#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/49/7034945.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_7034945
loop_
_publ_author_name
'Zhu, Mei'
'Wang, Juanjuan'
'Yang, Meng'
'Ma, Yue'
'Li, Licun'
_publ_section_title
;
 Slow magnetic relaxation in two-dimensional 3d-4f complexes based on
 phenyl pyrimidyl substituted nitronyl nitroxide radicals.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9815
_journal_page_last               9822
_journal_paper_doi               10.1039/c4dt03330b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C79 H47 Cu3 F54 N8 O22 Yb'
_chemical_formula_weight         2849.94
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-01-27 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 114.11(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.504(3)
_cell_length_b                   18.636(4)
_cell_length_c                   37.360(10)
_cell_measurement_reflns_used    16675
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8984
_cell_measurement_theta_min      1.7689
_cell_volume                     10488(5)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1199
_diffrn_reflns_av_unetI/netI     0.1498
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            73012
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.74
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.649
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7203
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADBAS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.805
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             5583
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.686
_refine_diff_density_min         -2.405
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1522
_refine_ls_number_reflns         18372
_refine_ls_number_restraints     76
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.1321
_refine_ls_R_factor_gt           0.0826
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1047P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1888
_refine_ls_wR_factor_ref         0.2235
_reflns_number_gt                11982
_reflns_number_total             18421
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03330b2.cif
_cod_data_source_block           Yb
_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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7034945--7034947.cif.
;
_cod_original_cell_volume        10488(4)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7034945
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.41673(2) 0.70525(2) 0.400516(9) 0.02769(14) Uani 1 1 d . . .
Cu1 Cu -0.34095(7) 0.72307(6) 0.23392(3) 0.0348(3) Uani 1 1 d . . .
Cu2 Cu 0.16428(7) 0.75231(6) 0.06134(3) 0.0296(3) Uani 1 1 d . . .
Cu3 Cu -0.09811(7) 0.70265(6) 0.13956(3) 0.0339(3) Uani 1 1 d . . .
F1 F 0.6672(3) 0.5386(3) 0.47131(15) 0.0609(16) Uani 1 1 d . . .
F2 F 0.6041(4) 0.5541(4) 0.50996(14) 0.073(2) Uani 1 1 d . . .
F3 F 0.5925(4) 0.4553(4) 0.4811(2) 0.106(3) Uani 1 1 d . . .
F4 F 0.3597(4) 0.4107(3) 0.35658(16) 0.0680(18) Uani 1 1 d . . .
F5 F 0.2597(4) 0.4611(4) 0.37069(17) 0.078(2) Uani 1 1 d . . .
F6 F 0.2790(4) 0.4951(3) 0.32066(15) 0.0655(17) Uani 1 1 d . . .
F7 F 0.6693(4) 0.8097(4) 0.50938(19) 0.084(2) Uani 1 1 d . A .
F8 F 0.6550(5) 0.8815(6) 0.4657(2) 0.146(4) Uani 1 1 d . A .
F9A F 0.6141(9) 0.8952(9) 0.5208(5) 0.091(4) Uani 0.561(15) 1 d PU A 1
F9B F 0.6188(13) 0.9273(13) 0.4982(7) 0.091(4) Uani 0.439(15) 1 d PU A 2
F10 F 0.2284(4) 0.9076(3) 0.39667(16) 0.075(2) Uani 1 1 d . A .
F11 F 0.3153(4) 0.9690(4) 0.4447(2) 0.100(3) Uani 1 1 d . A .
F12 F 0.2499(4) 0.8779(3) 0.45475(15) 0.0614(16) Uani 1 1 d . A .
F13 F 0.5126(4) 0.9399(3) 0.38193(15) 0.0720(19) Uani 1 1 d . . .
F14 F 0.4958(4) 0.9098(3) 0.32449(15) 0.0631(16) Uani 1 1 d . . .
F15 F 0.4001(4) 0.9783(3) 0.33363(18) 0.0759(19) Uani 1 1 d . . .
F16 F 0.1464(4) 0.8263(4) 0.26885(18) 0.099(3) Uani 1 1 d . . .
F17 F 0.1391(4) 0.7204(4) 0.28553(17) 0.0725(19) Uani 1 1 d . . .
F18 F 0.1231(4) 0.8051(4) 0.32013(18) 0.087(2) Uani 1 1 d . . .
F19 F -0.0629(4) 0.7857(5) 0.31857(18) 0.110(3) Uani 1 1 d . . .
F20 F -0.0555(4) 0.7903(4) 0.26330(19) 0.084(2) Uani 1 1 d . . .
F21 F -0.0619(4) 0.8856(4) 0.2917(2) 0.099(2) Uani 1 1 d . . .
F22 F -0.4401(4) 0.9605(3) 0.1987(2) 0.085(2) Uani 1 1 d . . .
F23 F -0.4340(6) 0.9378(4) 0.2558(3) 0.131(3) Uani 1 1 d . . .
F24 F -0.3353(4) 1.0020(3) 0.24914(18) 0.0742(19) Uani 1 1 d . . .
F25 F -0.5840(4) 0.5496(4) 0.1610(2) 0.131(4) Uani 1 1 d . . .
F26 F -0.6076(4) 0.6574(4) 0.1490(2) 0.103(3) Uani 1 1 d . . .
F27 F -0.6360(4) 0.6112(5) 0.1928(2) 0.104(3) Uani 1 1 d . . .
F28 F -0.2593(7) 0.4786(5) 0.2607(2) 0.138(4) Uani 1 1 d . . .
F29 F -0.2410(5) 0.5268(4) 0.31323(18) 0.108(3) Uani 1 1 d . . .
F30A F -0.3542(8) 0.4698(7) 0.2912(5) 0.093(4) Uani 0.669(18) 1 d PU B 1
F30B F -0.3437(17) 0.4531(16) 0.2682(10) 0.093(4) Uani 0.331(18) 1 d PU B 2
F31 F -0.0896(6) 0.9149(4) 0.20437(19) 0.110(3) Uani 1 1 d . . .
F32 F -0.0534(5) 0.9794(3) 0.16555(17) 0.090(2) Uani 1 1 d . . .
F33 F 0.0399(5) 0.9060(4) 0.2032(2) 0.123(4) Uani 1 1 d . . .
F34 F -0.2548(4) 0.8233(4) 0.02334(15) 0.076(2) Uani 1 1 d . . .
F35 F -0.1596(4) 0.9069(3) 0.03506(14) 0.0634(17) Uani 1 1 d . . .
F36 F -0.1317(5) 0.8006(3) 0.02198(15) 0.083(2) Uani 1 1 d . . .
F37A F -0.0113(13) 0.6135(9) 0.2607(4) 0.124(3) Uani 0.606(15) 1 d PDU C 1
F37B F -0.0652(14) 0.5834(15) 0.2482(6) 0.124(3) Uani 0.394(15) 1 d PDU C 2
F38A F 0.0664(13) 0.5296(14) 0.2470(7) 0.124(3) Uani 0.394(15) 1 d PDU C 1
F38B F 0.0804(10) 0.5680(10) 0.2522(4) 0.124(3) Uani 0.606(15) 1 d PDU C 2
F39A F -0.0398(16) 0.5072(13) 0.2404(4) 0.124(3) Uani 0.606(15) 1 d PU C 1
F39B F -0.056(2) 0.4888(18) 0.2290(7) 0.124(3) Uani 0.394(15) 1 d PU C 2
F40 F -0.1167(5) 0.4989(4) 0.0653(2) 0.093(2) Uani 1 1 d . C .
F41 F -0.0265(7) 0.4396(4) 0.1126(2) 0.129(3) Uani 1 1 d . C .
F42 F 0.0190(5) 0.5293(4) 0.0898(2) 0.113(3) Uani 1 1 d . C .
F43 F 0.4246(4) 0.8406(4) 0.15438(16) 0.077(2) Uani 1 1 d . . .
F44 F 0.4103(3) 0.9455(3) 0.12914(16) 0.0603(16) Uani 1 1 d . . .
F45 F 0.4419(3) 0.8557(3) 0.10185(17) 0.0664(17) Uani 1 1 d . . .
F46A F 0.109(2) 1.003(2) 0.0959(9) 0.122(5) Uani 0.37(2) 1 d PU D 1
F46B F 0.0593(14) 0.9688(11) 0.0957(5) 0.122(5) Uani 0.63(2) 1 d PU D 2
F47 F 0.0086(5) 0.9602(4) 0.0385(3) 0.138(4) Uani 1 1 d . . .
F48 F 0.1153(5) 1.0280(4) 0.0562(3) 0.143(4) Uani 1 1 d . . .
F49 F 0.2495(4) 0.5056(3) 0.08515(17) 0.0691(18) Uani 1 1 d . . .
F50 F 0.2179(4) 0.4933(3) 0.02405(18) 0.0694(18) Uani 1 1 d . . .
F51 F 0.3269(3) 0.5583(3) 0.05936(17) 0.0615(16) Uani 1 1 d . . .
F52 F -0.0686(4) 0.5813(3) -0.03716(16) 0.0685(18) Uani 1 1 d . . .
F53 F -0.0798(4) 0.6961(4) -0.04428(18) 0.086(2) Uani 1 1 d . . .
F54 F -0.1124(4) 0.6441(4) -0.00093(19) 0.075(2) Uani 1 1 d . . .
O1 O 0.6314(4) 0.7701(4) 0.29227(15) 0.0472(17) Uani 1 1 d . . .
O2 O 0.5074(4) 0.6692(3) 0.37110(14) 0.0345(14) Uani 1 1 d . . .
O3 O 0.5098(3) 0.6228(3) 0.44230(14) 0.0303(13) Uani 1 1 d . . .
O4 O 0.3658(3) 0.5946(3) 0.37076(14) 0.0298(13) Uani 1 1 d . . .
O5 O 0.2948(3) 0.7305(3) 0.34590(14) 0.0335(14) Uani 1 1 d . . .
O6 O 0.4511(4) 0.8062(3) 0.37348(15) 0.0354(14) Uani 1 1 d . . .
