46 C47 114.7(6) .
F57 C46 C47 108.9(5) .
F56 C46 C47 108.4(6) .
O19 C47 C48 124.6(8) .
O19 C47 C46 118.2(7) .
C48 C47 C46 116.9(7) .
C47 C48 C49 128.0(9) .
O20 C49 C48 122.4(7) .
O20 C49 C50 106.2(9) .
C48 C49 C50 131.3(11) .
F59 C50 F58 104.5(12) .
F59 C50 F60 121.0(11) .
F58 C50 F60 95.6(11) .
F59 C50 C49 107.5(12) .
F58 C50 C49 107.7(10) .
F60 C50 C49 118.0(11) .
O21 C51 N1 122.4(6) .
O21 C51 N4 121.0(6) .
N1 C51 N4 116.5(6) .
N3 C52 N2 126.4(6) .
N3 C52 C99 117.2(6) 1_536
N2 C52 C99 116.3(5) 1_536
C53 C54 C55 110.1(7) .
C53 C54 N1 110.4(6) .
C55 C54 N1 109.3(6) .
C58 C57 N4 107.9(7) .
C58 C57 C56 114.0(9) .
N4 C57 C56 112.3(7) .
N7 C60 C61 115.4(6) .
N7 C60 C59 105.9(6) .
C61 C60 C59 107.2(7) .
O22 C62 N7 122.7(5) .
O22 C62 N5 118.6(6) .
N7 C62 N5 118.6(6) .
C65 C64 N5 108.6(7) .
C65 C64 C63 112.6(8) .
N5 C64 C63 111.6(7) .
N6 C66 N8 127.0(6) .
N6 C66 C68 115.4(5) .
N8 C66 C68 117.6(5) .
N9 C67 C68 122.1(5) .
C67 C68 C69 121.0(5) .
C67 C68 C66 119.0(5) .
C69 C68 C66 119.9(5) .
C68 C69 C70 115.6(5) .
C71 C70 C69 119.1(6) .
C70 C71 N9 125.8(6) .
N10 C72 C73 121.8(5) .
C74 C73 C72 119.6(5) .
C73 C74 C75 118.8(5) .
C76 C75 C74 118.9(5) .
C76 C75 C77 119.0(5) .
C74 C75 C77 122.1(5) .
N10 C76 C75 123.0(5) .
N11 C77 N14 128.5(5) .
N11 C77 C75 117.7(5) .
N14 C77 C75 113.8(5) .
N13 C79 C78 109.0(6) .
N13 C79 C80 109.9(5) .
C78 C79 C80 113.5(6) .
N12 C82 C81 109.2(5) .
N12 C82 C83 111.0(5) .
C81 C82 C83 112.1(6) .
O23 C84 N13 122.6(5) .
O23 C84 N12 122.1(5) .
N13 C84 N12 115.1(5) .
O24 C85 N18 122.5(5) .
O24 C85 N15 120.8(5) .
N18 C85 N15 116.6(5) .
C86 C87 N18 110.8(6) .
C86 C87 C88 111.5(7) .
N18 C87 C88 108.6(6) .
C89 C90 N15 113.2(7) .
C89 C90 C91 112.8(8) .
N15 C90 C91 108.4(7) .
N17 C92 N16 128.0(5) .
N17 C92 C94 117.8(5) .
N16 C92 C94 114.0(5) .
N19 C93 C94 121.2(5) .
C93 C94 C95 118.8(5) .
C93 C94 C92 118.2(5) .
C95 C94 C92 123.0(5) .
C96 C95 C94 118.9(6) .
C97 C96 C95 121.0(6) .
C96 C97 N19 122.0(6) .
N20 C98 C99 122.2(5) .
C100 C99 C98 119.7(6) .
C100 C99 C52 121.6(6) 1_574
C98 C99 C52 118.7(5) 1_574
C99 C100 C101 117.0(6) .
C102 C101 C100 120.5(6) .
N20 C102 C101 122.4(6) .
C103 C104 C105 83.2(18) .
C106 C105 C104 90.4(15) .
C105 C106 C107 108.2(12) .
C106 C107 C108 121.1(10) .
C107 C108 C109 140.7(10) .
N10 Cu1 N9 177.16(18) .
N10 Cu1 O11 88.43(17) .
N9 Cu1 O11 88.75(17) .
N10 Cu1 O13 93.83(18) .
N9 Cu1 O13 89.00(18) .
O11 Cu1 O13 177.71(17) .
N10 Cu1 O14 89.74(16) .
N9 Cu1 O14 90.73(16) .
O11 Cu1 O14 92.74(16) .
O13 Cu1 O14 87.66(17) .
N10 Cu1 O12 90.00(16) .
N9 Cu1 O12 89.57(16) .
O11 Cu1 O12 88.03(16) .
O13 Cu1 O12 91.58(17) .
O14 Cu1 O12 179.18(16) .
O2 Cu2 O3 179.80(16) .
O2 Cu2 N19 90.42(18) .
