#------------------------------------------------------------------------------
#$Date: 2022-03-23 01:55:20 +0200 (Wed, 23 Mar 2022) $
#$Revision: 273906 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/98/7709806.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_7709806
loop_
_publ_author_name
'Kim, Doheon'
'Gwak, Geonwoo'
'Han, Jihun'
'Kim, Dongwon'
'Jung, Ok-Sang'
_publ_section_title
;
 Structural properties of [Cu(II)3L6] cages: bridged polyatomic anion
 effects on unprecedented efficiency of heterogeneous catechol oxidation
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT00500J
_journal_year                    2022
_chemical_formula_sum            'C78 H96 Cu3 F30 N12 Sb4 Si7'
_chemical_formula_weight         2645.91
_space_group_crystal_system      orthorhombic
_space_group_IT_number           45
_space_group_name_Hall           'I 2 -2c'
_space_group_name_H-M_alt        'I b a 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2019/2
_audit_update_record
;
2022-03-15 deposited with the CCDC.	2022-03-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.392(9)
_cell_length_b                   37.04(2)
_cell_length_c                   24.939(9)
_cell_measurement_reflns_used    9936
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.89
_cell_measurement_theta_min      2.20
_cell_volume                     21608(16)
_computing_cell_refinement       'Bruker APEX4 software'
_computing_data_collection       'Bruker APEX4 software'
_computing_data_reduction        'Bruker APEX4 software'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Photon II detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2051
_diffrn_reflns_av_unetI/netI     0.1312
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            146919
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         2.000
_diffrn_source                   'Ius Microfocus'
_exptl_absorpt_coefficient_mu    1.737
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5119
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_description       block
_exptl_crystal_F_000             10456
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.130
_refine_diff_density_max         1.156
_refine_diff_density_min         -0.954
_refine_diff_density_rms         0.145
_refine_ls_abs_structure_details
;
 Flack x determined using 3306 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.008(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1127
_refine_ls_number_reflns         21212
_refine_ls_number_restraints     2441
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.2005
_refine_ls_R_factor_gt           0.0927
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1485P)²+34.9748P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2254
_refine_ls_wR_factor_ref         0.2975
_reflns_Friedel_coverage         0.951
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                9435
_reflns_number_total             21212
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00500j2.cif
_cod_data_source_block           CuSbF6
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        21609(17)
_cod_database_code               7709806
_shelx_shelxl_version_number     2019/2
_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   0.681
_shelx_estimated_absorpt_t_max   0.806
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'x+1, -y+1, z+1/2'
'-x+1, y+1, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.9297(3) 0.33605(18) 0.5822(3) 0.0691(16) Uani 1 1 d . U . . .
F1 F 0.7770(6) 0.3435(4) 0.4191(5) 0.083(3) Uani 1 1 d . U . . .
Cu1 Cu 0.58195(13) 0.36005(8) 0.46535(12) 0.0732(8) Uani 1 1 d . U . . .
Cu2 Cu 0.83410(13) 0.30361(8) 0.37803(12) 0.0748(8) Uani 1 1 d . U . . .
Si2 Si 0.6917(3) 0.3977(2) 0.6630(3) 0.0798(18) Uani 1 1 d . U . . .
C2 C 0.5919(11) 0.5370(7) 0.3546(13) 0.096(7) Uani 1 1 d . U . . .
H2A H 0.554675 0.528819 0.341360 0.144 Uiso 1 1 calc R U . . .
H2B H 0.586408 0.552320 0.386231 0.144 Uiso 1 1 calc R U . . .
H2C H 0.611255 0.550942 0.326477 0.144 Uiso 1 1 calc R U . . .
Si3 Si 0.6936(4) 0.2321(3) 0.5338(4) 0.116(3) Uani 1 1 d . U . . .
Cu3 Cu 0.83021(10) 0.46630(7) 0.50631(10) 0.0607(7) Uani 1 1 d . U . . .
Si4 Si 0.8966(4) 0.4411(2) 0.2902(3) 0.089(2) Uani 1 1 d . U . . .
Si5 Si 0.6452(4) 0.3402(2) 0.2463(3) 0.090(2) Uani 1 1 d . U . . .
Si6 Si 0.6376(3) 0.49614(18) 0.3734(3) 0.0750(18) Uani 1 1 d . U . . .
C6 C 0.9936(12) 0.3208(8) 0.6195(12) 0.095(6) Uani 1 1 d . U . . .
H6A H 1.024984 0.338423 0.614587 0.114 Uiso 1 1 calc R U . . .
H6B H 0.984676 0.319351 0.658219 0.114 Uiso 1 1 calc R U . . .
C7 C 0.6678(14) 0.4103(10) 0.7314(11) 0.108(8) Uani 1 1 d . U . . .
H7A H 0.632712 0.424626 0.729078 0.163 Uiso 1 1 calc R U . . .
H7B H 0.660428 0.388338 0.752248 0.163 Uiso 1 1 calc R U . . .
H7C H 0.697724 0.424493 0.749060 0.163 Uiso 1 1 calc R U . . .
Si7 Si 0.7460(2) 0.37888(14) 0.4518(2) 0.0517(12) Uani 1 1 d . U . . .
F8 F 0.7583(6) 0.3588(3) 0.5100(5) 0.074(3) Uani 1 1 d . U . . .
F9 F 0.7102(7) 0.4131(4) 0.4834(5) 0.093(4) Uani 1 1 d . U . . .
F10 F 0.8050(6) 0.4026(4) 0.4585(6) 0.102(4) Uani 1 1 d . U . . .
F11 F 0.7350(5) 0.3977(3) 0.3915(5) 0.075(3) Uani 1 1 d . U . . .
F12 F 0.6815(5) 0.3574(3) 0.4480(5) 0.076(3) Uani 1 1 d . U . . .
C57 C 0.9561(15) 0.4558(11) 0.2468(12) 0.133(9) Uani 1 1 d . U . . .
H57A H 0.989912 0.440965 0.254230 0.200 Uiso 1 1 calc R U . . .
H57B H 0.945080 0.452931 0.209134 0.200 Uiso 1 1 calc R U . . .
H57C H 0.964840 0.481162 0.254035 0.200 Uiso 1 1 calc R U . . .
C58 C 0.8684(12) 0.3078(7) 0.6014(11) 0.086(6) Uani 1 1 d . U . . .
H58A H 0.834314 0.315733 0.581746 0.129 Uiso 1 1 calc R U . . .
H58B H 0.876516 0.282518 0.592559 0.129 Uiso 1 1 calc R U . . .
H58C H 0.861542 0.310029 0.640002 0.129 Uiso 1 1 calc R U . . .
C64 C 0.6444(12) 0.4649(7) 0.3131(10) 0.092(6) Uani 1 1 d D U . . .
H64A H 0.669410 0.444391 0.322819 0.111 Uiso 1 1 calc R U . . .
H64B H 0.606202 0.455105 0.304331 0.111 Uiso 1 1 calc R U . . .
C65 C 0.6078(14) 0.3216(11) 0.1875(12) 0.123(9) Uani 1 1 d . U . . .
H65A H 0.586304 0.340890 0.169689 0.184 Uiso 1 1 calc R U . . .
H65B H 0.635816 0.311469 0.162519 0.184 Uiso 1 1 calc R U . . .
H65C H 0.581388 0.302620 0.199108 0.184 Uiso 1 1 calc R U . . .
C66 C 0.6953(14) 0.3789(9) 0.2308(14) 0.121(7) Uani 1 1 d D U . . .
H66A H 0.673904 0.401242 0.222490 0.145 Uiso 1 1 calc R U . . .
H66B H 0.721731 0.383526 0.261022 0.145 Uiso 1 1 calc R U . . .
C67 C 0.8303(14) 0.4665(9) 0.2806(14) 0.115(7) Uani 1 1 d . U . . .
H67A H 0.810562 0.457747 0.247967 0.138 Uiso 1 1 calc R U . . .
H67B H 0.804626 0.462502 0.311589 0.138 Uiso 1 1 calc R U . . .
C68 C 0.7561(12) 0.3713(9) 0.6653(12) 0.101(6) Uani 1 1 d . U . . .
H68A H 0.767602 0.364084 0.628666 0.121 Uiso 1 1 calc R U . . .
H68B H 0.787501 0.385563 0.681447 0.121 Uiso 1 1 calc R U . . .
C69 C 0.6709(16) 0.1855(9) 0.5497(18) 0.147(10) Uani 1 1 d . U . . .
H69A H 0.633927 0.186030 0.568082 0.220 Uiso 1 1 calc R U . . .
H69B H 0.667381 0.171577 0.516387 0.220 Uiso 1 1 calc R U . . .
H69C H 0.699466 0.174079 0.572940 0.220 Uiso 1 1 calc R U . . .