O7 O 0.3414(4) 0.7961(3) 0.41737(15) 0.0371(15) Uani 1 1 d . . .
O8 O 0.5228(4) 0.7687(3) 0.45041(14) 0.0358(14) Uani 1 1 d . . .
O9 O 0.2806(4) 0.7950(3) 0.08756(15) 0.0322(14) Uani 1 1 d . . .
O10 O 0.1073(4) 0.8466(3) 0.05327(15) 0.0380(14) Uani 1 1 d . D .
O11 O 0.0497(4) 0.7144(3) 0.02851(14) 0.0307(13) Uani 1 1 d . . .
O12 O 0.2201(4) 0.6586(3) 0.06659(14) 0.0315(13) Uani 1 1 d . . .
O13 O -0.0601(4) 0.6516(4) 0.18878(16) 0.0443(16) Uani 1 1 d . . .
O14 O -0.0964(4) 0.6155(3) 0.11037(15) 0.0414(15) Uani 1 1 d . . .
O15 O -0.0758(4) 0.7946(3) 0.16703(15) 0.0384(15) Uani 1 1 d . . .
O16 O -0.1400(4) 0.7505(3) 0.08871(14) 0.0386(15) Uani 1 1 d . . .
O17 O -0.3022(4) 0.6314(3) 0.26066(15) 0.0412(15) Uani 1 1 d . B .
O18 O -0.4619(4) 0.6885(3) 0.20675(15) 0.0371(15) Uani 1 1 d . B .
O19 O -0.2196(4) 0.7520(4) 0.25772(14) 0.0403(15) Uani 1 1 d . . .
O20 O -0.3824(4) 0.8227(3) 0.22278(15) 0.0356(14) Uani 1 1 d . . .
O21 O -0.6627(3) 0.8490(3) -0.06868(13) 0.0288(13) Uani 1 1 d . . .
O22 O -0.8150(4) 0.7516(4) -0.00027(15) 0.0417(16) Uani 1 1 d . . .
N1 N 0.6212(4) 0.7455(4) 0.32227(16) 0.0317(17) Uani 1 1 d . . .
N2 N 0.5636(4) 0.6982(3) 0.35894(18) 0.0274(16) Uani 1 1 d . . .
N3 N 0.1508(4) 0.7394(4) 0.11902(16) 0.0324(17) Uani 1 1 d . . .
N4 N 0.0584(4) 0.7141(4) 0.15208(19) 0.0343(18) Uani 1 1 d . . .
N5 N -0.2394(5) 0.7023(4) 0.13797(19) 0.0405(19) Uani 1 1 d . . .
N6 N -0.3286(5) 0.7093(4) 0.17444(18) 0.0368(18) Uani 1 1 d . . .
N7 N -0.7252(4) 0.8301(4) -0.05793(17) 0.0291(16) Uani 1 1 d . . .
N8 N -0.7967(4) 0.7849(4) -0.02558(18) 0.0310(17) Uani 1 1 d . . .
C1 C 0.5950(6) 0.5250(5) 0.4764(2) 0.039(2) Uani 1 1 d . . .
C2 C 0.5132(6) 0.5555(5) 0.4425(2) 0.033(2) Uani 1 1 d . . .
C3 C 0.4573(5) 0.5076(5) 0.4156(2) 0.037(2) Uani 1 1 d . . .
H3 H 0.4674 0.4586 0.4199 0.044 Uiso 1 1 calc R . .
C4 C 0.3857(5) 0.5310(5) 0.3818(2) 0.0301(19) Uani 1 1 d . . .
C5 C 0.3205(6) 0.4743(5) 0.3566(3) 0.043(2) Uani 1 1 d . . .
C6 C 0.6161(8) 0.8597(7) 0.4880(3) 0.067(3) Uani 1 1 d . . .
C7 C 0.5240(6) 0.8303(5) 0.4637(2) 0.043(2) Uani 1 1 d . A .
C8 C 0.4531(6) 0.8758(5) 0.4580(3) 0.048(2) Uani 1 1 d . . .
H8 H 0.4637 0.9213 0.4693 0.057 Uiso 1 1 calc R A .
C9 C 0.3668(7) 0.8542(5) 0.4356(2) 0.044(2) Uani 1 1 d . A .
C10 C 0.2905(7) 0.9036(5) 0.4330(3) 0.047(3) Uani 1 1 d . . .
C11 C 0.4524(6) 0.9214(5) 0.3476(3) 0.043(2) Uani 1 1 d . . .
C12 C 0.4043(6) 0.8528(5) 0.3505(2) 0.039(2) Uani 1 1 d . . .
C13 C 0.3151(6) 0.8477(5) 0.3266(2) 0.046(2) Uani 1 1 d . . .
H13 H 0.2869 0.8862 0.3105 0.055 Uiso 1 1 calc R . .
C14 C 0.2664(6) 0.7866(5) 0.3258(2) 0.040(2) Uani 1 1 d . . .
C15 C 0.1685(7) 0.7862(7) 0.2998(3) 0.055(3) Uani 1 1 d . . .
C16 C 0.6836(6) 0.6149(5) 0.3792(3) 0.055(3) Uani 1 1 d . . .
H16A H 0.6562 0.5848 0.3920 0.082 Uiso 1 1 calc R . .
H16B H 0.7468 0.6087 0.3915 0.082 Uiso 1 1 calc R . .
H16C H 0.6622 0.6018 0.3520 0.082 Uiso 1 1 calc R . .
C17 C 0.6827(6) 0.7102(6) 0.4256(2) 0.053(3) Uani 1 1 d . . .
H17A H 0.6592 0.7566 0.4273 0.079 Uiso 1 1 calc R . .
H17B H 0.7459 0.7105 0.4402 0.079 Uiso 1 1 calc R . .
H17C H 0.6568 0.6746 0.4362 0.079 Uiso 1 1 calc R . .
C18 C 0.6607(5) 0.6928(5) 0.3826(2) 0.034(2) Uani 1 1 d . . .
C19 C 0.7811(6) 0.7270(6) 0.3587(3) 0.055(3) Uani 1 1 d . . .
H19A H 0.7725 0.6834 0.3439 0.082 Uiso 1 1 calc R . .
H19B H 0.8267 0.7200 0.3845 0.082 Uiso 1 1 calc R . .
H19C H 0.7986 0.7646 0.3457 0.082 Uiso 1 1 calc R . .
C20 C 0.6958(5) 0.7475(5) 0.3616(2) 0.031(2) Uani 1 1 d . . .
C21 C 0.7014(6) 0.8229(5) 0.3764(2) 0.048(3) Uani 1 1 d . . .
H21A H 0.7121 0.8551 0.3588 0.073 Uiso 1 1 calc R . .
H21B H 0.7490 0.8264 0.4020 0.073 Uiso 1 1 calc R . .
H21C H 0.6465 0.8354 0.3780 0.073 Uiso 1 1 calc R . .
C22 C 0.5435(5) 0.7236(5) 0.3234(2) 0.032(2) Uani 1 1 d . . .
C23 C 0.4410(6) 0.7805(5) 0.2621(2) 0.040(2) Uani 1 1 d . . .
H23 H 0.4850 0.8136 0.2643 0.048 Uiso 1 1 calc R . .
C24 C 0.4569(6) 0.7286(5) 0.2907(2) 0.032(2) Uani 1 1 d . . .
C25 C 0.3892(5) 0.6794(5) 0.2877(2) 0.031(2) Uani 1 1 d . . .
H25 H 0.3985 0.6452 0.3071 0.037 Uiso 1 1 calc R . .
C26 C 0.3090(6) 0.6828(5) 0.2554(2) 0.034(2) Uani 1 1 d . . .
H26 H 0.2643 0.6505 0.2533 0.040 Uiso 1 1 calc R . .
C27 C 0.2935(5) 0.7338(5) 0.2260(2) 0.031(2) Uani 1 1 d . . .
C28 C 0.3605(6) 0.7833(4) 0.2304(2) 0.032(2) Uani 1 1 d . . .
H28 H 0.3503 0.8189 0.2116 0.039 Uiso 1 1 calc R . .
C29 C 0.2132(6) 0.7319(5) 0.1890(2) 0.034(2) Uani 1 1 d . . .
C30 C 0.2203(5) 0.7419(5) 0.1534(2) 0.034(2) Uani 1 1 d . . .
H30 H 0.2761 0.7507 0.1537 0.040 Uiso 1 1 calc R . .
C31 C 0.0732(6) 0.7235(5) 0.1202(2) 0.034(2) Uani 1 1 d . . .
H31 H 0.0247 0.7186 0.0963 0.041 Uiso 1 1 calc R . .
C32 C 0.1282(6) 0.7186(5) 0.1864(2) 0.038(2) Uani 1 1 d . . .
H32 H 0.1197 0.7127 0.2094 0.045 Uiso 1 1 calc R . .
C33 C 0.3938(6) 0.8765(5) 0.1208(2) 0.036(2) Uani 1 1 d . . .
C34 C 0.2964(6) 0.8603(5) 0.0971(2) 0.035(2) Uani 1 1 d . . .
C35 C 0.2364(6) 0.9150(5) 0.0901(3) 0.048(3) Uani 1 1 d . D .
H35 H 0.2562 0.9606 0.0998 0.058 Uiso 1 1 calc R . .
C36 C 0.1452(7) 0.9030(5) 0.0685(3) 0.048(3) Uani 1 1 d . . .
C37 C 0.0837(9) 0.9684(7) 0.0648(5) 0.095(5) Uani 1 1 d . D .
C38 C 0.2448(6) 0.5402(5) 0.0533(3) 0.042(2) Uani 1 1 d . . .
C39 C 0.1859(6) 0.6057(4) 0.0452(2) 0.034(2) Uani 1 1 d . . .
C40 C 0.0987(5) 0.5981(5) 0.0178(2) 0.036(2) Uani 1 1 d . . .
H40 H 0.0813 0.5562 0.0032 0.043 Uiso 1 1 calc R . .