O3 Cu2 N19 89.60(17) .
O2 Cu2 N20 89.43(18) .
O3 Cu2 N20 90.56(18) .
N19 Cu2 N20 178.56(18) .
O2 Cu2 O1 88.01(15) .
O3 Cu2 O1 91.79(15) .
N19 Cu2 O1 90.44(16) .
N20 Cu2 O1 90.98(16) .
O2 Cu2 O4 91.83(15) .
O3 Cu2 O4 88.37(15) .
N19 Cu2 O4 90.01(16) .
N20 Cu2 O4 88.57(17) .
O1 Cu2 O4 179.52(15) .
O22 Dy1 O18 93.33(16) .
O22 Dy1 O19 147.0(2) .
O18 Dy1 O19 76.28(15) .
O22 Dy1 O21 143.16(19) .
O18 Dy1 O21 99.07(17) .
O19 Dy1 O21 69.9(2) .
O22 Dy1 O17 76.70(17) .
O18 Dy1 O17 71.00(15) .
O19 Dy1 O17 126.52(17) .
O21 Dy1 O17 74.90(16) .
O22 Dy1 O15 93.42(15) .
O18 Dy1 O15 141.22(15) .
O19 Dy1 O15 77.43(15) .
O21 Dy1 O15 98.04(15) .
O17 Dy1 O15 147.48(15) .
O22 Dy1 O16 80.06(18) .
O18 Dy1 O16 148.29(15) .
O19 Dy1 O16 124.41(18) .
O21 Dy1 O16 71.22(18) .
O17 Dy1 O16 77.30(15) .
O15 Dy1 O16 70.45(15) .
O22 Dy1 O20 73.7(2) .
O18 Dy1 O20 72.34(17) .
O19 Dy1 O20 73.3(2) .
O21 Dy1 O20 143.2(2) .
O17 Dy1 O20 130.66(16) .
O15 Dy1 O20 73.11(15) .
O16 Dy1 O20 133.11(19) .
O6 Dy2 O23 145.72(19) .
O6 Dy2 O5 73.2(2) .
O23 Dy2 O5 72.69(18) .
O6 Dy2 O9 76.36(17) .
O23 Dy2 O9 97.77(15) .
O5 Dy2 O9 75.07(16) .
O6 Dy2 O8 125.50(17) .
O23 Dy2 O8 77.89(15) .
O5 Dy2 O8 133.24(16) .
O9 Dy2 O8 145.43(15) .
O6 Dy2 O7 77.35(16) .
O23 Dy2 O7 90.02(14) .
O5 Dy2 O7 73.48(16) .
O9 Dy2 O7 143.57(15) .
O8 Dy2 O7 71.00(14) .
O6 Dy2 O24 69.64(19) .
O23 Dy2 O24 144.63(16) .
O5 Dy2 O24 142.27(18) .
O9 Dy2 O24 90.04(14) .
O8 Dy2 O24 76.36(14) .
O7 Dy2 O24 103.90(15) .
O6 Dy2 O10 129.16(17) .
O23 Dy2 O10 77.76(15) .
O5 Dy2 O10 131.07(18) .
O9 Dy2 O10 71.31(15) .
O8 Dy2 O10 74.28(14) .
O7 Dy2 O10 144.90(14) .
O24 Dy2 O10 72.22(16) .
C51 N1 N2 123.2(6) .
C51 N1 C54 121.6(6) .
N2 N1 C54 115.3(5) .
C52 N2 N1 115.7(5) .
C52 N3 N4 113.7(6) .
C51 N4 N3 124.5(5) .
C51 N4 C57 124.9(6) .
N3 N4 C57 110.4(6) .
C62 N5 N6 119.3(6) .
C62 N5 C64 125.6(6) .
N6 N5 C64 115.1(6) .
C66 N6 N5 116.9(5) .
C62 N7 N8 123.2(5) .
C62 N7 C60 121.7(5) .
N8 N7 C60 115.0(5) .
C66 N8 N7 114.6(5) .
C71 N9 C67 116.3(5) .
C71 N9 Cu1 124.3(4) .
C67 N9 Cu1 119.4(4) .
C72 N10 C76 117.9(5) .
C72 N10 Cu1 122.9(4) .
C76 N10 Cu1 119.2(3) .
C77 N11 N12 113.8(4) .
C84 N12 N11 123.3(4) .
C84 N12 C82 120.4(5) .
N11 N12 C82 116.0(4) .
N14 N13 C84 124.3(5) .
N14 N13 C79 113.4(5) .
C84 N13 C79 122.2(5) .
C77 N14 N13 114.8(5) .
C85 N15 N16 122.8(5) .
C85 N15 C90 123.2(6) .
N16 N15 C90 113.6(5) .
C92 N16 N15 113.7(5) .
C92 N17 N18 115.0(4) .
C85 N18 N17 123.7(5) .
C85 N18 C87 121.2(5) .
N17 N18 C87 115.1(4) .
C97 N19 C93 118.2(5) .