C70 C 0.6923(15) 0.2570(11) 0.6019(14) 0.134(7) Uani 1 1 d . U . . .
H70A H 0.706108 0.282009 0.596127 0.160 Uiso 1 1 calc R U . . .
H70B H 0.652125 0.258642 0.614117 0.160 Uiso 1 1 calc R U . . .
N11 N 0.5890(6) 0.3059(3) 0.4610(6) 0.078(4) Uani 1 1 d G U . . .
C52 C 0.6321(6) 0.2892(4) 0.4903(6) 0.078(5) Uani 1 1 d G U . . .
H52 H 0.657403 0.303274 0.511454 0.094 Uiso 1 1 calc R U . . .
C30 C 0.6381(7) 0.2519(4) 0.4885(8) 0.095(5) Uani 1 1 d G U . . .
C31 C 0.6011(9) 0.2313(3) 0.4575(9) 0.117(7) Uani 1 1 d G U . . .
H31 H 0.605193 0.205765 0.456343 0.140 Uiso 1 1 calc R U . . .
C32 C 0.5579(8) 0.2480(4) 0.4283(8) 0.117(8) Uani 1 1 d G U . . .
H32 H 0.532604 0.233878 0.407104 0.141 Uiso 1 1 calc R U . . .
C33 C 0.5519(7) 0.2853(4) 0.4300(7) 0.101(7) Uani 1 1 d G U . . .
H33 H 0.522414 0.296689 0.410039 0.121 Uiso 1 1 calc R U . . .
N10 N 0.5623(6) 0.3647(4) 0.3881(5) 0.078(4) Uani 1 1 d G U . . .
C3 C 0.5120(6) 0.3813(4) 0.3715(6) 0.091(5) Uani 1 1 d G U . . .
H3 H 0.485294 0.389671 0.397319 0.109 Uiso 1 1 calc R U . . .
C71 C 0.5009(6) 0.3856(4) 0.3171(7) 0.099(6) Uani 1 1 d G U . . .
H71 H 0.466571 0.396971 0.305788 0.119 Uiso 1 1 calc R U . . .
C72 C 0.5401(8) 0.3734(5) 0.2794(5) 0.096(6) Uani 1 1 d G U . . .
H72 H 0.532467 0.376324 0.242202 0.115 Uiso 1 1 calc R U . . .
C5 C 0.5903(7) 0.3568(5) 0.2960(5) 0.082(4) Uani 1 1 d G U . . .
C4 C 0.6015(5) 0.3524(4) 0.3503(6) 0.081(5) Uani 1 1 d G U . . .
H4 H 0.635812 0.341078 0.361679 0.097 Uiso 1 1 calc R U . . .
N1 N 0.8221(7) 0.2642(4) 0.4327(6) 0.081(4) Uani 1 1 d G U . . .
C25 C 0.7705(6) 0.2619(4) 0.4601(7) 0.085(5) Uani 1 1 d G U . . .
H25 H 0.740528 0.278390 0.452318 0.102 Uiso 1 1 calc R U . . .
C26 C 0.7627(6) 0.2354(5) 0.4990(7) 0.098(5) Uani 1 1 d G U . . .
C1 C 0.8065(8) 0.2113(4) 0.5104(7) 0.107(6) Uani 1 1 d G U . . .
H1 H 0.801126 0.193204 0.537004 0.129 Uiso 1 1 calc R U . . .
C27 C 0.8581(7) 0.2136(4) 0.4830(8) 0.106(6) Uani 1 1 d G U . . .
H27 H 0.887997 0.197042 0.490831 0.128 Uiso 1 1 calc R U . . .
C28 C 0.8659(6) 0.2400(4) 0.4441(7) 0.089(6) Uani 1 1 d G U . . .
H28 H 0.901134 0.241553 0.425401 0.107 Uiso 1 1 calc R U . . .
N6 N 0.9026(5) 0.3210(4) 0.4204(5) 0.071(4) Uani 1 1 d G U . . .
C20 C 0.9545(6) 0.3303(4) 0.3970(4) 0.073(5) Uani 1 1 d G U . . .
H20 H 0.958963 0.328980 0.359221 0.088 Uiso 1 1 calc R U . . .
C21 C 0.9998(4) 0.3415(4) 0.4290(5) 0.069(5) Uani 1 1 d G U . . .
H21 H 1.035281 0.347895 0.412982 0.082 Uiso 1 1 calc R U . . .
C22 C 0.9933(5) 0.3434(4) 0.4843(5) 0.068(5) Uani 1 1 d G U . . .
H22 H 1.024273 0.351105 0.506120 0.081 Uiso 1 1 calc R U . . .
C23 C 0.9414(6) 0.3341(4) 0.5077(4) 0.066(4) Uani 1 1 d G U . . .
C24 C 0.8961(4) 0.3229(4) 0.4757(5) 0.067(4) Uani 1 1 d G U . . .
H24 H 0.860627 0.316486 0.491736 0.080 Uiso 1 1 calc R U . . .
N5 N 0.7634(5) 0.4693(4) 0.5562(5) 0.067(4) Uani 1 1 d G U . . .
C34 C 0.7360(6) 0.5018(3) 0.5671(6) 0.081(5) Uani 1 1 d G U . . .
H34 H 0.746150 0.522942 0.547855 0.097 Uiso 1 1 calc R U . . .
C35 C 0.6937(7) 0.5032(4) 0.6062(7) 0.102(7) Uani 1 1 d G U . . .
H35 H 0.674996 0.525426 0.613703 0.123 Uiso 1 1 calc R U . . .
C36 C 0.6789(6) 0.4722(5) 0.6344(6) 0.102(7) Uani 1 1 d G U . . .
H36 H 0.650007 0.473257 0.661138 0.122 Uiso 1 1 calc R U . . .
C37 C 0.7063(7) 0.4398(4) 0.6235(6) 0.077(4) Uani 1 1 d G U . . .
C38 C 0.7486(6) 0.4383(3) 0.5844(6) 0.070(5) Uani 1 1 d G U . . .
H38 H 0.767326 0.416119 0.576878 0.084 Uiso 1 1 calc R U . . .
N3 N 0.7918(5) 0.4990(3) 0.4531(5) 0.062(4) Uani 1 1 d G U . . .
C47 C 0.7376(5) 0.4895(3) 0.4353(6) 0.069(5) Uani 1 1 d G U . . .
H47 H 0.719927 0.468031 0.448122 0.083 Uiso 1 1 calc R U . . .
C48 C 0.7091(5) 0.5113(4) 0.3987(6) 0.073(5) Uani 1 1 d G U . . .
C49 C 0.7349(6) 0.5427(4) 0.3800(6) 0.080(6) Uani 1 1 d G U . . .
H49 H 0.715419 0.557659 0.355004 0.097 Uiso 1 1 calc R U . . .
C50 C 0.7891(6) 0.5522(3) 0.3978(6) 0.083(6) Uani 1 1 d G U . . .
H50 H 0.806756 0.573631 0.385028 0.099 Uiso 1 1 calc R U . . .
C51 C 0.8176(5) 0.5303(4) 0.4344(6) 0.070(5) Uani 1 1 d G U . . .
H51 H 0.854679 0.536803 0.446600 0.084 Uiso 1 1 calc R U . . .
N7 N 0.8553(6) 0.3350(4) 0.3152(5) 0.074(4) Uani 1 1 d G U . . .
C16 C 0.8633(7) 0.3195(3) 0.2651(6) 0.089(5) Uani 1 1 d G U . . .
H16 H 0.856280 0.294433 0.259978 0.107 Uiso 1 1 calc R U . . .
C17 C 0.8817(8) 0.3406(5) 0.2223(5) 0.094(6) Uani 1 1 d G U . . .
H17 H 0.887223 0.329952 0.188018 0.113 Uiso 1 1 calc R U . . .
C18 C 0.8921(7) 0.3772(4) 0.2298(5) 0.092(6) Uani 1 1 d G U . . .
H18 H 0.904619 0.391586 0.200542 0.110 Uiso 1 1 calc R U . . .
C11 C 0.8840(7) 0.3927(3) 0.2799(6) 0.076(4) Uani 1 1 d G U . . .
C19 C 0.8656(7) 0.3716(4) 0.3227(4) 0.073(5) Uani 1 1 d G U . . .
H19 H 0.860131 0.382184 0.356989 0.087 Uiso 1 1 calc R U . . .
N12 N 0.5790(5) 0.4139(3) 0.4719(6) 0.064(3) Uani 1 1 d G U . . .
C29 C 0.5562(6) 0.4319(4) 0.5159(5) 0.080(5) Uani 1 1 d G U . . .
H29 H 0.540352 0.418634 0.544828 0.096 Uiso 1 1 calc R U . . .