C41 C 0.0369(5) 0.6535(5) 0.0121(2) 0.034(2) Uani 1 1 d . . .
C42 C -0.0575(6) 0.6433(5) -0.0175(3) 0.044(2) Uani 1 1 d . . .
C43 C -0.0011(11) 0.5654(9) 0.2407(6) 0.146(9) Uani 1 1 d D . .
C44 C -0.0368(9) 0.5895(7) 0.1930(3) 0.075(4) Uani 1 1 d . C .
C45 C -0.0338(9) 0.5394(6) 0.1652(3) 0.082(4) Uani 1 1 d . . .
H45 H -0.0121 0.4934 0.1733 0.098 Uiso 1 1 calc R C .
C46 C -0.0628(7) 0.5579(6) 0.1262(3) 0.049(3) Uani 1 1 d . C .
C47 C -0.0467(10) 0.5051(7) 0.0984(4) 0.075(4) Uani 1 1 d . . .
C48 C -0.1701(7) 0.8383(5) 0.0408(2) 0.044(2) Uani 1 1 d . . .
C49 C -0.1341(5) 0.8176(5) 0.0840(2) 0.032(2) Uani 1 1 d . . .
C50 C -0.1028(6) 0.8690(5) 0.1124(2) 0.049(3) Uani 1 1 d . . .
H50 H -0.0981 0.9160 0.1050 0.058 Uiso 1 1 calc R . .
C51 C -0.0775(6) 0.8537(6) 0.1520(3) 0.046(3) Uani 1 1 d . . .
C52 C -0.0434(9) 0.9151(6) 0.1814(3) 0.070(4) Uani 1 1 d . . .
C53 C -0.0937(8) 0.8199(7) 0.2854(3) 0.062(3) Uani 1 1 d . . .
C54 C -0.1929(7) 0.8146(6) 0.2651(2) 0.045(2) Uani 1 1 d . . .
C55 C -0.2424(7) 0.8769(6) 0.2582(2) 0.052(3) Uani 1 1 d . . .
H55 H -0.2144 0.9206 0.2674 0.063 Uiso 1 1 calc R . .
C56 C -0.3337(6) 0.8741(5) 0.2377(2) 0.039(2) Uani 1 1 d . . .
C57 C -0.3890(7) 0.9446(6) 0.2346(3) 0.050(3) Uani 1 1 d . . .
C58 C -0.3003(9) 0.5103(6) 0.2789(3) 0.064(3) Uani 1 1 d . B .
C59 C -0.3491(7) 0.5754(5) 0.2552(2) 0.045(2) Uani 1 1 d . . .
C60 C -0.4387(6) 0.5696(5) 0.2303(3) 0.045(2) Uani 1 1 d . B .
H60 H -0.4678 0.5264 0.2292 0.055 Uiso 1 1 calc R . .
C61 C -0.4851(6) 0.6253(5) 0.2075(2) 0.036(2) Uani 1 1 d . . .
C62 C -0.5773(7) 0.6087(5) 0.1776(2) 0.042(2) Uani 1 1 d . B .
C63 C -0.2496(6) 0.7016(5) 0.1715(2) 0.041(2) Uani 1 1 d . . .
H63 H -0.1991 0.6955 0.1946 0.050 Uiso 1 1 calc R . .
C64 C -0.3997(6) 0.7192(4) 0.1408(2) 0.035(2) Uani 1 1 d . . .
H64 H -0.4550 0.7245 0.1415 0.042 Uiso 1 1 calc R . .
C65 C -0.3939(6) 0.7219(5) 0.1048(2) 0.037(2) Uani 1 1 d . . .
C66 C -0.3101(6) 0.7135(5) 0.1052(2) 0.039(2) Uani 1 1 d . . .
H66 H -0.3036 0.7158 0.0817 0.047 Uiso 1 1 calc R . .
C67 C -0.4766(5) 0.7349(5) 0.0691(2) 0.030(2) Uani 1 1 d . . .
C68 C -0.5530(6) 0.6991(5) 0.0635(2) 0.036(2) Uani 1 1 d . . .
H68 H -0.5535 0.6637 0.0809 0.043 Uiso 1 1 calc R . .
C69 C -0.6291(5) 0.7167(4) 0.0315(2) 0.0292(19) Uani 1 1 d . . .
H69 H -0.6814 0.6921 0.0272 0.035 Uiso 1 1 calc R . .
C70 C -0.6302(5) 0.7698(4) 0.0058(2) 0.0270(19) Uani 1 1 d . . .
C71 C -0.5523(5) 0.8035(4) 0.0105(2) 0.031(2) Uani 1 1 d . . .
H71 H -0.5530 0.8383 -0.0075 0.037 Uiso 1 1 calc R . .
C72 C -0.4729(5) 0.7866(4) 0.0415(2) 0.030(2) Uani 1 1 d . . .
H72 H -0.4197 0.8078 0.0442 0.036 Uiso 1 1 calc R . .
C73 C -0.7140(5) 0.7928(4) -0.0256(2) 0.0288(19) Uani 1 1 d . . .
C74 C -0.9044(6) 0.7437(5) -0.0884(2) 0.046(2) Uani 1 1 d . . .
H74A H -0.8596 0.7255 -0.0961 0.069 Uiso 1 1 calc R . .
H74B H -0.9564 0.7560 -0.1113 0.069 Uiso 1 1 calc R . .
H74C H -0.9193 0.7076 -0.0737 0.069 Uiso 1 1 calc R . .
C75 C -0.8694(5) 0.8104(5) -0.0628(2) 0.031(2) Uani 1 1 d . . .
C76 C -0.9406(6) 0.8456(6) -0.0534(3) 0.049(3) Uani 1 1 d . . .
H76A H -0.9690 0.8101 -0.0438 0.074 Uiso 1 1 calc R . .
H76B H -0.9837 0.8674 -0.0766 0.074 Uiso 1 1 calc R . .
H76C H -0.9143 0.8816 -0.0336 0.074 Uiso 1 1 calc R . .
C77 C -0.8435(6) 0.8605(5) -0.1227(2) 0.044(2) Uani 1 1 d . . .
H77A H -0.8059 0.8925 -0.1292 0.067 Uiso 1 1 calc R . .
H77B H -0.9040 0.8762 -0.1355 0.067 Uiso 1 1 calc R . .
H77C H -0.8382 0.8129 -0.1314 0.067 Uiso 1 1 calc R . .
C78 C -0.8109(6) 0.9378(5) -0.0631(2) 0.045(2) Uani 1 1 d . . .
H78A H -0.7925 0.9368 -0.0352 0.068 Uiso 1 1 calc R . .
H78B H -0.8684 0.9598 -0.0752 0.068 Uiso 1 1 calc R . .
H78C H -0.7689 0.9649 -0.0693 0.068 Uiso 1 1 calc R . .
C79 C -0.8157(5) 0.8602(5) -0.0785(2) 0.032(2) 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'
Cu Cu 0.3201 1.2651 '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'
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'
Yb Yb -0.3850 5.5486 '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
O5 Yb1 O3 149.7(2) . .
O5 Yb1 O2 98.28(18) . .
O3 Yb1 O2 74.99(18) . .
O5 Yb1 O8 136.9(2) . .
O3 Yb1 O8 73.4(2) . .
O2 Yb1 O8 96.3(2) . .
O5 Yb1 O21 93.67(18) . 4_676
O3 Yb1 O21 73.96(19) . 4_676
O2 Yb1 O21 136.8(2) . 4_676
O8 Yb1 O21 102.78(19) . 4_676
O5 Yb1 O6 73.9(2) . .
O3 Yb1 O6 129.1(2) . .
O2 Yb1 O6 72.8(2) . .
O8 Yb1 O6 72.18(19) . .
O21 Yb1 O6 150.1(2) 4_676 .
O5 Yb1 O4 74.8(2) . .
O3 Yb1 O4 74.99(18) . .
O2 Yb1 O4 71.97(19) . .
O8 Yb1 O4 148.20(19) . .
O21 Yb1 O4 71.45(18) 4_676 .
O6 Yb1 O4 128.05(18) . .
O5 Yb1 O7 73.48(19) . .
O3 Yb1 O7 126.04(19) . .
O2 Yb1 O7 150.1(2) . .
O8 Yb1 O7 73.8(2) . .
O21 Yb1 O7 73.07(19) 4_676 .
O6 Yb1 O7 77.3(2) . .
O4 Yb1 O7 129.98(19) . .
O19 Cu1 O18 175.2(3) . .
O19 Cu1 O17 86.9(3) . .
O18 Cu1 O17 91.7(3) . .
O19 Cu1 O20 92.3(3) . .
O18 Cu1 O20 90.5(2) . .
O17 Cu1 O20 161.8(2) . .
O19 Cu1 N6 89.5(2) . .
O18 Cu1 N6 86.4(2) . .
O17 Cu1 N6 104.7(2) . .
O20 Cu1 N6 93.5(2) . .
O19 Cu1 O1 91.4(2) . 1_455
O18 Cu1 O1 93.2(2) . 1_455
O17 Cu1 O1 89.9(2) . 1_455
O20 Cu1 O1 71.9(2) . 1_455
N6 Cu1 O1 165.3(2) . 1_455
O11 Cu2 O9 171.8(2) . .
O11 Cu2 O12 92.1(2) . .
O9 Cu2 O12 89.3(2) . .
O11 Cu2 O10 86.9(2) . .
O9 Cu2 O10 91.4(2) . .
O12 Cu2 O10 177.1(2) . .
O11 Cu2 N3 96.6(2) . .
O9 Cu2 N3 91.4(2) . .
O12 Cu2 N3 92.0(2) . .
O10 Cu2 N3 90.8(2) . .
O11 Cu2 O22 83.0(2) . 1_655
O9 Cu2 O22 89.3(2) . 1_655
O12 Cu2 O22 81.3(2) . 1_655
O10 Cu2 O22 95.9(2) . 1_655
N3 Cu2 O22 173.2(2) . 1_655
O13 Cu3 O16 177.4(3) . .
O13 Cu3 O15 90.8(3) . .