C97 N19 Cu2 122.8(4) .
C93 N19 Cu2 119.0(4) .
C102 N20 C98 118.1(5) .
C102 N20 Cu2 121.2(4) .
C98 N20 Cu2 120.7(4) .
C2 O1 Cu2 121.4(3) .
C4 O2 Cu2 126.1(4) .
C7 O3 Cu2 125.7(4) .
C9 O4 Cu2 121.7(4) .
C14 O5 Dy2 135.9(6) .
C12 O6 Dy2 134.2(6) .
C17 O7 Dy2 135.3(4) .
C19 O8 Dy2 137.9(4) .
C22 O9 Dy2 136.6(4) .
C24 O10 Dy2 134.3(5) .
C27 O11 Cu1 125.9(4) .
C29 O12 Cu1 123.4(4) .
C34 O13 Cu1 122.8(4) .
C32 O14 Cu1 122.2(4) .
C39 O15 Dy1 138.6(4) .
C37 O16 Dy1 134.8(5) .
C44 O17 Dy1 136.9(5) .
C42 O18 Dy1 137.3(4) .
C47 O19 Dy1 141.4(6) .
C49 O20 Dy1 130.2(5) .
C51 O21 Dy1 142.0(5) .
C62 O22 Dy1 174.3(5) .
C84 O23 Dy2 159.6(4) .
C85 O24 Dy2 146.1(4) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 F2 1.279(7) .
C1 F3 1.316(8) .
C1 F1 1.337(11) .
C1 C2 1.513(8) .
C2 O1 1.228(6) .
C2 C3 1.435(8) .
C3 C4 1.363(8) .
C4 O2 1.283(7) .
C4 C5 1.519(8) .
C5 F5 1.300(8) .
C5 F4 1.302(7) .
C5 F6 1.337(7) .
C6 F7 1.284(8) .
C6 F8 1.303(8) .
C6 F9 1.319(9) .
C6 C7 1.531(9) .
C7 O3 1.241(7) .
C7 C8 1.373(9) .
C8 C9 1.385(8) .
C9 O4 1.217(7) .
C9 C10 1.571(8) .
C10 F11 1.293(9) .
C10 F10 1.293(8) .
C10 F12 1.298(10) .
C11 F13 1.237(14) .
C11 F14 1.298(12) .
C11 F15 1.354(13) .
C11 C12 1.515(9) .
C12 O6 1.217(10) .
C12 C13 1.349(13) .
C13 C14 1.357(14) .
C14 O5 1.199(11) .
C14 C15 1.522(8) .
C15 F17 1.304(18) .
C15 F18 1.324(16) .
C15 F16 1.351(17) .
C16 F20 1.257(9) .
C16 F21 1.317(9) .
C16 F19 1.368(10) .
C16 C17 1.532(10) .
C17 O7 1.265(7) .
C17 C18 1.363(9) .
C18 C19 1.369(10) .
C19 O8 1.260(7) .
C19 C20 1.515(12) .
C20 F24 1.250(10) .
C20 F22 1.308(13) .
C20 F23 1.313(11) .
C21 F26 1.313(11) .
C21 F25 1.315(10) .
C21 F27 1.322(11) .
C21 C22 1.511(10) .
C22 O9 1.252(8) .
C22 C23 1.358(10) .
C23 C24 1.366(10) .
C24 O10 1.239(9) .
C24 C25 1.606(13) .
C25 F29 1.162(12) .
C25 F30 1.340(13) .
C25 F28 1.344(12) .
C26 F32 1.292(10) .
C26 F33 1.326(10) .
C26 F31 1.326(10) .
C26 C27 1.511(10) .
C27 O11 1.232(7) .
C27 C28 1.395(9) .
C28 C29 1.421(9) .
C29 O12 1.248(7) .
C29 C30 1.575(10) .
C30 F35 1.263(10) .
C30 F36 1.318(10) .
C30 F34 1.338(11) .
C31 F37 1.288(8) .
C31 F39 1.304(10) .
C31 F38 1.334(10) .
C31 C32 1.548(9) .
C32 O14 1.244(7) .
C32 C33 1.381(9) .
C33 C34 1.364(10) .
C34 O13 1.235(9) .
C34 C35 1.523(12) .
C35 F42 1.219(11) .
C35 F40 1.264(11) .
C35 F41 1.431(12) .
C36 F44 1.262(13) .
C36 F45 1.277(12) .
C36 F43 1.308(12) .
C36 C37 1.557(13) .
C37 O16 1.281(8) .
C37 C38 1.359(10) .
C38 C39 1.363(9) .
C39 O15 1.224(7) .
C39 C40 1.533(9) .
C40 F47 1.233(9) .
C40 F48 1.277(9) .
C40 F46 1.317(10) .
C41 F51 1.259(10) .
C41 F50 1.303(9) .
C41 F49 1.341(9) .
C41 C42 1.565(10) .
C42 O18 1.292(7) .
C42 C43 1.380(9) .
C43 C44 1.366(10) .