C53 C 0.5566(7) 0.4695(4) 0.5174(6) 0.090(6) Uani 1 1 d G U . . .
H53 H 0.541072 0.481778 0.547487 0.108 Uiso 1 1 calc R U . . .
C54 C 0.5799(7) 0.4889(3) 0.4751(7) 0.082(5) Uani 1 1 d G U . . .
H54 H 0.580145 0.514561 0.476145 0.099 Uiso 1 1 calc R U . . .
C55 C 0.6026(6) 0.4709(3) 0.4311(6) 0.069(4) Uani 1 1 d G U . . .
C56 C 0.6022(5) 0.4334(3) 0.4295(5) 0.062(4) Uani 1 1 d G U . . .
H56 H 0.617778 0.421057 0.399484 0.074 Uiso 1 1 calc R U . . .
N4 N 0.8943(4) 0.4585(3) 0.4537(4) 0.059(3) Uani 1 1 d G U . . .
C42 C 0.8793(4) 0.4532(4) 0.4004(5) 0.057(4) Uani 1 1 d G U . . .
H42 H 0.840270 0.453990 0.389969 0.068 Uiso 1 1 calc R U . . .
C43 C 0.9215(6) 0.4469(4) 0.3623(4) 0.066(4) Uani 1 1 d G U . . .
C44 C 0.9786(5) 0.4457(4) 0.3775(5) 0.072(5) Uani 1 1 d G U . . .
H44 H 1.007407 0.441389 0.351437 0.086 Uiso 1 1 calc R U . . .
C45 C 0.9936(4) 0.4510(4) 0.4309(5) 0.072(5) Uani 1 1 d G U . . .
H45 H 1.032627 0.450270 0.441272 0.086 Uiso 1 1 calc R U . . .
C46 C 0.9514(5) 0.4574(4) 0.4690(4) 0.067(5) Uani 1 1 d G U . . .
H46 H 0.961669 0.461011 0.505457 0.081 Uiso 1 1 calc R U . . .
N13 N 0.5879(6) 0.3558(4) 0.5439(4) 0.077(4) Uani 1 1 d G U . . .
C59 C 0.5483(5) 0.3349(4) 0.5717(6) 0.076(5) Uani 1 1 d G U . . .
H59 H 0.519390 0.322237 0.552668 0.092 Uiso 1 1 calc R U . . .
C60 C 0.5511(6) 0.3325(4) 0.6272(6) 0.096(6) Uani 1 1 d G U . . .
H60 H 0.524097 0.318247 0.646205 0.115 Uiso 1 1 calc R U . . .
C61 C 0.5935(7) 0.3510(5) 0.6551(4) 0.086(6) Uani 1 1 d G U . . .
H61 H 0.595379 0.349391 0.693042 0.103 Uiso 1 1 calc R U . . .
C62 C 0.6330(6) 0.3719(4) 0.6273(5) 0.079(5) Uani 1 1 d G U . . .
C63 C 0.6302(5) 0.3743(4) 0.5718(5) 0.073(5) Uani 1 1 d G U . . .
H63 H 0.657249 0.388516 0.552803 0.087 Uiso 1 1 calc R U . . .
N8 N 0.7647(6) 0.2862(4) 0.3371(6) 0.087(4) Uani 1 1 d G U . . .
C9 C 0.7523(8) 0.2500(4) 0.3287(8) 0.108(7) Uani 1 1 d G U . . .
H9 H 0.774997 0.231882 0.345349 0.130 Uiso 1 1 calc R U . . .
C12 C 0.7069(9) 0.2402(3) 0.2959(9) 0.120(7) Uani 1 1 d G U . . .
H12 H 0.698470 0.215397 0.290105 0.144 Uiso 1 1 calc R U . . .
C13 C 0.6737(7) 0.2667(5) 0.2715(8) 0.104(7) Uani 1 1 d G U . . .
H13 H 0.642667 0.259964 0.249089 0.125 Uiso 1 1 calc R U . . .
C14 C 0.6860(7) 0.3029(4) 0.2800(7) 0.087(5) Uani 1 1 d G U . . .
C15 C 0.7315(7) 0.3127(3) 0.3128(7) 0.079(5) Uani 1 1 d G U . . .
H15 H 0.739919 0.337504 0.318560 0.095 Uiso 1 1 calc R U . . .
N2 N 0.8748(5) 0.4408(3) 0.5626(4) 0.062(3) Uani 1 1 d G U . . .
C8 C 0.8882(6) 0.4045(3) 0.5557(4) 0.057(4) Uani 1 1 d G U . . .
H8 H 0.879131 0.392725 0.522962 0.068 Uiso 1 1 calc R U . . .
C10 C 0.9147(6) 0.3854(3) 0.5968(5) 0.064(4) Uani 1 1 d G U . . .
C41 C 0.9280(7) 0.4027(4) 0.6447(5) 0.085(6) Uani 1 1 d G U . . .
H41 H 0.946130 0.389630 0.672767 0.102 Uiso 1 1 calc R U . . .
C40 C 0.9146(7) 0.4389(4) 0.6516(4) 0.086(6) Uani 1 1 d G U . . .
H40 H 0.923625 0.450681 0.684405 0.103 Uiso 1 1 calc R U . . .
C39 C 0.8880(7) 0.4580(3) 0.6106(5) 0.071(5) Uani 1 1 d G U . . .
H39 H 0.878872 0.482754 0.615322 0.085 Uiso 1 1 calc R U . . .
C73 C 0.669(2) 0.4836(13) 0.2630(14) 0.182(16) Uani 1 1 d D U . . .
H73A H 0.671353 0.466122 0.233598 0.273 Uiso 1 1 calc R U . . .
H73B H 0.643992 0.503604 0.252561 0.273 Uiso 1 1 calc R U . . .
H73C H 0.707260 0.492880 0.271066 0.273 Uiso 1 1 calc R U . . .
C74 C 0.727(2) 0.3648(13) 0.1815(18) 0.191(16) Uani 1 1 d D U . . .
H74A H 0.755054 0.382913 0.169648 0.286 Uiso 1 1 calc R U . . .
H74B H 0.747407 0.342416 0.190818 0.286 Uiso 1 1 calc R U . . .
H74C H 0.699992 0.359979 0.152617 0.286 Uiso 1 1 calc R U . . .
C75 C 0.842(2) 0.5045(12) 0.275(2) 0.201(17) Uani 1 1 d . U . . .
H75A H 0.805884 0.517561 0.270168 0.301 Uiso 1 1 calc R U . . .
H75B H 0.860876 0.513239 0.307798 0.301 Uiso 1 1 calc R U . . .
H75C H 0.866803 0.508490 0.244259 0.301 Uiso 1 1 calc R U . . .
C76 C 1.0136(19) 0.2813(10) 0.5977(19) 0.168(15) Uani 1 1 d . U . . .
H76A H 1.047460 0.273398 0.617541 0.252 Uiso 1 1 calc R U . . .
H76B H 0.982548 0.263932 0.602944 0.252 Uiso 1 1 calc R U . . .
H76C H 1.022769 0.282962 0.559406 0.252 Uiso 1 1 calc R U . . .
C77 C 0.725(2) 0.2415(16) 0.6436(17) 0.192(16) Uani 1 1 d . U . . .
H77A H 0.721321 0.256194 0.676048 0.288 Uiso 1 1 calc R U . . .
H77B H 0.711080 0.217005 0.650801 0.288 Uiso 1 1 calc R U . . .
H77C H 0.765232 0.240446 0.632755 0.288 Uiso 1 1 calc R U . . .
C78 C 0.7423(19) 0.3343(12) 0.7032(18) 0.165(14) Uani 1 1 d . U . . .
H78A H 0.776746 0.319226 0.705239 0.248 Uiso 1 1 calc R U . . .
H78B H 0.731069 0.341754 0.739335 0.248 Uiso 1 1 calc R U . . .
H78C H 0.711252 0.320364 0.686771 0.248 Uiso 1 1 calc R U . . .
F1A F 0.8943(11) 0.3289(8) 0.8410(9) 0.170(6) Uani 1 1 d . U . . .
Sb1A Sb 0.88953(10) 0.37090(8) 0.80323(8) 0.1227(9) Uani 1 1 d . U . . .
F2A F 0.8151(10) 0.3785(9) 0.8075(11) 0.202(7) Uani 1 1 d . U . . .
F3A F 0.8891(14) 0.4125(9) 0.7702(10) 0.197(7) Uani 1 1 d . U . . .
F4A F 0.9684(8) 0.3678(6) 0.7994(8) 0.140(5) Uani 1 1 d . U . . .
F5A F 0.9008(8) 0.3976(6) 0.8648(7) 0.131(5) Uani 1 1 d . U . . .