O16 Cu3 O15 91.5(2) . .
O13 Cu3 O14 92.8(3) . .
O16 Cu3 O14 85.2(2) . .
O15 Cu3 O14 167.2(3) . .
O13 Cu3 N5 87.4(2) . .
O16 Cu3 N5 91.3(2) . .
O15 Cu3 N5 89.3(3) . .
O14 Cu3 N5 103.1(3) . .
O13 Cu3 N4 87.3(2) . .
O16 Cu3 N4 94.2(2) . .
O15 Cu3 N4 82.2(3) . .
O14 Cu3 N4 85.6(2) . .
N5 Cu3 N4 170.0(2) . .
C58 F28 F30B 50.1(13) . .
C58 F30B F28 51.7(12) . .
C37 F46A F48 53.5(15) . .
F46A F48 C37 49.2(15) . .
N1 O1 Cu1 139.0(5) . 1_655
N2 O2 Yb1 137.9(5) . .
C2 O3 Yb1 133.9(5) . .
C4 O4 Yb1 133.2(5) . .
C14 O5 Yb1 133.6(6) . .
C12 O6 Yb1 132.5(6) . .
C9 O7 Yb1 132.5(6) . .
C7 O8 Yb1 132.8(6) . .
C34 O9 Cu2 125.9(6) . .
C36 O10 Cu2 124.8(6) . .
C41 O11 Cu2 124.4(5) . .
C39 O12 Cu2 124.9(5) . .
C44 O13 Cu3 123.9(7) . .
C46 O14 Cu3 123.7(6) . .
C51 O15 Cu3 125.5(6) . .
C49 O16 Cu3 124.5(5) . .
C59 O17 Cu1 126.1(6) . .
C61 O18 Cu1 124.3(6) . .
C54 O19 Cu1 125.5(7) . .
C56 O20 Cu1 122.3(6) . .
N7 O21 Yb1 136.2(5) . 4_475
N8 O22 Cu2 149.6(6) . 1_455
O1 N1 C22 126.5(6) . .
O1 N1 C20 120.3(7) . .
C22 N1 C20 112.7(6) . .
O2 N2 C22 125.2(7) . .
O2 N2 C18 120.9(6) . .
C22 N2 C18 113.0(7) . .
C30 N3 C31 116.0(7) . .
C30 N3 Cu2 122.2(6) . .
C31 N3 Cu2 121.6(5) . .
C31 N4 C32 117.0(7) . .
C31 N4 Cu3 114.2(5) . .
C32 N4 Cu3 128.5(5) . .
C66 N5 C63 118.1(8) . .
C66 N5 Cu3 121.7(6) . .
C63 N5 Cu3 119.4(6) . .
C64 N6 C63 116.2(7) . .
C64 N6 Cu1 119.8(6) . .
C63 N6 Cu1 123.3(5) . .
O21 N7 C73 125.8(6) . .
O21 N7 C79 119.7(6) . .
C73 N7 C79 113.8(7) . .
O22 N8 C73 126.4(7) . .
O22 N8 C75 120.4(6) . .
C73 N8 C75 112.6(6) . .
F1 C1 F3 107.1(8) . .
F1 C1 F2 107.6(8) . .
F3 C1 F2 106.1(7) . .
F1 C1 C2 110.7(7) . .
F3 C1 C2 114.3(7) . .
F2 C1 C2 110.7(8) . .
O3 C2 C3 128.9(8) . .
O3 C2 C1 113.4(7) . .
C3 C2 C1 117.6(8) . .
C2 C3 C4 121.5(8) . .
C2 C3 H3 119.2 . .
C4 C3 H3 119.2 . .
O4 C4 C3 127.0(8) . .
O4 C4 C5 115.4(7) . .
C3 C4 C5 117.5(8) . .
F6 C5 F5 107.5(8) . .
F6 C5 F4 108.3(7) . .
F5 C5 F4 106.1(8) . .
F6 C5 C4 111.9(8) . .
F5 C5 C4 109.8(7) . .
F4 C5 C4 113.0(8) . .
F7 C6 F9B 124.9(14) . .
F7 C6 F8 103.2(11) . .
F9B C6 F8 85.5(14) . .
F7 C6 F9A 92.9(11) . .
F9B C6 F9A 45.9(11) . .
F8 C6 F9A 127.1(13) . .
F7 C6 C7 111.5(10) . .
F9B C6 C7 115.3(13) . .
F8 C6 C7 111.4(9) . .
F9A C6 C7 108.4(11) . .
O8 C7 C8 128.7(9) . .
O8 C7 C6 114.8(9) . .
C8 C7 C6 116.5(10) . .
C9 C8 C7 120.6(9) . .
C9 C8 H8 119.7 . .
C7 C8 H8 119.7 . .
O7 C9 C8 127.7(9) . .
O7 C9 C10 113.6(9) . .
C8 C9 C10 118.7(9) . .
F11 C10 F10 107.2(9) . .
F11 C10 F12 107.5(8) . .
F10 C10 F12 105.9(8) . .
F11 C10 C9 113.8(8) . .
F10 C10 C9 111.7(8) . .
F12 C10 C9 110.5(8) . .
F13 C11 F15 106.6(8) . .
F13 C11 F14 106.4(8) . .
F15 C11 F14 107.9(7) . .
F13 C11 C12 111.0(7) . .
F15 C11 C12 114.8(8) . .
F14 C11 C12 109.8(8) . .
O6 C12 C13 126.7(9) . .
O6 C12 C11 116.0(8) . .
C13 C12 C11 117.3(8) . .
C12 C13 C14 121.8(8) . .
C12 C13 H13 119.1 . .
C14 C13 H13 119.1 . .
O5 C14 C13 126.7(8) . .
O5 C14 C15 114.9(9) . .
C13 C14 C15 118.4(8) . .
F16 C15 F18 110.0(10) . .
F16 C15 F17 104.3(9) . .
F18 C15 F17 105.9(9) . .
F16 C15 C14 114.1(9) . .
F18 C15 C14 109.9(8) . .
F17 C15 C14 112.2(9) . .
C18 C16 H16A 109.5 . .
C18 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C18 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 H17A 109.5 . .
C18 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C18 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N2 C18 C16 105.1(7) . .
N2 C18 C17 110.3(7) . .
C16 C18 C17 109.2(7) . .
N2 C18 C20 101.1(6) . .
C16 C18 C20 115.7(8) . .
C17 C18 C20 114.7(7) . .
C20 C19 H19A 109.5 . .
C20 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C20 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
N1 C20 C21 106.9(7) . .
N1 C20 C19 110.1(6) . .
C21 C20 C19 110.2(7) . .
N1 C20 C18 99.0(6) . .
C21 C20 C18 114.4(7) . .
C19 C20 C18 115.3(8) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N2 C22 N1 106.6(7) . .
N2 C22 C24 128.7(8) . .
N1 C22 C24 124.6(7) . .
C28 C23 C24 120.3(8) . .
C28 C23 H23 119.9 . .
C24 C23 H23 119.9 . .
C23 C24 C25 119.7(8) . .
C23 C24 C22 120.3(8) . .
C25 C24 C22 119.9(7) . .
C26 C25 C24 119.0(7) . .
C26 C25 H25 120.5 . .
C24 C25 H25 120.5 . .
C25 C26 C27 121.4(8) . .
C25 C26 H26 119.3 . .
C27 C26 H26 119.3 . .
C28 C27 C26 118.3(7) . .
C28 C27 C29 119.6(7) . .
C26 C27 C29 121.8(8) . .
C23 C28 C27 121.2(7) . .
C23 C28 H28 119.4 . .
C27 C28 H28 119.4 . .
C32 C29 C30 115.7(7) . .
C32 C29 C27 124.6(7) . .
C30 C29 C27 119.7(8) . .
N3 C30 C29 122.7(8) . .
N3 C30 H30 118.6 . .
C29 C30 H30 118.6 . .
N4 C31 N3 126.5(7) . .
N4 C31 H31 116.8 . .
N3 C31 H31 116.8 . .
N4 C32 C29 122.1(7) . .
N4 C32 H32 119.0 . .
C29 C32 H32 119.0 . .
F45 C33 F44 107.5(7) . .
F45 C33 F43 106.1(8) . .
F44 C33 F43 107.9(7) . .
F45 C33 C34 110.7(7) . .
F44 C33 C34 113.5(7) . .
F43 C33 C34 110.9(7) . .
O9 C34 C35 127.8(8) . .
O9 C34 C33 113.8(8) . .
C35 C34 C33 118.3(8) . .
C34 C35 C36 120.8(9) . .
C34 C35 H35 119.6 . .
C36 C35 H35 119.6 . .
O10 C36 C35 128.5(9) . .
O10 C36 C37 115.9(9) . .
C35 C36 C37 115.6(9) . .
F46A C37 F46B 46.2(17) . .
F46A C37 F47 130(2) . .
F46B C37 F47 97.1(16) . .
F46A C37 F48 77(2) . .
F46B C37 F48 118.9(15) . .
F47 C37 F48 106.2(13) . .
F46A C37 C36 111.6(16) . .
F46B C37 C36 109.5(13) . .
F47 C37 C36 112.3(11) . .
F48 C37 C36 111.9(13) . .
F51 C38 F49 106.8(8) . .
F51 C38 F50 106.5(8) . .
F49 C38 F50 107.2(8) . .
F51 C38 C39 111.0(8) . .
F49 C38 C39 111.6(8) . .
F50 C38 C39 113.4(7) . .
O12 C39 C40 127.8(8) . .
O12 C39 C38 115.1(8) . .
C40 C39 C38 116.8(8) . .
C39 C40 C41 120.4(8) . .
C39 C40 H40 119.8 . .
C41 C40 H40 119.8 . .
O11 C41 C40 128.2(7) . .
O11 C41 C42 112.6(8) . .
C40 C41 C42 119.2(8) . .
F54 C42 F53 108.5(9) . .
F54 C42 F52 107.9(8) . .
F53 C42 F52 106.8(8) . .
F54 C42 C41 111.3(8) . .