C44 O17 1.228(7) .
C44 C45 1.588(9) .
C45 F52 1.318(7) .
C45 F53' 1.318(7) .
C45 F54 1.320(6) .
C45 F54' 1.323(7) .
C45 F52' 1.330(7) .
C45 F53 1.331(6) .
C46 F55 1.300(7) .
C46 F57 1.328(7) .
C46 F56 1.329(7) .
C46 C47 1.522(8) .
C47 O19 1.144(9) .
C47 C48 1.327(13) .
C48 C49 1.414(14) .
C49 O20 1.391(12) .
C49 C50 1.521(8) .
C50 F59 1.242(18) .
C50 F58 1.393(15) .
C50 F60 1.398(19) .
C51 O21 1.260(8) .
C51 N1 1.327(8) .
C51 N4 1.338(9) .
C52 N3 1.325(8) .
C52 N2 1.327(8) .
C52 C99 1.448(9) 1_536
C53 C54 1.461(11) .
C54 C55 1.499(12) .
C54 N1 1.507(9) .
C56 C57 1.527(13) .
C57 C58 1.425(13) .
C57 N4 1.506(9) .
C59 C60 1.580(12) .
C60 N7 1.470(7) .
C60 C61 1.489(10) .
C62 O22 1.257(8) .
C62 N7 1.314(8) .
C62 N5 1.368(8) .
C63 C64 1.589(14) .
C64 C65 1.428(11) .
C64 N5 1.523(10) .
C66 N6 1.301(8) .
C66 N8 1.313(7) .
C66 C68 1.490(8) .
C67 N9 1.369(7) .
C67 C68 1.376(8) .
C68 C69 1.380(8) .
C69 C70 1.453(9) .
C70 C71 1.322(9) .
C71 N9 1.336(7) .
C72 N10 1.330(7) .
C72 C73 1.404(8) .
C73 C74 1.358(8) .
C74 C75 1.389(7) .
C75 C76 1.367(7) .
C75 C77 1.494(7) .
C76 N10 1.355(7) .
C77 N11 1.319(7) .
C77 N14 1.330(7) .
C78 C79 1.490(9) .
C79 N13 1.486(8) .
C79 C80 1.586(11) .
C81 C82 1.463(10) .
C82 N12 1.461(7) .
C82 C83 1.465(10) .
C84 O23 1.233(7) .
C84 N13 1.372(8) .
C84 N12 1.376(7) .
C85 O24 1.227(7) .
C85 N18 1.336(7) .
C85 N15 1.377(8) .
C86 C87 1.475(11) .
C87 N18 1.485(8) .
C87 C88 1.527(11) .
C89 C90 1.402(13) .
C90 N15 1.444(9) .
C90 C91 1.565(13) .
C92 N17 1.326(7) .
C92 N16 1.329(7) .
C92 C94 1.472(8) .
C93 N19 1.368(7) .
C93 C94 1.373(8) .
C94 C95 1.389(8) .
C95 C96 1.354(9) .
C96 C97 1.339(9) .
C97 N19 1.348(7) .
C98 N20 1.350(7) .
C98 C99 1.386(9) .
C99 C100 1.357(9) .
C99 C52 1.449(9) 1_574
C100 C101 1.409(10) .
C101 C102 1.352(9) .
C102 N20 1.321(7) .
C103 C104 1.56(3) .
C104 C105 1.67(3) .
C105 C106 1.40(2) .
C106 C107 1.525(9) .
C107 C108 1.527(10) .
C108 C109 1.539(9) .
Cu1 N10 1.999(4) .
Cu1 N9 2.009(4) .
Cu1 O11 2.078(4) .
Cu1 O13 2.098(5) .
Cu1 O14 2.122(4) .
Cu1 O12 2.126(4) .
Cu2 O2 1.985(4) .
Cu2 O3 1.992(4) .
Cu2 N19 2.003(5) .
Cu2 N20 2.018(5) .
Cu2 O1 2.231(3) .
Cu2 O4 2.242(4) .
Dy1 O22 2.290(5) .
Dy1 O18 2.318(4) .
Dy1 O19 2.328(4) .
Dy1 O21 2.330(4) .
Dy1 O17 2.333(4) .
Dy1 O15 2.342(3) .
Dy1 O16 2.366(5) .
Dy1 O20 2.372(5) .
Dy2 O6 2.304(5) .
Dy2 O23 2.319(4) .
Dy2 O5 2.320(5) .
Dy2 O9 2.323(4) .
Dy2 O8 2.332(4) .
Dy2 O7 2.368(4) .
Dy2 O24 2.374(4) .
Dy2 O10 2.383(4) .
N1 N2 1.397(8) .
N3 N4 1.407(8) .
N5 N6 1.379(8) .
N7 N8 1.376(6) .
N11 N12 1.392(6) .
N13 N14 1.352(7) .
N15 N16 1.385(7) .
N17 N18 1.365(7) .
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_4
F2 C1 C2 O1 51.1(9) . .