F6A F 0.8822(10) 0.3481(8) 0.7397(9) 0.174(7) Uani 1 1 d . U . . .
F1B F 0.8763(11) 0.5505(6) 0.6338(8) 0.151(6) Uani 1 1 d . U . . .
Sb1B Sb 0.88958(8) 0.57073(4) 0.56931(7) 0.0798(5) Uani 1 1 d . U . . .
F2B F 0.8102(9) 0.5784(5) 0.5580(9) 0.141(5) Uani 1 1 d . U . . .
F3B F 0.9031(9) 0.5894(5) 0.5026(7) 0.130(5) Uani 1 1 d . U . . .
F4B F 0.9631(10) 0.5625(6) 0.5771(11) 0.168(6) Uani 1 1 d . U . . .
F5B F 0.8806(8) 0.5245(4) 0.5393(7) 0.111(5) Uani 1 1 d . U . . .
F6B F 0.8993(10) 0.6166(5) 0.5996(8) 0.137(6) Uani 1 1 d . U . . .
Sb1C Sb 0.43797(10) 0.27631(6) 0.28611(9) 0.1137(8) Uani 1 1 d . U . A 1
F1C F 0.5105(17) 0.2357(10) 0.2799(17) 0.267(11) Uani 1 1 d . U . A 1
F2C F 0.3841(13) 0.2504(8) 0.3271(10) 0.204(8) Uani 1 1 d . U . A 1
F3C F 0.3824(11) 0.3147(8) 0.2778(11) 0.184(7) Uani 1 1 d . U . A 1
F4C F 0.4774(10) 0.3082(6) 0.2422(9) 0.163(6) Uani 1 1 d . U . A 1
F5C F 0.4008(12) 0.2594(7) 0.2276(9) 0.176(6) Uani 1 1 d . U . A 1
F6C F 0.4528(10) 0.3001(6) 0.3490(8) 0.154(6) Uani 1 1 d . U . A 1
Sb1D Sb 0.3991(2) 0.38998(12) 0.5278(3) 0.160(3) Uani 0.525(6) 1 d . U P B 2
F1D F 0.4573(13) 0.3593(7) 0.4914(17) 0.126(7) Uani 0.525(6) 1 d . U P B 2
F2D F 0.4278(19) 0.4253(10) 0.479(3) 0.177(9) Uani 0.525(6) 1 d . U P B 2
F3D F 0.351(2) 0.4101(15) 0.569(3) 0.213(10) Uani 0.525(6) 1 d . U P B 2
F4D F 0.383(2) 0.3434(13) 0.567(3) 0.188(10) Uani 0.525(6) 1 d . U P B 2
F5D F 0.4556(19) 0.3950(11) 0.590(2) 0.174(9) Uani 0.525(6) 1 d . U P B 2
F6D F 0.3567(18) 0.3729(13) 0.460(2) 0.184(9) Uani 0.525(6) 1 d . U P B 2
Sb1E Sb 0.52569(18) 0.45829(13) 0.16751(19) 0.109(2) Uani 0.475(6) 1 d . U P B 3
F1E F 0.5641(18) 0.4995(14) 0.197(2) 0.156(10) Uani 0.475(6) 1 d . U P B 3
F2E F 0.5605(18) 0.4604(12) 0.097(2) 0.145(9) Uani 0.475(6) 1 d . U P B 3
F3E F 0.4822(19) 0.4191(13) 0.139(2) 0.156(8) Uani 0.475(6) 1 d . U P B 3
F4E F 0.489(2) 0.4502(12) 0.2317(18) 0.145(8) Uani 0.475(6) 1 d . U P B 3
F5E F 0.583(2) 0.4279(13) 0.189(2) 0.162(9) Uani 0.475(6) 1 d . U P B 3
F6E F 0.4557(18) 0.4661(15) 0.147(2) 0.156(8) Uani 0.475(6) 1 d . U P B 3
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C58 Si1 C6 109.1(13) . . ?
C58 Si1 C23 110.4(10) . . ?
C6 Si1 C23 111.6(11) . . ?
C58 Si1 C10 110.8(10) . . ?
C6 Si1 C10 110.4(11) . . ?
C23 Si1 C10 104.6(7) . . ?
Si7 F1 Cu2 168.3(9) . . ?
N13 Cu1 N10 170.7(6) . . ?
N13 Cu1 N12 90.1(6) . . ?
N10 Cu1 N12 89.1(6) . . ?
N13 Cu1 N11 88.1(6) . . ?
N10 Cu1 N11 93.0(6) . . ?
N12 Cu1 N11 176.9(6) . . ?
N13 Cu1 F12 96.3(5) . . ?
N10 Cu1 F12 93.1(6) . . ?
N12 Cu1 F12 95.2(5) . . ?
N11 Cu1 F12 82.5(6) . . ?
N7 Cu2 N1 168.0(6) . . ?
N7 Cu2 N8 89.4(6) . . ?
N1 Cu2 N8 89.9(6) . . ?
N7 Cu2 N6 91.6(6) . . ?
N1 Cu2 N6 89.3(6) . . ?
N8 Cu2 N6 178.8(6) . . ?
N7 Cu2 F1 97.0(5) . . ?
N1 Cu2 F1 94.9(6) . . ?
N8 Cu2 F1 87.8(6) . . ?
N6 Cu2 F1 91.4(5) . . ?
C68 Si2 C7 111.0(15) . . ?
C68 Si2 C37 108.4(11) . . ?
C7 Si2 C37 109.3(13) . . ?
C68 Si2 C62 110.3(13) . . ?
C7 Si2 C62 109.9(12) . . ?
C37 Si2 C62 107.8(8) . . ?
Si6 C2 H2A 109.5 . . ?
Si6 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si6 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C26 Si3 C69 114.6(15) . . ?
C26 Si3 C30 107.4(10) . . ?
C69 Si3 C30 107.2(13) . . ?
C26 Si3 C70 113.3(14) . . ?
C69 Si3 C70 104.7(19) . . ?
C30 Si3 C70 109.4(13) . . ?
N2 Cu3 N5 89.8(5) . . ?
N2 Cu3 N3 171.1(5) . . ?
N5 Cu3 N3 91.6(5) . . ?
N2 Cu3 N4 90.1(5) . . ?
N5 Cu3 N4 174.3(5) . . ?
N3 Cu3 N4 89.4(5) . . ?
C67 Si4 C11 110.4(12) . . ?
C67 Si4 C57 114.2(18) . . ?
C11 Si4 C57 109.1(14) . . ?
C67 Si4 C43 109.0(13) . . ?
C11 Si4 C43 107.0(7) . . ?
C57 Si4 C43 106.9(11) . . ?
C65 Si5 C14 108.8(14) . . ?
C65 Si5 C66 114.5(17) . . ?
C14 Si5 C66 109.4(13) . . ?
C65 Si5 C5 108.8(12) . . ?
C14 Si5 C5 107.0(9) . . ?
C66 Si5 C5 108.0(13) . . ?
C48 Si6 C55 106.0(7) . . ?
C48 Si6 C64 112.0(11) . . ?
C55 Si6 C64 109.6(9) . . ?
C48 Si6 C2 110.1(10) . . ?
C55 Si6 C2 109.5(11) . . ?
C64 Si6 C2 109.5(13) . . ?
C76 C6 Si1 110(2) . . ?
C76 C6 H6A 109.7 . . ?
Si1 C6 H6A 109.7 . . ?
C76 C6 H6B 109.7 . . ?
Si1 C6 H6B 109.7 . . ?
H6A C6 H6B 108.2 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
F10 Si7 F8 90.2(7) . . ?
F10 Si7 F11 89.9(7) . . ?
F8 Si7 F11 177.5(8) . . ?
F10 Si7 F12 174.7(9) . . ?
F8 Si7 F12 89.6(7) . . ?
F11 Si7 F12 90.5(7) . . ?
F10 Si7 F1 95.8(8) . . ?
F8 Si7 F1 89.9(7) . . ?
F11 Si7 F1 87.5(7) . . ?
F12 Si7 F1 89.5(7) . . ?
F10 Si7 F9 88.2(9) . . ?
F8 Si7 F9 90.8(7) . . ?
F11 Si7 F9 91.7(7) . . ?
F12 Si7 F9 86.5(8) . . ?
F1 Si7 F9 176.0(8) . . ?
Si7 F12 Cu1 146.9(8) . . ?
Si4 C57 H57A 109.5 . . ?
Si4 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
Si4 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
Si1 C58 H58A 109.5 . . ?
Si1 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
Si1 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C73 C64 Si6 114(2) . . ?
C73 C64 H64A 108.9 . . ?
Si6 C64 H64A 108.9 . . ?