F53 C42 C41 109.9(8) . .
F52 C42 C41 112.2(8) . .
F37A C43 F38B 99(2) . .
F37A C43 F38A 128(2) . .
F38B C43 F38A 35.5(14) . .
F37A C43 F37B 47.5(13) . .
F38B C43 F37B 145(2) . .
F38A C43 F37B 152(2) . .
F37A C43 F39A 116(2) . .
F38B C43 F39A 120.9(19) . .
F38A C43 F39A 87(2) . .
F37B C43 F39A 76.2(19) . .
F37A C43 F39B 127(2) . .
F38B C43 F39B 122(2) . .
F38A C43 F39B 86(2) . .
F37B C43 F39B 83(2) . .
F39A C43 F39B 13.9(15) . .
F37A C43 C44 111.9(14) . .
F38B C43 C44 102.5(14) . .
F38A C43 C44 104.0(16) . .
F37B C43 C44 101.7(14) . .
F39A C43 C44 105.2(16) . .
F39B C43 C44 92.0(14) . .
O13 C44 C45 129.9(10) . .
O13 C44 C43 110.3(11) . .
C45 C44 C43 119.8(11) . .
C46 C45 C44 120.6(10) . .
C46 C45 H45 119.7 . .
C44 C45 H45 119.7 . .
O14 C46 C45 128.0(10) . .
O14 C46 C47 113.4(9) . .
C45 C46 C47 118.4(10) . .
F40 C47 F41 106.2(11) . .
F40 C47 F42 107.2(11) . .
F41 C47 F42 108.2(11) . .
F40 C47 C46 111.6(10) . .
F41 C47 C46 113.9(11) . .
F42 C47 C46 109.4(11) . .
F34 C48 F35 108.1(8) . .
F34 C48 F36 105.6(8) . .
F35 C48 F36 107.7(8) . .
F34 C48 C49 110.4(8) . .
F35 C48 C49 113.3(8) . .
F36 C48 C49 111.4(7) . .
O16 C49 C50 127.5(7) . .
O16 C49 C48 112.0(7) . .
C50 C49 C48 120.4(8) . .
C49 C50 C51 122.4(9) . .
C49 C50 H50 118.8 . .
C51 C50 H50 118.8 . .
O15 C51 C50 127.5(9) . .
O15 C51 C52 114.2(8) . .
C50 C51 C52 118.2(10) . .
F33 C52 F32 108.0(11) . .
F33 C52 F31 109.2(8) . .
F32 C52 F31 106.6(10) . .
F33 C52 C51 109.9(10) . .
F32 C52 C51 114.7(8) . .
F31 C52 C51 108.3(10) . .
F19 C53 F21 108.3(9) . .
F19 C53 F20 106.7(11) . .
F21 C53 F20 103.9(10) . .
F19 C53 C54 111.8(9) . .
F21 C53 C54 115.1(10) . .
F20 C53 C54 110.6(8) . .
O19 C54 C55 128.4(10) . .
O19 C54 C53 112.9(9) . .
C55 C54 C53 118.6(10) . .
C54 C55 C56 119.9(9) . .
C54 C55 H55 120.1 . .
C56 C55 H55 120.1 . .
O20 C56 C55 130.0(10) . .
O20 C56 C57 111.4(8) . .
C55 C56 C57 118.4(9) . .
F22 C57 F23 111.3(9) . .
F22 C57 F24 106.1(9) . .
F23 C57 F24 106.2(9) . .
F22 C57 C56 112.3(8) . .
F23 C57 C56 109.4(8) . .
F24 C57 C56 111.3(8) . .
F30B C58 F28 78.1(18) . .
F30B C58 F29 128.5(16) . .
F28 C58 F29 106.7(12) . .
F30B C58 F30A 43.9(15) . .
F28 C58 F30A 118.3(12) . .
F29 C58 F30A 97.6(10) . .
F30B C58 C59 113.0(15) . .
F28 C58 C59 109.0(9) . .
F29 C58 C59 113.2(9) . .
F30A C58 C59 111.7(11) . .
O17 C59 C60 125.7(9) . .
O17 C59 C58 114.8(9) . .
C60 C59 C58 119.5(9) . .
C61 C60 C59 122.1(9) . .
C61 C60 H60 118.9 . .
C59 C60 H60 118.9 . .
O18 C61 C60 129.5(9) . .
O18 C61 C62 113.9(8) . .
C60 C61 C62 116.6(8) . .
F25 C62 F27 108.5(9) . .
F25 C62 F26 106.0(8) . .
F27 C62 F26 102.7(9) . .
F25 C62 C61 114.1(9) . .
F27 C62 C61 111.9(7) . .
F26 C62 C61 112.9(8) . .
N5 C63 N6 124.7(8) . .
N5 C63 H63 117.7 . .
N6 C63 H63 117.7 . .
N6 C64 C65 122.4(9) . .
N6 C64 H64 118.8 . .
C65 C64 H64 118.8 . .
C64 C65 C66 116.7(8) . .
C64 C65 C67 118.4(8) . .
C66 C65 C67 124.9(7) . .
N5 C66 C65 121.9(8) . .
N5 C66 H66 119.0 . .
C65 C66 H66 119.0 . .
C68 C67 C72 121.8(7) . .
C68 C67 C65 120.6(7) . .
C72 C67 C65 117.6(8) . .
C67 C68 C69 118.4(8) . .
C67 C68 H68 120.8 . .
C69 C68 H68 120.8 . .
C68 C69 C70 121.7(8) . .
C68 C69 H69 119.1 . .
C70 C69 H69 119.1 . .
C71 C70 C69 119.7(7) . .
C71 C70 C73 119.8(7) . .
C69 C70 C73 120.5(7) . .
C70 C71 C72 121.3(7) . .
C70 C71 H71 119.4 . .
C72 C71 H71 119.4 . .
C71 C72 C67 116.9(8) . .
C71 C72 H72 121.6 . .
C67 C72 H72 121.6 . .
N7 C73 N8 106.6(7) . .
N7 C73 C70 127.7(7) . .
N8 C73 C70 125.6(7) . .
C75 C74 H74A 109.5 . .
C75 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
C75 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
N8 C75 C76 109.0(7) . .
N8 C75 C74 106.1(7) . .
C76 C75 C74 111.5(7) . .
N8 C75 C79 100.2(6) . .
C76 C75 C79 116.6(8) . .
C74 C75 C79 112.3(7) . .
C75 C76 H76A 109.5 . .
C75 C76 H76B 109.5 . .
H76A C76 H76B 109.5 . .
C75 C76 H76C 109.5 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
C79 C77 H77A 109.5 . .
C79 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
C79 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
C79 C78 H78A 109.5 . .
C79 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
C79 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
N7 C79 C77 111.0(7) . .
N7 C79 C78 105.9(6) . .
C77 C79 C78 110.4(7) . .
N7 C79 C75 100.7(6) . .
C77 C79 C75 116.4(7) . .
C78 C79 C75 111.6(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O5 2.254(5) .
Yb1 O3 2.280(5) .
Yb1 O2 2.290(6) .
Yb1 O8 2.296(5) .
Yb1 O21 2.302(5) 4_676
Yb1 O6 2.313(6) .
Yb1 O4 2.330(5) .
Yb1 O7 2.334(6) .
Cu1 O19 1.907(6) .
Cu1 O18 1.943(6) .
Cu1 O17 1.950(6) .
Cu1 O20 1.964(6) .
Cu1 N6 2.327(7) .
Cu1 O1 2.558(6) 1_455
Cu2 O11 1.920(5) .
Cu2 O9 1.935(5) .
Cu2 O12 1.947(5) .
Cu2 O10 1.957(6) .
Cu2 N3 2.268(6) .
Cu2 O22 2.462(5) 1_655
Cu3 O13 1.933(6) .
Cu3 O16 1.951(5) .
Cu3 O15 1.954(6) .
Cu3 O14 1.962(6) .
Cu3 N5 2.308(8) .
Cu3 N4 2.439(6) .
F1 C1 1.306(10) .
F2 C1 1.316(10) .
F3 C1 1.312(10) .
F4 C5 1.351(10) .
F5 C5 1.332(10) .
F6 C5 1.292(10) .
F7 C6 1.307(13) .
F8 C6 1.308(13) .
F9A C6 1.405(19) .
F9B C6 1.31(2) .
F10 C10 1.328(10) .
F11 C10 1.303(10) .
F12 C10 1.334(11) .
F13 C11 1.308(10) .
F14 C11 1.344(10) .
F15 C11 1.331(10) .
F16 C15 1.298(11) .
F17 C15 1.347(12) .
F18 C15 1.313(12) .
F19 C53 1.299(12) .
F20 C53 1.343(12) .
F21 C53 1.315(12) .
F22 C57 1.295(11) .
F23 C57 1.294(11) .
F24 C57 1.353(11) .
F25 C62 1.247(10) .
F26 C62 1.332(10) .
F27 C62 1.309(10) .
F28 C58 1.285(13) .
F28 F30B 1.60(3) .
F29 C58 1.292(11) .
F30A C58 1.380(18) .
F30B C58 1.26(3) .
F31 C52 1.361(14) .
F32 C52 1.317(12) .
F33 C52 1.292(13) .
F34 C48 1.308(10) .
F35 C48 1.320(10) .
F36 C48 1.323(10) .
F37A C43 1.221(10) .
F37B C43 1.244(10) .
F38A C43 1.237(10) .
F38B C43 1.235(10) .
F39A C43 1.26(3) .
F39B C43 1.65(4) .
F40 C47 1.307(14) .
F41 C47 1.319(13) .
F42 C47 1.329(14) .
F43 C33 1.325(10) .
F44 C33 1.323(9) .
F45 C33 1.321(10) .
F46A C37 1.24(3) .
F46A F48 1.60(3) .
F46B C37 1.37(2) .
F47 C37 1.237(12) .
F48 C37 1.320(17) .
F49 C38 1.328(10) .
F50 C38 1.327(10) .
F51 C38 1.323(10) .
F52 C42 1.341(10) .
F53 C42 1.343(11) .