F3 C1 C2 O1 176.4(6) . .
F1 C1 C2 O1 -63.7(7) . .
F2 C1 C2 C3 -130.5(7) . .
F3 C1 C2 C3 -5.2(9) . .
F1 C1 C2 C3 114.7(7) . .
O1 C2 C3 C4 -0.2(10) . .
C1 C2 C3 C4 -178.4(6) . .
C2 C3 C4 O2 -0.1(10) . .
C2 C3 C4 C5 179.2(5) . .
O2 C4 C5 F5 -68.7(7) . .
C3 C4 C5 F5 111.9(6) . .
O2 C4 C5 F4 52.7(7) . .
C3 C4 C5 F4 -126.7(6) . .
O2 C4 C5 F6 171.8(5) . .
C3 C4 C5 F6 -7.6(8) . .
F7 C6 C7 O3 -173.5(6) . .
F8 C6 C7 O3 -51.2(8) . .
F9 C6 C7 O3 66.2(7) . .
F7 C6 C7 C8 8.0(9) . .
F8 C6 C7 C8 130.3(6) . .
F9 C6 C7 C8 -112.2(7) . .
O3 C7 C8 C9 4.1(11) . .
C6 C7 C8 C9 -177.8(6) . .
C7 C8 C9 O4 0.4(11) . .
C7 C8 C9 C10 178.8(6) . .
O4 C9 C10 F11 -67.0(8) . .
C8 C9 C10 F11 114.4(7) . .
O4 C9 C10 F10 167.3(6) . .
C8 C9 C10 F10 -11.3(9) . .
O4 C9 C10 F12 49.4(8) . .
C8 C9 C10 F12 -129.2(6) . .
F13 C11 C12 O6 170.6(9) . .
F14 C11 C12 O6 -65.6(12) . .
F15 C11 C12 O6 40.3(11) . .
F13 C11 C12 C13 -13.0(13) . .
F14 C11 C12 C13 110.9(11) . .
F15 C11 C12 C13 -143.3(9) . .
O6 C12 C13 C14 3.0(15) . .
C11 C12 C13 C14 -173.0(9) . .
C12 C13 C14 O5 -5.4(17) . .
C12 C13 C14 C15 175.8(10) . .
O5 C14 C15 F17 61.1(15) . .
C13 C14 C15 F17 -120.0(13) . .
O5 C14 C15 F18 -55.9(15) . .
C13 C14 C15 F18 123.1(13) . .
O5 C14 C15 F16 -170.8(11) . .
C13 C14 C15 F16 8.1(17) . .
F20 C16 C17 O7 166.5(7) . .
F21 C16 C17 O7 41.8(9) . .
F19 C16 C17 O7 -71.6(8) . .
F20 C16 C17 C18 -14.1(11) . .
F21 C16 C17 C18 -138.8(7) . .
F19 C16 C17 C18 107.8(8) . .
O7 C17 C18 C19 -0.3(11) . .
C16 C17 C18 C19 -179.6(7) . .
C17 C18 C19 O8 0.9(12) . .
C17 C18 C19 C20 -179.9(7) . .
O8 C19 C20 F24 -163.4(8) . .
C18 C19 C20 F24 17.3(12) . .
O8 C19 C20 F22 71.1(9) . .
C18 C19 C20 F22 -108.2(9) . .
O8 C19 C20 F23 -44.2(12) . .
C18 C19 C20 F23 136.5(9) . .
F26 C21 C22 O9 164.8(7) . .
F25 C21 C22 O9 46.1(10) . .
F27 C21 C22 O9 -70.8(9) . .
F26 C21 C22 C23 -12.0(11) . .
F25 C21 C22 C23 -130.7(8) . .
F27 C21 C22 C23 112.4(8) . .
O9 C22 C23 C24 1.6(12) . .
C21 C22 C23 C24 178.0(7) . .
C22 C23 C24 O10 -4.0(13) . .
C22 C23 C24 C25 178.7(7) . .
O10 C24 C25 F29 -12.3(13) . .
C23 C24 C25 F29 165.4(9) . .
O10 C24 C25 F30 108.8(9) . .
C23 C24 C25 F30 -73.4(11) . .
O10 C24 C25 F28 -138.1(8) . .
C23 C24 C25 F28 39.6(11) . .
F32 C26 C27 O11 -54.2(9) . .
F33 C26 C27 O11 63.0(9) . .
F31 C26 C27 O11 -172.8(7) . .
F32 C26 C27 C28 125.1(7) . .
F33 C26 C27 C28 -117.7(8) . .
F31 C26 C27 C28 6.5(10) . .
O11 C27 C28 C29 -1.2(12) . .
C26 C27 C28 C29 179.6(6) . .
C27 C28 C29 O12 -3.2(12) . .
C27 C28 C29 C30 174.8(6) . .
O12 C29 C30 F35 -164.2(7) . .
C28 C29 C30 F35 17.4(10) . .
O12 C29 C30 F36 -39.0(9) . .