C73 C64 H64B 108.9 . . ?
Si6 C64 H64B 108.9 . . ?
H64A C64 H64B 107.7 . . ?
Si5 C65 H65A 109.5 . . ?
Si5 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
Si5 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C74 C66 Si5 102(3) . . ?
C74 C66 H66A 111.3 . . ?
Si5 C66 H66A 111.4 . . ?
C74 C66 H66B 111.4 . . ?
Si5 C66 H66B 111.4 . . ?
H66A C66 H66B 109.2 . . ?
C75 C67 Si4 111(3) . . ?
C75 C67 H67A 109.5 . . ?
Si4 C67 H67A 109.5 . . ?
C75 C67 H67B 109.5 . . ?
Si4 C67 H67B 109.5 . . ?
H67A C67 H67B 108.1 . . ?
C78 C68 Si2 107(2) . . ?
C78 C68 H68A 110.2 . . ?
Si2 C68 H68A 110.2 . . ?
C78 C68 H68B 110.2 . . ?
Si2 C68 H68B 110.2 . . ?
H68A C68 H68B 108.5 . . ?
Si3 C69 H69A 109.5 . . ?
Si3 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
Si3 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C77 C70 Si3 116(3) . . ?
C77 C70 H70A 108.2 . . ?
Si3 C70 H70A 108.2 . . ?
C77 C70 H70B 108.2 . . ?
Si3 C70 H70B 108.2 . . ?
H70A C70 H70B 107.4 . . ?
C52 N11 C33 120.0 . . ?
C52 N11 Cu1 118.3(8) . . ?
C33 N11 Cu1 121.7(8) . . ?
C30 C52 N11 120.0 . . ?
C30 C52 H52 120.0 . . ?
N11 C52 H52 120.0 . . ?
C52 C30 C31 120.0 . . ?
C52 C30 Si3 116.2(10) . . ?
C31 C30 Si3 123.6(9) . . ?
C32 C31 C30 120.0 . . ?
C32 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 N11 120.0 . . ?
C32 C33 H33 120.0 . . ?
N11 C33 H33 120.0 . . ?
C3 N10 C4 120.0 . . ?
C3 N10 Cu1 121.5(8) . . ?
C4 N10 Cu1 118.4(8) . . ?
C71 C3 N10 120.0 . . ?
C71 C3 H3 120.0 . . ?
N10 C3 H3 120.0 . . ?
C72 C71 C3 120.0 . . ?
C72 C71 H71 120.0 . . ?
C3 C71 H71 120.0 . . ?
C71 C72 C5 120.0 . . ?
C71 C72 H72 120.0 . . ?
C5 C72 H72 120.0 . . ?
C4 C5 C72 120.0 . . ?
C4 C5 Si5 118.4(9) . . ?
C72 C5 Si5 121.6(9) . . ?
C5 C4 N10 120.0 . . ?
C5 C4 H4 120.0 . . ?
N10 C4 H4 120.0 . . ?
C25 N1 C28 120.0 . . ?
C25 N1 Cu2 119.8(8) . . ?
C28 N1 Cu2 120.1(8) . . ?
N1 C25 C26 120.0 . . ?
N1 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C1 C26 C25 120.0 . . ?
C1 C26 Si3 120.5(10) . . ?
C25 C26 Si3 119.5(10) . . ?
C26 C1 C27 120.0 . . ?
C26 C1 H1 120.0 . . ?
C27 C1 H1 120.0 . . ?
C28 C27 C1 120.0 . . ?
C28 C27 H27 120.0 . . ?
C1 C27 H27 120.0 . . ?
C27 C28 N1 120.0 . . ?
C27 C28 H28 120.0 . . ?
N1 C28 H28 120.0 . . ?
C20 N6 C24 120.0 . . ?
C20 N6 Cu2 123.4(7) . . ?
C24 N6 Cu2 116.6(7) . . ?
N6 C20 C21 120.0 . . ?
N6 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C24 C23 C22 120.0 . . ?
C24 C23 Si1 117.8(8) . . ?
C22 C23 Si1 122.2(8) . . ?
C23 C24 N6 120.0 . . ?
C23 C24 H24 120.0 . . ?
N6 C24 H24 120.0 . . ?
C34 N5 C38 120.0 . . ?
C34 N5 Cu3 122.0(7) . . ?
C38 N5 Cu3 117.6(7) . . ?
N5 C34 C35 120.0 . . ?
N5 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C35 C36 120.0 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C37 C36 C35 120.0 . . ?
C37 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C36 C37 C38 120.0 . . ?
C36 C37 Si2 122.1(9) . . ?
C38 C37 Si2 117.8(9) . . ?
C37 C38 N5 120.0 . . ?
C37 C38 H38 120.0 . . ?
N5 C38 H38 120.0 . . ?
C47 N3 C51 120.0 . . ?
C47 N3 Cu3 117.9(6) . . ?
C51 N3 Cu3 122.1(6) . . ?
C48 C47 N3 120.0 . . ?
C48 C47 H47 120.0 . . ?
N3 C47 H47 120.0 . . ?
C47 C48 C49 120.0 . . ?
C47 C48 Si6 118.3(7) . . ?
C49 C48 Si6 121.7(7) . . ?
C48 C49 C50 120.0 . . ?
C48 C49 H49 120.0 . . ?
C50 C49 H49 120.0 . . ?
C51 C50 C49 120.0 . . ?
C51 C50 H50 120.0 . . ?
C49 C50 H50 120.0 . . ?
C50 C51 N3 120.0 . . ?
C50 C51 H51 120.0 . . ?
N3 C51 H51 120.0 . . ?
C16 N7 C19 120.0 . . ?
C16 N7 Cu2 119.7(8) . . ?
C19 N7 Cu2 120.2(8) . . ?
N7 C16 C17 120.0 . . ?
N7 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 C18 120.0 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C11 C18 C17 120.0 . . ?
C11 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C19 C11 C18 120.0 . . ?
C19 C11 Si4 119.5(8) . . ?
C18 C11 Si4 120.5(8) . . ?
C11 C19 N7 120.0 . . ?
C11 C19 H19 120.0 . . ?
N7 C19 H19 120.0 . . ?
C29 N12 C56 120.0 . . ?
C29 N12 Cu1 123.8(7) . . ?
C56 N12 Cu1 116.2(7) . . ?
N12 C29 C53 120.0 . . ?
N12 C29 H29 120.0 . . ?
C53 C29 H29 120.0 . . ?
C29 C53 C54 120.0 . . ?
C29 C53 H53 120.0 . . ?
C54 C53 H53 120.0 . . ?
C55 C54 C53 120.0 . . ?
C55 C54 H54 120.0 . . ?
C53 C54 H54 120.0 . . ?
C54 C55 C56 120.0 . . ?
C54 C55 Si6 121.7(8) . . ?
C56 C55 Si6 118.2(8) . . ?
C55 C56 N12 120.0 . . ?
C55 C56 H56 120.0 . . ?
N12 C56 H56 120.0 . . ?
C42 N4 C46 120.0 . . ?
C42 N4 Cu3 117.1(6) . . ?
C46 N4 Cu3 122.9(6) . . ?
N4 C42 C43 120.0 . . ?
N4 C42 H42 120.0 . . ?
C43 C42 H42 120.0 . . ?
C44 C43 C42 120.0 . . ?
C44 C43 Si4 123.3(8) . . ?
C42 C43 Si4 116.7(8) . . ?
C43 C44 C45 120.0 . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C46 C45 C44 120.0 . . ?
C46 C45 H45 120.0 . . ?
C44 C45 H45 120.0 . . ?
C45 C46 N4 120.0 . . ?
C45 C46 H46 120.0 . . ?
N4 C46 H46 120.0 . . ?
C59 N13 C63 120.0 . . ?
C59 N13 Cu1 119.5(7) . . ?
C63 N13 Cu1 120.4(7) . . ?
C60 C59 N13 120.0 . . ?
C60 C59 H59 120.0 . . ?
N13 C59 H59 120.0 . . ?
C59 C60 C61 120.0 . . ?
C59 C60 H60 120.0 . . ?
C61 C60 H60 120.0 . . ?
C60 C61 C62 120.0 . . ?
C60 C61 H61 120.0 . . ?
C62 C61 H61 120.0 . . ?
C63 C62 C61 120.0 . . ?
C63 C62 Si2 118.0(8) . . ?
C61 C62 Si2 122.0(8) . . ?
C62 C63 N13 120.0 . . ?
C62 C63 H63 120.0 . . ?
N13 C63 H63 120.0 . . ?
C9 N8 C15 120.0 . . ?
C9 N8 Cu2 123.4(9) . . ?
C15 N8 Cu2 116.4(9) . . ?
C12 C9 N8 120.0 . . ?