F54 C42 1.289(11) .
O1 N1 1.284(8) .
O1 Cu1 2.558(6) 1_655
O2 N2 1.305(8) .
O3 C2 1.255(9) .
O4 C4 1.254(9) .
O5 C14 1.259(9) .
O6 C12 1.244(9) .
O7 C9 1.256(10) .
O8 C7 1.249(11) .
O9 C34 1.264(9) .
O10 C36 1.236(10) .
O11 C41 1.267(9) .
O12 C39 1.247(9) .
O13 C44 1.208(12) .
O14 C46 1.243(10) .
O15 C51 1.230(11) .
O16 C49 1.274(10) .
O17 C59 1.265(11) .
O18 C61 1.243(10) .
O19 C54 1.239(11) .
O20 C56 1.228(10) .
O21 N7 1.299(8) .
O21 Yb1 2.302(5) 4_475
O22 N8 1.266(8) .
O22 Cu2 2.462(5) 1_455
N1 C22 1.364(10) .
N1 C20 1.482(9) .
N2 C22 1.318(9) .
N2 C18 1.483(10) .
N3 C30 1.327(9) .
N3 C31 1.333(10) .
N4 C31 1.320(10) .
N4 C32 1.332(9) .
N5 C66 1.318(10) .
N5 C63 1.332(10) .
N6 C64 1.337(10) .
N6 C63 1.359(11) .
N7 C73 1.339(9) .
N7 C79 1.482(10) .
N8 C73 1.373(10) .
N8 C75 1.496(9) .
C1 C2 1.535(11) .
C2 C3 1.379(11) .
C3 C4 1.401(11) .
C3 H3 0.9300 .
C4 C5 1.528(11) .
C6 C7 1.519(14) .
C7 C8 1.388(13) .
C8 C9 1.385(12) .
C8 H8 0.9300 .
C9 C10 1.532(13) .
C11 C12 1.532(12) .
C12 C13 1.378(12) .
C13 C14 1.388(13) .
C13 H13 0.9300 .
C14 C15 1.508(13) .
C16 C18 1.519(12) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.530(11) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 C20 1.536(11) .
C19 C20 1.506(12) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 C21 1.499(12) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 C24 1.454(11) .
C23 C28 1.372(11) .
C23 C24 1.386(11) .
C23 H23 0.9300 .
C24 C25 1.415(11) .
C25 C26 1.379(10) .
C25 H25 0.9300 .
C26 C27 1.397(11) .
C26 H26 0.9300 .
C27 C28 1.397(11) .
C27 C29 1.473(10) .
C28 H28 0.9300 .
C29 C32 1.388(11) .
C29 C30 1.398(11) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 C34 1.516(11) .
C34 C35 1.370(12) .
C35 C36 1.404(12) .
C35 H35 0.9300 .
C36 C37 1.557(15) .
C38 C39 1.512(12) .
C39 C40 1.391(11) .
C40 C41 1.404(11) .
C40 H40 0.9300 .
C41 C42 1.509(11) .
C43 C44 1.69(2) .
C44 C45 1.413(16) .
C45 C46 1.377(13) .
C45 H45 0.9300 .
C46 C47 1.531(14) .
C48 C49 1.526(11) .
C49 C50 1.363(11) .
C50 C51 1.394(12) .
C50 H50 0.9300 .
C51 C52 1.525(13) .
C53 C54 1.501(14) .
C54 C55 1.381(13) .
C55 C56 1.385(12) .
C55 H55 0.9300 .
C56 C57 1.578(13) .
C58 C59 1.524(13) .
C59 C60 1.393(12) .
C60 C61 1.362(12) .
C60 H60 0.9300 .
C61 C62 1.507(12) .
C63 H63 0.9300 .
C64 C65 1.385(10) .
C64 H64 0.9300 .
C65 C66 1.387(12) .
C65 C67 1.488(11) .
C66 H66 0.9300 .
C67 C68 1.365(11) .
C67 C72 1.431(10) .
C68 C69 1.374(10) .
C68 H68 0.9300 .
C69 C70 1.375(10) .
C69 H69 0.9300 .
C70 C71 1.375(11) .
C70 C73 1.465(10) .
C71 C72 1.384(10) .
C71 H71 0.9300 .
C72 H72 0.9300 .
C74 C75 1.530(11) .
C74 H74A 0.9600 .
C74 H74B 0.9600 .
C74 H74C 0.9600 .
C75 C76 1.509(12) .
C75 C79 1.554(11) .
C76 H76A 0.9600 .
C76 H76B 0.9600 .
C76 H76C 0.9600 .
C77 C79 1.523(10) .
C77 H77A 0.9600 .
C77 H77B 0.9600 .
C77 H77C 0.9600 .
C78 C79 1.546(11) .
C78 H78A 0.9600 .
C78 H78B 0.9600 .
C78 H78C 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
O5 Yb1 O2 N2 89.1(6) .
O3 Yb1 O2 N2 -121.1(6) .
O8 Yb1 O2 N2 -50.2(6) .
O21 Yb1 O2 N2 -166.4(6) 4_676
O6 Yb1 O2 N2 18.9(6) .
O4 Yb1 O2 N2 160.1(7) .
O7 Yb1 O2 N2 18.0(8) .
O5 Yb1 O3 C2 2.8(9) .
O2 Yb1 O3 C2 -77.8(7) .
O8 Yb1 O3 C2 -179.2(7) .
O21 Yb1 O3 C2 71.7(7) 4_676
O6 Yb1 O3 C2 -130.0(7) .
O4 Yb1 O3 C2 -2.9(7) .
O7 Yb1 O3 C2 126.0(7) .
O5 Yb1 O4 C4 -169.3(7) .
O3 Yb1 O4 C4 7.7(6) .
O2 Yb1 O4 C4 86.5(7) .
O8 Yb1 O4 C4 14.3(8) .
O21 Yb1 O4 C4 -70.1(6) 4_676
O6 Yb1 O4 C4 135.9(6) .
O7 Yb1 O4 C4 -117.1(7) .
O3 Yb1 O5 C14 -165.6(7) .
O2 Yb1 O5 C14 -91.2(8) .
O8 Yb1 O5 C14 17.3(9) .
O21 Yb1 O5 C14 130.4(7) 4_676
O6 Yb1 O5 C14 -21.9(7) .
O4 Yb1 O5 C14 -159.9(8) .
O7 Yb1 O5 C14 59.3(7) .
O5 Yb1 O6 C12 22.0(7) .
O3 Yb1 O6 C12 179.3(7) .
O2 Yb1 O6 C12 126.2(8) .
O8 Yb1 O6 C12 -131.0(8) .
O21 Yb1 O6 C12 -46.4(9) 4_676
O4 Yb1 O6 C12 77.1(8) .
O7 Yb1 O6 C12 -54.2(7) .
O5 Yb1 O7 C9 -132.8(7) .
O3 Yb1 O7 C9 73.4(7) .
O2 Yb1 O7 C9 -55.2(9) .
O8 Yb1 O7 C9 18.8(7) .
O21 Yb1 O7 C9 128.0(7) 4_676
O6 Yb1 O7 C9 -56.1(7) .
O4 Yb1 O7 C9 174.5(6) .
O5 Yb1 O8 C7 21.9(9) .
O3 Yb1 O8 C7 -156.6(8) .
O2 Yb1 O8 C7 131.2(8) .
O21 Yb1 O8 C7 -87.9(8) 4_676
O6 Yb1 O8 C7 61.5(8) .
O4 Yb1 O8 C7 -163.2(7) .
O7 Yb1 O8 C7 -20.0(8) .
O11 Cu2 O9 C34 84.9(18) .
O12 Cu2 O9 C34 -175.5(6) .
O10 Cu2 O9 C34 7.3(6) .
N3 Cu2 O9 C34 -83.5(6) .
O22 Cu2 O9 C34 103.2(6) 1_655
O11 Cu2 O10 C36 177.6(7) .
O9 Cu2 O10 C36 -10.4(7) .
O12 Cu2 O10 C36 -113(5) .
N3 Cu2 O10 C36 81.1(7) .
O22 Cu2 O10 C36 -99.8(7) 1_655
O9 Cu2 O11 C41 84.7(18) .
O12 Cu2 O11 C41 -14.7(6) .
O10 Cu2 O11 C41 162.6(6) .
N3 Cu2 O11 C41 -106.9(6) .
O22 Cu2 O11 C41 66.3(6) 1_655
O11 Cu2 O12 C39 15.5(6) .
O9 Cu2 O12 C39 -156.4(6) .
O10 Cu2 O12 C39 -54(5) .
N3 Cu2 O12 C39 112.2(6) .
O22 Cu2 O12 C39 -67.0(6) 1_655
O16 Cu3 O13 C44 48(6) .
O15 Cu3 O13 C44 -160.3(10) .
O14 Cu3 O13 C44 7.4(10) .
N5 Cu3 O13 C44 110.4(10) .
N4 Cu3 O13 C44 -78.1(10) .
O13 Cu3 O14 C46 -11.4(8) .
O16 Cu3 O14 C46 170.4(8) .
O15 Cu3 O14 C46 94.7(13) .
N5 Cu3 O14 C46 -99.4(8) .
N4 Cu3 O14 C46 75.8(8) .
O13 Cu3 O15 C51 171.1(8) .
O16 Cu3 O15 C51 -10.2(8) .
O14 Cu3 O15 C51 64.8(14) .
N5 Cu3 O15 C51 -101.5(8) .
N4 Cu3 O15 C51 83.9(8) .
O13 Cu3 O16 C49 161(6) .
O15 Cu3 O16 C49 9.0(7) .
O14 Cu3 O16 C49 -158.6(7) .
N5 Cu3 O16 C49 98.4(6) .
N4 Cu3 O16 C49 -73.3(6) .
O19 Cu1 O17 C59 -170.7(7) .
O18 Cu1 O17 C59 4.6(7) .
O20 Cu1 O17 C59 101.3(10) .
N6 Cu1 O17 C59 -82.0(7) .