C28 C29 C30 F36 142.6(7) . .
O12 C29 C30 F34 76.6(8) . .
C28 C29 C30 F34 -101.7(8) . .
F37 C31 C32 O14 56.8(9) . .
F39 C31 C32 O14 -67.1(8) . .
F38 C31 C32 O14 173.6(6) . .
F37 C31 C32 C33 -127.1(7) . .
F39 C31 C32 C33 109.0(8) . .
F38 C31 C32 C33 -10.4(9) . .
O14 C32 C33 C34 6.8(11) . .
C31 C32 C33 C34 -168.3(6) . .
C32 C33 C34 O13 -0.6(12) . .
C32 C33 C34 C35 179.0(7) . .
O13 C34 C35 F42 177.4(8) . .
C33 C34 C35 F42 -2.3(12) . .
O13 C34 C35 F40 -50.5(11) . .
C33 C34 C35 F40 129.8(8) . .
O13 C34 C35 F41 57.8(9) . .
C33 C34 C35 F41 -121.9(7) . .
F44 C36 C37 O16 -81.7(11) . .
F45 C36 C37 O16 46.5(11) . .
F43 C36 C37 O16 153.4(8) . .
F44 C36 C37 C38 94.2(11) . .
F45 C36 C37 C38 -137.6(9) . .
F43 C36 C37 C38 -30.7(12) . .
O16 C37 C38 C39 2.0(13) . .
C36 C37 C38 C39 -173.2(7) . .
C37 C38 C39 O15 2.9(12) . .
C37 C38 C39 C40 179.1(7) . .
O15 C39 C40 F47 178.2(7) . .
C38 C39 C40 F47 1.5(11) . .
O15 C39 C40 F48 -59.6(9) . .
C38 C39 C40 F48 123.7(8) . .
O15 C39 C40 F46 57.2(8) . .
C38 C39 C40 F46 -119.5(7) . .
F51 C41 C42 O18 81.4(8) . .
F50 C41 C42 O18 -156.4(6) . .
F49 C41 C42 O18 -41.6(9) . .
F51 C41 C42 C43 -93.0(8) . .
F50 C41 C42 C43 29.3(9) . .
F49 C41 C42 C43 144.1(7) . .
O18 C42 C43 C44 3.6(11) . .
C41 C42 C43 C44 177.3(7) . .
C42 C43 C44 O17 -0.5(13) . .
C42 C43 C44 C45 179.2(6) . .
O17 C44 C45 F52 92.1(7) . .
C43 C44 C45 F52 -87.7(8) . .
O17 C44 C45 F53' -88.9(8) . .
C43 C44 C45 F53' 91.3(8) . .
O17 C44 C45 F54 -28.0(9) . .
C43 C44 C45 F54 152.3(7) . .
O17 C44 C45 F54' 32.0(9) . .
C43 C44 C45 F54' -147.8(7) . .
O17 C44 C45 F52' 153.5(7) . .
C43 C44 C45 F52' -26.2(9) . .
O17 C44 C45 F53 -149.9(6) . .
C43 C44 C45 F53 30.3(9) . .
F55 C46 C47 O19 -175.4(7) . .
F57 C46 C47 O19 62.9(9) . .
F56 C46 C47 O19 -51.5(9) . .
F55 C46 C47 C48 11.0(10) . .
F57 C46 C47 C48 -110.6(8) . .
F56 C46 C47 C48 134.9(8) . .
O19 C47 C48 C49 1.5(16) . .
C46 C47 C48 C49 174.6(9) . .
C47 C48 C49 O20 2.1(16) . .
C47 C48 C49 C50 -174.2(11) . .
O20 C49 C50 F59 -178.1(11) . .
C48 C49 C50 F59 -1.4(19) . .
O20 C49 C50 F58 69.7(13) . .
C48 C49 C50 F58 -113.6(14) . .
O20 C49 C50 F60 -36.9(15) . .
C48 C49 C50 F60 139.8(13) . .
N9 C67 C68 C69 -0.6(9) . .
N9 C67 C68 C66 -177.0(5) . .
N6 C66 C68 C67 -2.9(9) . .
N8 C66 C68 C67 178.1(5) . .
N6 C66 C68 C69 -179.4(6) . .
N8 C66 C68 C69 1.7(9) . .
C67 C68 C69 C70 0.5(9) . .
C66 C68 C69 C70 176.8(6) . .
C68 C69 C70 C71 0.8(10) . .
C69 C70 C71 N9 -2.1(11) . .
N10 C72 C73 C74 1.3(9) . .
C72 C73 C74 C75 -0.1(9) . .
C73 C74 C75 C76 0.0(8) . .
C73 C74 C75 C77 -179.6(5) . .
C74 C75 C76 N10 -1.0(8) . .
C77 C75 C76 N10 178.6(5) . .
C76 C75 C77 N11 173.0(5) . .
C74 C75 C77 N11 -7.4(8) . .
C76 C75 C77 N14 -5.4(8) . .