C12 C9 H9 120.0 . . ?
N8 C9 H9 120.0 . . ?
C9 C12 C13 120.0 . . ?
C9 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C14 C13 C12 120.0 . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 120.0 . . ?
C13 C14 Si5 122.5(9) . . ?
C15 C14 Si5 117.4(9) . . ?
C14 C15 N8 120.0 . . ?
C14 C15 H15 120.0 . . ?
N8 C15 H15 120.0 . . ?
C8 N2 C39 120.0 . . ?
C8 N2 Cu3 119.3(6) . . ?
C39 N2 Cu3 120.4(6) . . ?
N2 C8 C10 120.0 . . ?
N2 C8 H8 120.0 . . ?
C10 C8 H8 120.0 . . ?
C41 C10 C8 120.0 . . ?
C41 C10 Si1 124.4(7) . . ?
C8 C10 Si1 115.6(7) . . ?
C10 C41 C40 120.0 . . ?
C10 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C41 C40 C39 120.0 . . ?
C41 C40 H40 120.0 . . ?
C39 C40 H40 120.0 . . ?
C40 C39 N2 120.0 . . ?
C40 C39 H39 120.0 . . ?
N2 C39 H39 120.0 . . ?
C64 C73 H73A 109.5 . . ?
C64 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C64 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C66 C74 H74A 109.5 . . ?
C66 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C66 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C67 C75 H75A 109.5 . . ?
C67 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C67 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C6 C76 H76A 109.5 . . ?
C6 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C6 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C70 C77 H77A 109.5 . . ?
C70 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C70 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C68 C78 H78A 109.5 . . ?
C68 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C68 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
F3A Sb1A F2A 83.2(15) . . ?
F3A Sb1A F6A 89.9(13) . . ?
F2A Sb1A F6A 91.9(11) . . ?
F3A Sb1A F1A 175.6(13) . . ?
F2A Sb1A F1A 99.5(14) . . ?
F6A Sb1A F1A 93.5(12) . . ?
F3A Sb1A F5A 85.4(12) . . ?
F2A Sb1A F5A 90.3(10) . . ?
F6A Sb1A F5A 174.5(13) . . ?
F1A Sb1A F5A 91.1(10) . . ?
F3A Sb1A F4A 92.1(13) . . ?
F2A Sb1A F4A 174.3(13) . . ?
F6A Sb1A F4A 91.2(10) . . ?
F1A Sb1A F4A 85.0(11) . . ?
F5A Sb1A F4A 86.2(8) . . ?
F4B Sb1B F1B 89.9(12) . . ?
F4B Sb1B F3B 89.8(12) . . ?
F1B Sb1B F3B 177.7(9) . . ?
F4B Sb1B F6B 89.7(10) . . ?
F1B Sb1B F6B 92.2(9) . . ?
F3B Sb1B F6B 90.1(8) . . ?
F4B Sb1B F5B 89.7(9) . . ?
F1B Sb1B F5B 87.6(9) . . ?
F3B Sb1B F5B 90.1(7) . . ?
F6B Sb1B F5B 179.4(10) . . ?
F4B Sb1B F2B 177.4(11) . . ?
F1B Sb1B F2B 91.5(11) . . ?
F3B Sb1B F2B 88.7(10) . . ?
F6B Sb1B F2B 92.5(10) . . ?
F5B Sb1B F2B 88.1(8) . . ?
F5C Sb1C F6C 161.4(13) . . ?
F5C Sb1C F4C 89.1(10) . . ?
F6C Sb1C F4C 96.0(9) . . ?
F5C Sb1C F2C 86.5(10) . . ?
F6C Sb1C F2C 84.7(10) . . ?
F4C Sb1C F2C 167.4(14) . . ?
F5C Sb1C F3C 81.1(13) . . ?
F6C Sb1C F3C 82.3(11) . . ?
F4C Sb1C F3C 78.6(12) . . ?
F2C Sb1C F3C 89.0(14) . . ?
F5C Sb1C F1C 94.2(15) . . ?
F6C Sb1C F1C 103.6(13) . . ?
F4C Sb1C F1C 90.5(14) . . ?
F2C Sb1C F1C 101.6(15) . . ?
F3C Sb1C F1C 168.2(14) . . ?
F3D Sb1D F2D 109(2) . . ?
F3D Sb1D F1D 168(3) . . ?
F2D Sb1D F1D 82.0(16) . . ?
F3D Sb1D F4D 88(3) . . ?
F2D Sb1D F4D 163.9(19) . . ?
F1D Sb1D F4D 82.0(17) . . ?
F3D Sb1D F5D 86(3) . . ?
F2D Sb1D F5D 101(2) . . ?
F1D Sb1D F5D 87.4(18) . . ?
F4D Sb1D F5D 80(2) . . ?
F3D Sb1D F6D 109(2) . . ?
F2D Sb1D F6D 82(2) . . ?
F1D Sb1D F6D 77.2(17) . . ?
F4D Sb1D F6D 93(2) . . ?
F5D Sb1D F6D 164.0(17) . . ?
F6E Sb1E F4E 82(2) . . ?
F6E Sb1E F5E 151(2) . . ?
F4E Sb1E F5E 89(2) . . ?
F6E Sb1E F3E 61(2) . . ?
F4E Sb1E F3E 87(2) . . ?
F5E Sb1E F3E 92(2) . . ?
F6E Sb1E F1E 115(2) . . ?
F4E Sb1E F1E 91(2) . . ?
F5E Sb1E F1E 92(2) . . ?
F3E Sb1E F1E 176(2) . . ?
F6E Sb1E F2E 97(2) . . ?
F4E Sb1E F2E 172(2) . . ?
F5E Sb1E F2E 89(2) . . ?
F3E Sb1E F2E 86(2) . . ?
F1E Sb1E F2E 97(2) . . ?
F6E Sb1E Sb1E 60.3(18) . 2_665 ?
F4E Sb1E Sb1E 89.1(15) . 2_665 ?
F5E Sb1E Sb1E 147.2(17) . 2_665 ?
F3E Sb1E Sb1E 121.1(15) . 2_665 ?
F1E Sb1E Sb1E 55.1(15) . 2_665 ?
F2E Sb1E Sb1E 96.6(13) . 2_665 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 C58 1.84(3) . ?
Si1 C6 1.85(3) . ?
Si1 C23 1.881(12) . ?
Si1 C10 1.898(12) . ?
F1 Si7 1.706(14) . ?
F1 Cu2 2.239(13) . ?
Cu1 N13 1.971(11) . ?
Cu1 N10 1.988(12) . ?
Cu1 N12 2.003(10) . ?
Cu1 N11 2.016(11) . ?
Cu1 F12 2.371(12) . ?
Cu2 N7 2.012(11) . ?
Cu2 N1 2.018(12) . ?
Cu2 N8 2.023(12) . ?
Cu2 N6 2.025(10) . ?
Si2 C68 1.80(3) . ?
Si2 C7 1.85(3) . ?
Si2 C37 1.875(14) . ?
Si2 C62 1.895(13) . ?
C2 Si6 1.91(2) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
Si3 C26 1.838(17) . ?
Si3 C69 1.85(3) . ?
Si3 C30 1.869(14) . ?
Si3 C70 1.93(4) . ?
Cu3 N2 1.989(9) . ?
Cu3 N5 2.000(10) . ?
Cu3 N3 2.007(10) . ?
Cu3 N4 2.012(9) . ?
Si4 C67 1.83(3) . ?
Si4 C11 1.834(15) . ?
Si4 C57 1.84(3) . ?
Si4 C43 1.900(12) . ?
Si5 C65 1.84(3) . ?
Si5 C14 1.877(15) . ?
Si5 C66 1.89(3) . ?
Si5 C5 1.885(16) . ?
Si6 C48 1.873(11) . ?
Si6 C55 1.902(13) . ?
Si6 C64 1.90(3) . ?
C6 C76 1.63(4) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
Si7 F10 1.644(14) . ?
Si7 F8 1.657(13) . ?
Si7 F11 1.675(13) . ?
Si7 F12 1.707(14) . ?
Si7 F9 1.711(16) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C64 C73 1.538(14) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 C74 1.531(14) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C75 1.44(5) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 C78 1.70(5) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 C77 1.41(5) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
N11 C52 1.3900 . ?
N11 C33 1.3900 . ?
C52 C30 1.3900 . ?
C52 H52 0.9500 . ?
C30 C31 1.3900 . ?
C31 C32 1.3900 . ?
C31 H31 0.9500 . ?
C32 C33 1.3900 . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
N10 C3 1.3900 . ?
N10 C4 1.3900 . ?
C3 C71 1.3900 . ?
C3 H3 0.9500 . ?
C71 C72 1.3900 . ?