O1 Cu1 O17 C59 97.9(7) 1_455
O19 Cu1 O18 C61 65(3) .
O17 Cu1 O18 C61 -7.6(6) .
O20 Cu1 O18 C61 -169.5(6) .
N6 Cu1 O18 C61 97.0(6) .
O1 Cu1 O18 C61 -97.7(6) 1_455
O18 Cu1 O19 C54 133(3) .
O17 Cu1 O19 C54 -154.0(7) .
O20 Cu1 O19 C54 7.8(7) .
N6 Cu1 O19 C54 101.2(7) .
O1 Cu1 O19 C54 -64.1(7) 1_455
O19 Cu1 O20 C56 -13.5(6) .
O18 Cu1 O20 C56 170.5(6) .
O17 Cu1 O20 C56 73.7(10) .
N6 Cu1 O20 C56 -103.1(6) .
O1 Cu1 O20 C56 77.3(6) 1_455
Cu1 O1 N1 C22 -87.1(10) 1_655
Cu1 O1 N1 C20 101.0(8) 1_655
Yb1 O2 N2 C22 -90.4(9) .
Yb1 O2 N2 C18 101.2(8) .
O11 Cu2 N3 C30 163.6(6) .
O9 Cu2 N3 C30 -18.0(7) .
O12 Cu2 N3 C30 71.3(7) .
O10 Cu2 N3 C30 -109.4(7) .
O22 Cu2 N3 C30 78(2) 1_655
O11 Cu2 N3 C31 -11.3(7) .
O9 Cu2 N3 C31 167.1(6) .
O12 Cu2 N3 C31 -103.6(7) .
O10 Cu2 N3 C31 75.7(7) .
O22 Cu2 N3 C31 -97.0(19) 1_655
O13 Cu3 N4 C31 156.2(6) .
O16 Cu3 N4 C31 -21.6(6) .
O15 Cu3 N4 C31 -112.6(6) .
O14 Cu3 N4 C31 63.2(6) .
N5 Cu3 N4 C31 -145.1(13) .
O13 Cu3 N4 C32 -30.6(7) .
O16 Cu3 N4 C32 151.5(7) .
O15 Cu3 N4 C32 60.5(7) .
O14 Cu3 N4 C32 -123.6(7) .
N5 Cu3 N4 C32 28.0(18) .
O13 Cu3 N5 C66 -161.3(7) .
O16 Cu3 N5 C66 16.3(7) .
O15 Cu3 N5 C66 107.9(7) .
O14 Cu3 N5 C66 -69.0(7) .
N4 Cu3 N5 C66 140.1(13) .
O13 Cu3 N5 C63 29.0(7) .
O16 Cu3 N5 C63 -153.3(7) .
O15 Cu3 N5 C63 -61.8(7) .
O14 Cu3 N5 C63 121.3(7) .
N4 Cu3 N5 C63 -29.6(18) .
O19 Cu1 N6 C64 -150.4(6) .
O18 Cu1 N6 C64 32.1(6) .
O17 Cu1 N6 C64 122.9(6) .
O20 Cu1 N6 C64 -58.2(6) .
O1 Cu1 N6 C64 -56.7(12) 1_455
O19 Cu1 N6 C63 19.6(7) .
O18 Cu1 N6 C63 -157.8(7) .
O17 Cu1 N6 C63 -67.1(7) .
O20 Cu1 N6 C63 111.9(7) .
O1 Cu1 N6 C63 113.3(10) 1_455
Yb1 O21 N7 C73 80.2(9) 4_475
Yb1 O21 N7 C79 -110.2(7) 4_475
Cu2 O22 N8 C73 90.9(12) 1_455
Cu2 O22 N8 C75 -98.9(10) 1_455
Yb1 O3 C2 C3 -0.3(13) .
Yb1 O3 C2 C1 175.4(5) .
F1 C1 C2 O3 -69.9(10) .
F3 C1 C2 O3 169.1(8) .
F2 C1 C2 O3 49.4(10) .
F1 C1 C2 C3 106.4(9) .
F3 C1 C2 C3 -14.6(12) .
F2 C1 C2 C3 -134.4(8) .
O3 C2 C3 C4 1.5(14) .
C1 C2 C3 C4 -174.1(8) .
Yb1 O4 C4 C3 -9.7(12) .
Yb1 O4 C4 C5 166.0(5) .
C2 C3 C4 O4 3.7(13) .
C2 C3 C4 C5 -172.0(8) .
O4 C4 C5 F6 27.9(11) .
C3 C4 C5 F6 -155.9(8) .
O4 C4 C5 F5 -91.4(9) .
C3 C4 C5 F5 84.8(10) .
O4 C4 C5 F4 150.4(7) .
C3 C4 C5 F4 -33.4(11) .
Yb1 O8 C7 C8 15.8(15) .
Yb1 O8 C7 C6 -161.3(7) .
F7 C6 C7 O8 -37.6(13) .
F9B C6 C7 O8 172.3(16) .
F8 C6 C7 O8 77.0(13) .
F9A C6 C7 O8 -138.5(12) .
F7 C6 C7 C8 144.8(10) .
F9B C6 C7 C8 -5(2) .
F8 C6 C7 C8 -100.5(13) .
F9A C6 C7 C8 43.9(15) .
O8 C7 C8 C9 1.6(16) .
C6 C7 C8 C9 178.7(9) .
Yb1 O7 C9 C8 -13.2(13) .
Yb1 O7 C9 C10 169.2(6) .
C7 C8 C9 O7 -2.8(15) .
C7 C8 C9 C10 174.8(9) .
O7 C9 C10 F11 -166.5(8) .
C8 C9 C10 F11 15.6(13) .
O7 C9 C10 F10 -45.0(11) .
C8 C9 C10 F10 137.1(9) .
O7 C9 C10 F12 72.6(9) .
C8 C9 C10 F12 -105.4(10) .
Yb1 O6 C12 C13 -17.4(14) .
Yb1 O6 C12 C11 165.1(5) .
F13 C11 C12 O6 -38.2(11) .
F15 C11 C12 O6 -159.1(8) .
F14 C11 C12 O6 79.1(10) .
F13 C11 C12 C13 144.1(8) .
F15 C11 C12 C13 23.1(12) .
F14 C11 C12 C13 -98.7(10) .
O6 C12 C13 C14 -0.1(15) .
C11 C12 C13 C14 177.4(9) .
Yb1 O5 C14 C13 17.4(14) .
Yb1 O5 C14 C15 -160.2(6) .
C12 C13 C14 O5 0.5(16) .
C12 C13 C14 C15 178.0(9) .
O5 C14 C15 F16 -152.9(10) .
C13 C14 C15 F16 29.3(15) .
O5 C14 C15 F18 83.0(11) .
C13 C14 C15 F18 -94.8(11) .
O5 C14 C15 F17 -34.6(12) .
C13 C14 C15 F17 147.6(9) .
O2 N2 C18 C16 71.4(9) .
C22 N2 C18 C16 -98.3(8) .
O2 N2 C18 C17 -46.2(10) .
C22 N2 C18 C17 144.1(8) .
O2 N2 C18 C20 -167.9(7) .
C22 N2 C18 C20 22.4(9) .
O1 N1 C20 C21 78.2(9) .
C22 N1 C20 C21 -94.8(8) .
O1 N1 C20 C19 -41.6(11) .
C22 N1 C20 C19 145.5(8) .
O1 N1 C20 C18 -162.8(7) .
C22 N1 C20 C18 24.2(9) .
N2 C18 C20 N1 -25.4(8) .
C16 C18 C20 N1 87.4(8) .
C17 C18 C20 N1 -144.0(7) .
N2 C18 C20 C21 87.8(8) .
C16 C18 C20 C21 -159.3(7) .
C17 C18 C20 C21 -30.8(10) .
N2 C18 C20 C19 -142.8(7) .
C16 C18 C20 C19 -30.0(10) .
C17 C18 C20 C19 98.6(9) .
O2 N2 C22 N1 -176.9(7) .
C18 N2 C22 N1 -7.8(9) .
O2 N2 C22 C24 2.9(14) .
C18 N2 C22 C24 172.1(8) .
O1 N1 C22 N2 176.0(7) .
C20 N1 C22 N2 -11.5(10) .
O1 N1 C22 C24 -3.8(14) .
C20 N1 C22 C24 168.6(8) .
C28 C23 C24 C25 -1.4(13) .
C28 C23 C24 C22 177.4(8) .
N2 C22 C24 C23 153.7(9) .
N1 C22 C24 C23 -26.5(13) .
N2 C22 C24 C25 -27.6(13) .
N1 C22 C24 C25 152.3(8) .
C23 C24 C25 C26 1.9(13) .
C22 C24 C25 C26 -176.8(7) .
C24 C25 C26 C27 -0.1(13) .
C25 C26 C27 C28 -2.1(13) .
C25 C26 C27 C29 171.6(8) .
C24 C23 C28 C27 -1.0(14) .
C26 C27 C28 C23 2.7(13) .
C29 C27 C28 C23 -171.2(8) .
C28 C27 C29 C32 -143.3(9) .
C26 C27 C29 C32 43.0(13) .
C28 C27 C29 C30 38.7(12) .
C26 C27 C29 C30 -135.0(9) .
C31 N3 C30 C29 -2.9(12) .
Cu2 N3 C30 C29 -178.0(6) .
C32 C29 C30 N3 0.4(13) .
C27 C29 C30 N3 178.6(8) .
C32 N4 C31 N3 -2.2(13) .
Cu3 N4 C31 N3 171.7(7) .
C30 N3 C31 N4 4.0(13) .
Cu2 N3 C31 N4 179.2(6) .
C31 N4 C32 C29 -0.7(13) .
Cu3 N4 C32 C29 -173.7(6) .
C30 C29 C32 N4 1.5(13) .
C27 C29 C32 N4 -176.6(8) .
Cu2 O9 C34 C35 -2.3(12) .
Cu2 O9 C34 C33 174.3(5) .
F45 C33 C34 O9 56.1(10) .
F44 C33 C34 O9 177.0(7) .