C74 C75 C77 N14 174.2(5) . .
N19 C93 C94 C95 1.1(8) . .
N19 C93 C94 C92 -178.0(5) . .
N17 C92 C94 C93 -177.1(5) . .
N16 C92 C94 C93 6.7(8) . .
N17 C92 C94 C95 3.9(8) . .
N16 C92 C94 C95 -172.2(5) . .
C93 C94 C95 C96 -1.6(9) . .
C92 C94 C95 C96 177.4(6) . .
C94 C95 C96 C97 1.5(10) . .
C95 C96 C97 N19 -0.8(11) . .
N20 C98 C99 C100 -1.0(9) . .
N20 C98 C99 C52 177.2(6) . 1_574
C98 C99 C100 C101 -0.9(10) . .
C52 C99 C100 C101 -179.0(6) 1_574 .
C99 C100 C101 C102 1.2(10) . .
C100 C101 C102 N20 0.5(10) . .
C103 C104 C105 C106 -173.2(15) . .
C104 C105 C106 C107 179.0(16) . .
C105 C106 C107 C108 -174.4(12) . .
C106 C107 C108 C109 175.3(16) . .
O21 C51 N1 N2 -178.2(6) . .
N4 C51 N1 N2 -1.6(10) . .
O21 C51 N1 C54 0.6(10) . .
N4 C51 N1 C54 177.3(6) . .
C53 C54 N1 C51 122.7(8) . .
C55 C54 N1 C51 -116.0(8) . .
C53 C54 N1 N2 -58.3(8) . .
C55 C54 N1 N2 62.9(8) . .
N3 C52 N2 N1 0.6(10) . .
C99 C52 N2 N1 177.8(5) 1_536 .
C51 N1 N2 C52 0.4(9) . .
C54 N1 N2 C52 -178.5(5) . .
N2 C52 N3 N4 -0.5(10) . .
C99 C52 N3 N4 -177.6(6) 1_536 .
O21 C51 N4 N3 178.5(6) . .
N1 C51 N4 N3 1.8(10) . .
O21 C51 N4 C57 -6.4(11) . .
N1 C51 N4 C57 176.9(7) . .
C52 N3 N4 C51 -0.8(10) . .
C52 N3 N4 C57 -176.6(6) . .
C58 C57 N4 C51 118.6(9) . .
C56 C57 N4 C51 -115.0(9) . .
C58 C57 N4 N3 -65.7(10) . .
C56 C57 N4 N3 60.7(8) . .
O22 C62 N5 N6 -175.4(6) . .
N7 C62 N5 N6 7.4(10) . .
O22 C62 N5 C64 5.6(11) . .
N7 C62 N5 C64 -171.6(7) . .
C65 C64 N5 C62 -123.4(8) . .
C63 C64 N5 C62 111.8(9) . .
C65 C64 N5 N6 57.5(9) . .
C63 C64 N5 N6 -67.2(9) . .
N8 C66 N6 N5 4.2(11) . .
C68 C66 N6 N5 -174.6(6) . .
C62 N5 N6 C66 -7.8(10) . .
C64 N5 N6 C66 171.3(6) . .
O22 C62 N7 N8 179.8(6) . .
N5 C62 N7 N8 -3.2(10) . .
O22 C62 N7 C60 3.1(10) . .
N5 C62 N7 C60 -179.8(6) . .
C61 C60 N7 C62 -144.4(7) . .
C59 C60 N7 C62 97.2(8) . .
C61 C60 N7 N8 38.7(9) . .
C59 C60 N7 N8 -79.7(7) . .
N6 C66 N8 N7 0.1(9) . .
C68 C66 N8 N7 178.8(5) . .
C62 N7 N8 C66 -0.7(8) . .
C60 N7 N8 C66 176.2(5) . .
C70 C71 N9 C67 1.9(9) . .
C70 C71 N9 Cu1 179.3(5) . .
C68 C67 N9 C71 -0.5(8) . .
C68 C67 N9 Cu1 -178.0(4) . .
C73 C72 N10 C76 -2.3(8) . .
C73 C72 N10 Cu1 175.3(4) . .
C75 C76 N10 C72 2.2(8) . .
C75 C76 N10 Cu1 -175.5(4) . .
N14 C77 N11 N12 -3.6(8) . .
C75 C77 N11 N12 178.3(4) . .
O23 C84 N12 N11 172.0(5) . .
N13 C84 N12 N11 -4.3(8) . .
O23 C84 N12 C82 -1.9(9) . .
N13 C84 N12 C82 -178.2(5) . .
C77 N11 N12 C84 5.6(7) . .
C77 N11 N12 C82 179.8(5) . .
C81 C82 N12 C84 -140.9(6) . .
C83 C82 N12 C84 95.1(7) . .
C81 C82 N12 N11 44.7(7) . .
C83 C82 N12 N11 -79.2(7) . .
O23 C84 N13 N14 -175.7(6) . .
N12 C84 N13 N14 0.5(9) . .
O23 C84 N13 C79 0.1(10) . .