C71 H71 0.9500 . ?
C72 C5 1.3900 . ?
C72 H72 0.9500 . ?
C5 C4 1.3900 . ?
C4 H4 0.9500 . ?
N1 C25 1.3900 . ?
N1 C28 1.3900 . ?
C25 C26 1.3900 . ?
C25 H25 0.9500 . ?
C26 C1 1.3900 . ?
C1 C27 1.3900 . ?
C1 H1 0.9500 . ?
C27 C28 1.3900 . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
N6 C20 1.3900 . ?
N6 C24 1.3900 . ?
C20 C21 1.3900 . ?
C20 H20 0.9500 . ?
C21 C22 1.3900 . ?
C21 H21 0.9500 . ?
C22 C23 1.3900 . ?
C22 H22 0.9500 . ?
C23 C24 1.3900 . ?
C24 H24 0.9500 . ?
N5 C34 1.3900 . ?
N5 C38 1.3900 . ?
C34 C35 1.3900 . ?
C34 H34 0.9500 . ?
C35 C36 1.3900 . ?
C35 H35 0.9500 . ?
C36 C37 1.3900 . ?
C36 H36 0.9500 . ?
C37 C38 1.3900 . ?
C38 H38 0.9500 . ?
N3 C47 1.3900 . ?
N3 C51 1.3900 . ?
C47 C48 1.3900 . ?
C47 H47 0.9500 . ?
C48 C49 1.3900 . ?
C49 C50 1.3900 . ?
C49 H49 0.9500 . ?
C50 C51 1.3900 . ?
C50 H50 0.9500 . ?
C51 H51 0.9500 . ?
N7 C16 1.3900 . ?
N7 C19 1.3900 . ?
C16 C17 1.3900 . ?
C16 H16 0.9500 . ?
C17 C18 1.3900 . ?
C17 H17 0.9500 . ?
C18 C11 1.3900 . ?
C18 H18 0.9500 . ?
C11 C19 1.3900 . ?
C19 H19 0.9500 . ?
N12 C29 1.3900 . ?
N12 C56 1.3900 . ?
C29 C53 1.3900 . ?
C29 H29 0.9500 . ?
C53 C54 1.3900 . ?
C53 H53 0.9500 . ?
C54 C55 1.3900 . ?
C54 H54 0.9500 . ?
C55 C56 1.3900 . ?
C56 H56 0.9500 . ?
N4 C42 1.3900 . ?
N4 C46 1.3900 . ?
C42 C43 1.3900 . ?
C42 H42 0.9500 . ?
C43 C44 1.3900 . ?
C44 C45 1.3900 . ?
C44 H44 0.9500 . ?
C45 C46 1.3900 . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
N13 C59 1.3900 . ?
N13 C63 1.3900 . ?
C59 C60 1.3900 . ?
C59 H59 0.9500 . ?
C60 C61 1.3900 . ?
C60 H60 0.9500 . ?
C61 C62 1.3900 . ?
C61 H61 0.9500 . ?
C62 C63 1.3900 . ?
C63 H63 0.9500 . ?
N8 C9 1.3900 . ?
N8 C15 1.3900 . ?
C9 C12 1.3900 . ?
C9 H9 0.9500 . ?
C12 C13 1.3900 . ?
C12 H12 0.9500 . ?
C13 C14 1.3900 . ?
C13 H13 0.9500 . ?
C14 C15 1.3900 . ?
C15 H15 0.9500 . ?
N2 C8 1.3900 . ?
N2 C39 1.3900 . ?
C8 C10 1.3900 . ?
C8 H8 0.9500 . ?
C10 C41 1.3900 . ?
C41 C40 1.3900 . ?
C41 H41 0.9500 . ?
C40 C39 1.3900 . ?
C40 H40 0.9500 . ?
C39 H39 0.9500 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
F1A Sb1A 1.82(3) . ?
Sb1A F3A 1.75(3) . ?
Sb1A F2A 1.77(2) . ?
Sb1A F6A 1.80(2) . ?
Sb1A F5A 1.845(19) . ?
Sb1A F4A 1.85(2) . ?
F1B Sb1B 1.80(2) . ?
Sb1B F4B 1.76(2) . ?
Sb1B F3B 1.829(18) . ?
Sb1B F6B 1.875(16) . ?
Sb1B F5B 1.882(14) . ?
Sb1B F2B 1.90(2) . ?
Sb1C F5C 1.81(2) . ?
Sb1C F6C 1.83(2) . ?
Sb1C F4C 1.856(19) . ?
Sb1C F2C 1.89(2) . ?
Sb1C F3C 1.94(3) . ?
Sb1C F1C 2.27(4) . ?
Sb1D F3D 1.70(5) . ?
Sb1D F2D 1.90(5) . ?
Sb1D F1D 1.99(3) . ?
Sb1D F4D 2.02(5) . ?
Sb1D F5D 2.04(6) . ?
Sb1D F6D 2.07(6) . ?
Sb1E F6E 1.74(4) . ?
Sb1E F4E 1.84(4) . ?
Sb1E F5E 1.83(4) . ?
Sb1E F3E 1.91(5) . ?
Sb1E F1E 1.92(5) . ?
Sb1E F2E 1.93(5) . ?
Sb1E Sb1E 3.315(10) 2_665 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C58 Si1 C6 C76 70(3) . . . . ?
C23 Si1 C6 C76 -53(3) . . . . ?
C10 Si1 C6 C76 -169(2) . . . . ?
Cu2 F1 Si7 F10 0(4) . . . . ?
Cu2 F1 Si7 F8 -90(4) . . . . ?
Cu2 F1 Si7 F11 89(4) . . . . ?
Cu2 F1 Si7 F12 -180(100) . . . . ?
F8 Si7 F12 Cu1 93.7(14) . . . . ?
F11 Si7 F12 Cu1 -88.8(14) . . . . ?
F1 Si7 F12 Cu1 -176.3(13) . . . . ?
F9 Si7 F12 Cu1 2.9(14) . . . . ?
C65 Si5 C66 C74 -46(3) . . . . ?
C14 Si5 C66 C74 77(3) . . . . ?
C5 Si5 C66 C74 -167(3) . . . . ?
C11 Si4 C67 C75 -166(3) . . . . ?
C57 Si4 C67 C75 -42(4) . . . . ?
C43 Si4 C67 C75 77(4) . . . . ?
C7 Si2 C68 C78 58(3) . . . . ?
C37 Si2 C68 C78 178(2) . . . . ?
C62 Si2 C68 C78 -64(3) . . . . ?
C33 N11 C52 C30 0.0 . . . . ?
Cu1 N11 C52 C30 179.7(12) . . . . ?
N11 C52 C30 C31 0.0 . . . . ?
N11 C52 C30 Si3 -175.1(15) . . . . ?
C26 Si3 C30 C52 -83.7(13) . . . . ?
C69 Si3 C30 C52 152.8(18) . . . . ?
C70 Si3 C30 C52 39.7(17) . . . . ?
C26 Si3 C30 C31 101.4(13) . . . . ?
C69 Si3 C30 C31 -22(2) . . . . ?
C70 Si3 C30 C31 -135.2(16) . . . . ?
C52 C30 C31 C32 0.0 . . . . ?
Si3 C30 C31 C32 174.7(16) . . . . ?
C30 C31 C32 C33 0.0 . . . . ?
C31 C32 C33 N11 0.0 . . . . ?
C52 N11 C33 C32 0.0 . . . . ?
Cu1 N11 C33 C32 -179.7(13) . . . . ?
C4 N10 C3 C71 0.0 . . . . ?
Cu1 N10 C3 C71 176.9(11) . . . . ?
N10 C3 C71 C72 0.0 . . . . ?
C3 C71 C72 C5 0.0 . . . . ?
C71 C72 C5 C4 0.0 . . . . ?
C71 C72 C5 Si5 -179.2(13) . . . . ?
C65 Si5 C5 C4 143.5(15) . . . . ?
C14 Si5 C5 C4 26.1(11) . . . . ?
C66 Si5 C5 C4 -91.6(15) . . . . ?
C65 Si5 C5 C72 -37.2(17) . . . . ?
C14 Si5 C5 C72 -154.7(9) . . . . ?
C66 Si5 C5 C72 87.6(15) . . . . ?
C72 C5 C4 N10 0.0 . . . . ?
Si5 C5 C4 N10 179.3(12) . . . . ?
C3 N10 C4 C5 0.0 . . . . ?
Cu1 N10 C4 C5 -177.0(10) . . . . ?
C28 N1 C25 C26 0.0 . . . . ?
Cu2 N1 C25 C26 -178.0(11) . . . . ?
N1 C25 C26 C1 0.0 . . . . ?
N1 C25 C26 Si3 -178.6(14) . . . . ?