F43 C33 C34 O9 -61.4(10) .
F45 C33 C34 C35 -127.0(9) .
F44 C33 C34 C35 -6.1(12) .
F43 C33 C34 C35 115.5(9) .
O9 C34 C35 C36 -3.2(15) .
C33 C34 C35 C36 -179.7(8) .
Cu2 O10 C36 C35 8.9(14) .
Cu2 O10 C36 C37 -168.2(9) .
C34 C35 C36 O10 -0.6(16) .
C34 C35 C36 C37 176.6(11) .
F48 F46A C37 F46B -154(2) .
F48 F46A C37 F47 -101(3) .
F48 F46A C37 C36 108.8(17) .
F46A F48 C37 F46B 20.8(17) .
F46A F48 C37 F47 129(2) .
F46A F48 C37 C36 -108.4(17) .
O10 C36 C37 F46A 138(2) .
C35 C36 C37 F46A -39(3) .
O10 C36 C37 F46B 88.5(15) .
C35 C36 C37 F46B -89.0(16) .
O10 C36 C37 F47 -18(2) .
C35 C36 C37 F47 164.4(13) .
O10 C36 C37 F48 -137.5(11) .
C35 C36 C37 F48 45.1(17) .
Cu2 O12 C39 C40 -10.3(12) .
Cu2 O12 C39 C38 175.9(5) .
F51 C38 C39 O12 -42.2(10) .
F49 C38 C39 O12 76.9(10) .
F50 C38 C39 O12 -162.0(8) .
F51 C38 C39 C40 143.4(8) .
F49 C38 C39 C40 -97.5(9) .
F50 C38 C39 C40 23.6(12) .
O12 C39 C40 C41 -1.4(14) .
C38 C39 C40 C41 172.2(8) .
Cu2 O11 C41 C40 8.9(12) .
Cu2 O11 C41 C42 -169.7(6) .
C39 C40 C41 O11 2.2(14) .
C39 C40 C41 C42 -179.2(8) .
O11 C41 C42 F54 -64.4(10) .
C40 C41 C42 F54 116.9(9) .
O11 C41 C42 F53 55.8(11) .
C40 C41 C42 F53 -122.9(9) .
O11 C41 C42 F52 174.6(8) .
C40 C41 C42 F52 -4.2(12) .
Cu3 O13 C44 C45 -2(2) .
Cu3 O13 C44 C43 175.8(7) .
F37A C43 C44 O13 4(2) .
F38B C43 C44 O13 -101.1(16) .
F38A C43 C44 O13 -137.6(19) .
F37B C43 C44 O13 53(2) .
F39A C43 C44 O13 131.6(17) .
F39B C43 C44 O13 135.8(18) .
F37A C43 C44 C45 -177.2(17) .
F38B C43 C44 C45 77.3(19) .
F38A C43 C44 C45 41(2) .
F37B C43 C44 C45 -129(2) .
F39A C43 C44 C45 -50(2) .
F39B C43 C44 C45 -46(2) .
O13 C44 C45 C46 -2(2) .
C43 C44 C45 C46 179.8(12) .
Cu3 O14 C46 C45 10.9(16) .
Cu3 O14 C46 C47 -164.0(8) .
C44 C45 C46 O14 -3(2) .
C44 C45 C46 C47 171.9(13) .
O14 C46 C47 F40 -48.1(14) .
C45 C46 C47 F40 136.5(11) .
O14 C46 C47 F41 -168.4(11) .
C45 C46 C47 F41 16.2(18) .
O14 C46 C47 F42 70.3(14) .
C45 C46 C47 F42 -105.1(13) .
Cu3 O16 C49 C50 -3.7(13) .
Cu3 O16 C49 C48 178.2(6) .
F34 C48 C49 O16 62.7(10) .
F35 C48 C49 O16 -175.9(8) .
F36 C48 C49 O16 -54.3(11) .
F34 C48 C49 C50 -115.6(10) .
F35 C48 C49 C50 5.8(13) .
F36 C48 C49 C50 127.4(10) .
O16 C49 C50 C51 -4.6(16) .
C48 C49 C50 C51 173.5(9) .
Cu3 O15 C51 C50 6.0(14) .
Cu3 O15 C51 C52 -170.8(7) .
C49 C50 C51 O15 3.3(16) .
C49 C50 C51 C52 -179.9(10) .
O15 C51 C52 F33 64.8(13) .
C50 C51 C52 F33 -112.4(11) .
O15 C51 C52 F32 -173.4(10) .
C50 C51 C52 F32 9.5(16) .
O15 C51 C52 F31 -54.4(12) .
C50 C51 C52 F31 128.4(9) .
Cu1 O19 C54 C55 0.2(13) .
Cu1 O19 C54 C53 177.7(6) .
F19 C53 C54 O19 -59.8(12) .
F21 C53 C54 O19 176.1(9) .
F20 C53 C54 O19 58.8(12) .
F19 C53 C54 C55 117.9(11) .
F21 C53 C54 C55 -6.2(14) .
F20 C53 C54 C55 -123.4(10) .
O19 C54 C55 C56 -6.1(15) .
C53 C54 C55 C56 176.5(8) .
Cu1 O20 C56 C55 12.7(12) .
Cu1 O20 C56 C57 -162.3(5) .
C54 C55 C56 O20 -1.5(15) .
C54 C55 C56 C57 173.2(8) .
O20 C56 C57 F22 -57.8(11) .
C55 C56 C57 F22 126.6(9) .
O20 C56 C57 F23 66.4(11) .
C55 C56 C57 F23 -109.3(10) .
O20 C56 C57 F24 -176.6(7) .
C55 C56 C57 F24 7.7(12) .
F28 F30B C58 F29 -102(2) .
F28 F30B C58 F30A -156.4(19) .
F28 F30B C58 C59 105.7(13) .
F30B F28 C58 F29 126.9(15) .
F30B F28 C58 F30A 18.4(14) .
F30B F28 C58 C59 -110.5(15) .
Cu1 O17 C59 C60 -3.2(13) .
Cu1 O17 C59 C58 177.5(6) .
F30B C58 C59 O17 -169(2) .
F28 C58 C59 O17 -83.9(12) .
F29 C58 C59 O17 34.6(14) .
F30A C58 C59 O17 143.5(11) .
F30B C58 C59 C60 12(2) .
F28 C58 C59 C60 96.7(13) .
F29 C58 C59 C60 -144.8(10) .
F30A C58 C59 C60 -35.9(15) .
O17 C59 C60 C61 2.7(15) .
C58 C59 C60 C61 -178.0(9) .
Cu1 O18 C61 C60 10.1(12) .
Cu1 O18 C61 C62 -167.7(5) .
C59 C60 C61 O18 -6.6(15) .
C59 C60 C61 C62 171.1(8) .
O18 C61 C62 F25 138.6(9) .
C60 C61 C62 F25 -39.4(12) .
O18 C61 C62 F27 -97.7(10) .
C60 C61 C62 F27 84.2(11) .
O18 C61 C62 F26 17.6(11) .
C60 C61 C62 F26 -160.5(8) .
C66 N5 C63 N6 2.3(14) .
Cu3 N5 C63 N6 172.4(7) .
C64 N6 C63 N5 -1.1(13) .
Cu1 N6 C63 N5 -171.5(7) .
C63 N6 C64 C65 -0.2(12) .
Cu1 N6 C64 C65 170.5(6) .
N6 C64 C65 C66 0.2(13) .
N6 C64 C65 C67 -178.7(8) .
C63 N5 C66 C65 -2.2(13) .
Cu3 N5 C66 C65 -172.1(6) .
C64 C65 C66 N5 1.0(13) .
C67 C65 C66 N5 179.9(8) .
C64 C65 C67 C68 -44.9(12) .
C66 C65 C67 C68 136.3(9) .
C64 C65 C67 C72 134.2(8) .
C66 C65 C67 C72 -44.6(12) .
C72 C67 C68 C69 -3.8(13) .
C65 C67 C68 C69 175.2(8) .
C67 C68 C69 C70 -1.1(13) .
C68 C69 C70 C71 4.1(13) .
C68 C69 C70 C73 -173.4(7) .
C69 C70 C71 C72 -2.0(12) .
C73 C70 C71 C72 175.4(7) .
C70 C71 C72 C67 -2.6(12) .
C68 C67 C72 C71 5.6(12) .
C65 C67 C72 C71 -173.5(7) .
O21 N7 C73 N8 179.8(7) .
C79 N7 C73 N8 9.8(9) .
O21 N7 C73 C70 4.6(13) .
C79 N7 C73 C70 -165.5(7) .
O22 N8 C73 N7 178.6(7) .
C75 N8 C73 N7 7.7(9) .
O22 N8 C73 C70 -6.1(13) .
C75 N8 C73 C70 -177.0(7) .
C71 C70 C73 N7 19.8(13) .
C69 C70 C73 N7 -162.8(8) .
C71 C70 C73 N8 -154.5(8) .
C69 C70 C73 N8 22.9(12) .
O22 N8 C75 C76 45.4(10) .
C73 N8 C75 C76 -143.1(7) .
O22 N8 C75 C74 -74.8(9) .
C73 N8 C75 C74 96.7(8) .
O22 N8 C75 C79 168.3(7) .
C73 N8 C75 C79 -20.2(8) .
O21 N7 C79 C77 43.6(10) .
C73 N7 C79 C77 -145.6(7) .
O21 N7 C79 C78 -76.2(8) .
C73 N7 C79 C78 94.6(8) .
O21 N7 C79 C75 167.5(6) .
C73 N7 C79 C75 -21.7(9) .
N8 C75 C79 N7 22.9(7) .
C76 C75 C79 N7 140.3(7) .
C74 C75 C79 N7 -89.3(7) .
N8 C75 C79 C77 143.0(7) .
C76 C75 C79 C77 -99.7(9) .
C74 C75 C79 C77 30.8(10) .
N8 C75 C79 C78 -89.1(7) .
C76 C75 C79 C78 28.3(9) .
C74 C75 C79 C78 158.7(7) .