N12 C84 N13 C79 176.3(5) . .
C78 C79 N13 N14 -59.5(7) . .
C80 C79 N13 N14 65.5(7) . .
C78 C79 N13 C84 124.2(7) . .
C80 C79 N13 C84 -110.7(7) . .
N11 C77 N14 N13 0.2(9) . .
C75 C77 N14 N13 178.4(5) . .
C84 N13 N14 C77 1.5(8) . .
C79 N13 N14 C77 -174.7(5) . .
O24 C85 N15 N16 -173.6(5) . .
N18 C85 N15 N16 3.4(8) . .
O24 C85 N15 C90 -1.3(10) . .
N18 C85 N15 C90 175.7(6) . .
C89 C90 N15 C85 133.9(8) . .
C91 C90 N15 C85 -100.1(8) . .
C89 C90 N15 N16 -53.1(9) . .
C91 C90 N15 N16 72.8(9) . .
N17 C92 N16 N15 2.3(9) . .
C94 C92 N16 N15 178.0(5) . .
C85 N15 N16 C92 -3.9(8) . .
C90 N15 N16 C92 -176.8(6) . .
N16 C92 N17 N18 -0.3(9) . .
C94 C92 N17 N18 -175.8(5) . .
O24 C85 N18 N17 175.8(5) . .
N15 C85 N18 N17 -1.2(8) . .
O24 C85 N18 C87 -5.2(9) . .
N15 C85 N18 C87 177.8(5) . .
C92 N17 N18 C85 -0.4(8) . .
C92 N17 N18 C87 -179.4(5) . .
C86 C87 N18 C85 -125.7(7) . .
C88 C87 N18 C85 111.4(7) . .
C86 C87 N18 N17 53.4(8) . .
C88 C87 N18 N17 -69.5(7) . .
C96 C97 N19 C93 0.1(9) . .
C96 C97 N19 Cu2 -176.8(5) . .
C94 C93 N19 C97 -0.3(8) . .
C94 C93 N19 Cu2 176.8(4) . .
C101 C102 N20 C98 -2.4(9) . .
C101 C102 N20 Cu2 176.0(5) . .
C99 C98 N20 C102 2.7(9) . .
C99 C98 N20 Cu2 -175.7(4) . .
C3 C2 O1 Cu2 -11.1(8) . .
C1 C2 O1 Cu2 167.1(4) . .
C3 C4 O2 Cu2 13.7(9) . .
C5 C4 O2 Cu2 -165.6(4) . .
C8 C7 O3 Cu2 -8.3(9) . .
C6 C7 O3 Cu2 173.6(4) . .
C8 C9 O4 Cu2 0.2(8) . .
C10 C9 O4 Cu2 -178.3(4) . .
C13 C14 O5 Dy2 8.9(16) . .
C15 C14 O5 Dy2 -172.2(7) . .
C13 C12 O6 Dy2 -3.9(13) . .
C11 C12 O6 Dy2 172.2(5) . .
C18 C17 O7 Dy2 -2.7(10) . .
C16 C17 O7 Dy2 176.6(4) . .
C18 C19 O8 Dy2 1.7(12) . .
C20 C19 O8 Dy2 -177.5(5) . .
C23 C22 O9 Dy2 -7.8(11) . .
C21 C22 O9 Dy2 175.7(5) . .
C23 C24 O10 Dy2 12.0(13) . .
C25 C24 O10 Dy2 -170.5(5) . .
C28 C27 O11 Cu1 -3.1(10) . .
C26 C27 O11 Cu1 176.1(4) . .
C28 C29 O12 Cu1 10.4(10) . .
C30 C29 O12 Cu1 -167.6(5) . .
C33 C34 O13 Cu1 -16.9(10) . .
C35 C34 O13 Cu1 163.5(5) . .
C33 C32 O14 Cu1 6.2(9) . .
C31 C32 O14 Cu1 -178.3(4) . .
C38 C39 O15 Dy1 -2.1(10) . .
C40 C39 O15 Dy1 -178.4(4) . .
C38 C37 O16 Dy1 -7.8(13) . .
C36 C37 O16 Dy1 167.7(5) . .
C43 C44 O17 Dy1 -3.6(13) . .
C45 C44 O17 Dy1 176.7(4) . .
C43 C42 O18 Dy1 -2.9(11) . .
C41 C42 O18 Dy1 -176.9(4) . .
C48 C47 O19 Dy1 -2.7(14) . .
C46 C47 O19 Dy1 -175.7(4) . .
C48 C49 O20 Dy1 -4.6(13) . .
C50 C49 O20 Dy1 172.5(7) . .
N1 C51 O21 Dy1 -97.5(8) . .
N4 C51 O21 Dy1 86.0(9) . .
N13 C84 O23 Dy2 -72.0(14) . .
N12 C84 O23 Dy2 112.0(11) . .
N18 C85 O24 Dy2 115.2(7) . .
N15 C85 O24 Dy2 -68.0(9) . .