C69 Si3 C26 C1 -34.6(19) . . . . ?
C30 Si3 C26 C1 -153.6(10) . . . . ?
C70 Si3 C26 C1 85.5(15) . . . . ?
C69 Si3 C26 C25 144.0(16) . . . . ?
C30 Si3 C26 C25 25.0(14) . . . . ?
C70 Si3 C26 C25 -96.0(15) . . . . ?
C25 C26 C1 C27 0.0 . . . . ?
Si3 C26 C1 C27 178.6(14) . . . . ?
C26 C1 C27 C28 0.0 . . . . ?
C1 C27 C28 N1 0.0 . . . . ?
C25 N1 C28 C27 0.0 . . . . ?
Cu2 N1 C28 C27 178.0(11) . . . . ?
C24 N6 C20 C21 0.0 . . . . ?
Cu2 N6 C20 C21 -179.2(10) . . . . ?
N6 C20 C21 C22 0.0 . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C21 C22 C23 Si1 180.0(11) . . . . ?
C58 Si1 C23 C24 19.9(13) . . . . ?
C6 Si1 C23 C24 141.3(11) . . . . ?
C10 Si1 C23 C24 -99.4(9) . . . . ?
C58 Si1 C23 C22 -160.1(11) . . . . ?
C6 Si1 C23 C22 -38.7(14) . . . . ?
C10 Si1 C23 C22 80.7(9) . . . . ?
C22 C23 C24 N6 0.0 . . . . ?
Si1 C23 C24 N6 -180.0(11) . . . . ?
C20 N6 C24 C23 0.0 . . . . ?
Cu2 N6 C24 C23 179.2(9) . . . . ?
C38 N5 C34 C35 0.0 . . . . ?
Cu3 N5 C34 C35 -173.2(10) . . . . ?
N5 C34 C35 C36 0.0 . . . . ?
C34 C35 C36 C37 0.0 . . . . ?
C35 C36 C37 C38 0.0 . . . . ?
C35 C36 C37 Si2 176.0(13) . . . . ?
C68 Si2 C37 C36 -148.2(14) . . . . ?
C7 Si2 C37 C36 -27.1(15) . . . . ?
C62 Si2 C37 C36 92.3(11) . . . . ?
C68 Si2 C37 C38 27.8(16) . . . . ?
C7 Si2 C37 C38 149.0(13) . . . . ?
C62 Si2 C37 C38 -91.6(10) . . . . ?
C36 C37 C38 N5 0.0 . . . . ?
Si2 C37 C38 N5 -176.2(12) . . . . ?
C34 N5 C38 C37 0.0 . . . . ?
Cu3 N5 C38 C37 173.5(10) . . . . ?
C51 N3 C47 C48 0.0 . . . . ?
Cu3 N3 C47 C48 179.6(10) . . . . ?
N3 C47 C48 C49 0.0 . . . . ?
N3 C47 C48 Si6 177.0(13) . . . . ?
C55 Si6 C48 C47 33.2(11) . . . . ?
C64 Si6 C48 C47 -86.3(12) . . . . ?
C2 Si6 C48 C47 151.6(13) . . . . ?
C55 Si6 C48 C49 -149.8(9) . . . . ?
C64 Si6 C48 C49 90.7(13) . . . . ?
C2 Si6 C48 C49 -31.4(16) . . . . ?
C47 C48 C49 C50 0.0 . . . . ?
Si6 C48 C49 C50 -176.9(13) . . . . ?
C48 C49 C50 C51 0.0 . . . . ?
C49 C50 C51 N3 0.0 . . . . ?
C47 N3 C51 C50 0.0 . . . . ?
Cu3 N3 C51 C50 -179.6(10) . . . . ?
C19 N7 C16 C17 0.0 . . . . ?
Cu2 N7 C16 C17 -175.7(10) . . . . ?
N7 C16 C17 C18 0.0 . . . . ?
C16 C17 C18 C11 0.0 . . . . ?
C17 C18 C11 C19 0.0 . . . . ?
C17 C18 C11 Si4 -179.2(13) . . . . ?
C67 Si4 C11 C19 -87.0(15) . . . . ?
C57 Si4 C11 C19 146.8(14) . . . . ?
C43 Si4 C11 C19 31.5(11) . . . . ?
C67 Si4 C11 C18 92.3(15) . . . . ?
C57 Si4 C11 C18 -34.0(16) . . . . ?
C43 Si4 C11 C18 -149.3(9) . . . . ?
C18 C11 C19 N7 0.0 . . . . ?
Si4 C11 C19 N7 179.3(13) . . . . ?
C16 N7 C19 C11 0.0 . . . . ?
Cu2 N7 C19 C11 175.7(11) . . . . ?
C56 N12 C29 C53 0.0 . . . . ?
Cu1 N12 C29 C53 179.1(9) . . . . ?
N12 C29 C53 C54 0.0 . . . . ?
C29 C53 C54 C55 0.0 . . . . ?
C53 C54 C55 C56 0.0 . . . . ?
C53 C54 C55 Si6 -177.5(11) . . . . ?
C54 C55 C56 N12 0.0 . . . . ?
Si6 C55 C56 N12 177.5(10) . . . . ?
C29 N12 C56 C55 0.0 . . . . ?
Cu1 N12 C56 C55 -179.1(9) . . . . ?
C46 N4 C42 C43 0.0 . . . . ?
Cu3 N4 C42 C43 -178.5(9) . . . . ?
N4 C42 C43 C44 0.0 . . . . ?
N4 C42 C43 Si4 -178.7(11) . . . . ?
C42 C43 C44 C45 0.0 . . . . ?
Si4 C43 C44 C45 178.6(11) . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C44 C45 C46 N4 0.0 . . . . ?
C42 N4 C46 C45 0.0 . . . . ?
Cu3 N4 C46 C45 178.4(9) . . . . ?
C63 N13 C59 C60 0.0 . . . . ?
Cu1 N13 C59 C60 -178.1(11) . . . . ?
N13 C59 C60 C61 0.0 . . . . ?
C59 C60 C61 C62 0.0 . . . . ?
C60 C61 C62 C63 0.0 . . . . ?
C60 C61 C62 Si2 180.0(12) . . . . ?
C68 Si2 C62 C63 -86.1(14) . . . . ?
C7 Si2 C62 C63 151.2(14) . . . . ?
C37 Si2 C62 C63 32.2(11) . . . . ?
C68 Si2 C62 C61 94.0(13) . . . . ?
C7 Si2 C62 C61 -28.8(16) . . . . ?
C37 Si2 C62 C61 -147.8(9) . . . . ?
C61 C62 C63 N13 0.0 . . . . ?
Si2 C62 C63 N13 -180.0(12) . . . . ?
C59 N13 C63 C62 0.0 . . . . ?
Cu1 N13 C63 C62 178.1(11) . . . . ?
C15 N8 C9 C12 0.0 . . . . ?
Cu2 N8 C9 C12 -173.8(13) . . . . ?
N8 C9 C12 C13 0.0 . . . . ?
C9 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C12 C13 C14 Si5 177.5(15) . . . . ?
C65 Si5 C14 C13 -19.1(17) . . . . ?
C66 Si5 C14 C13 -144.9(15) . . . . ?
C5 Si5 C14 C13 98.3(12) . . . . ?
C65 Si5 C14 C15 158.4(14) . . . . ?
C66 Si5 C14 C15 32.6(16) . . . . ?
C5 Si5 C14 C15 -84.2(12) . . . . ?
C13 C14 C15 N8 0.0 . . . . ?
Si5 C14 C15 N8 -177.6(14) . . . . ?
C9 N8 C15 C14 0.0 . . . . ?
Cu2 N8 C15 C14 174.2(12) . . . . ?
C39 N2 C8 C10 0.0 . . . . ?
Cu3 N2 C8 C10 -174.2(10) . . . . ?
N2 C8 C10 C41 0.0 . . . . ?
N2 C8 C10 Si1 179.3(11) . . . . ?
C58 Si1 C10 C41 90.8(13) . . . . ?
C6 Si1 C10 C41 -30.1(14) . . . . ?
C23 Si1 C10 C41 -150.3(9) . . . . ?
C58 Si1 C10 C8 -88.5(13) . . . . ?
C6 Si1 C10 C8 150.6(12) . . . . ?
C23 Si1 C10 C8 30.5(10) . . . . ?
C8 C10 C41 C40 0.0 . . . . ?
Si1 C10 C41 C40 -179.2(12) . . . . ?
C10 C41 C40 C39 0.0 . . . . ?
C41 C40 C39 N2 0.0 . . . . ?
C8 N2 C39 C40 0.0 . . . . ?
Cu3 N2 C39 C40 174.1(10) . . . . ?
