#------------------------------------------------------------------------------
#$Date: 2022-05-14 00:53:14 +0300 (Sat, 14 May 2022) $
#$Revision: 275415 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/00/7130091.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_7130091
loop_
_publ_author_name
'Li, Ke'
'Feng, Zhongtao'
'Ruan, Huapeng'
'Sun, Quanchun'
'Zhao, Yue'
'Wang, Xinping'
_publ_section_title
;
 The catenation of a singlet diradical dication and modulation of
 diradical character by metal coordination
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC01539K
_journal_year                    2022
_chemical_formula_sum            'C46 H38 Ag Cl4 F18 N2 O9 Sb3'
_chemical_formula_weight         1719.70
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-04-19 deposited with the CCDC.	2022-05-05 downloaded from the CCDC.
;
_cell_angle_alpha                90.257(3)
_cell_angle_beta                 110.805(3)
_cell_angle_gamma                99.213(3)
_cell_formula_units_Z            2
_cell_length_a                   12.0834(14)
_cell_length_b                   14.7801(15)
_cell_length_c                   16.8572(18)
_cell_measurement_reflns_used    7066
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      26.87
_cell_measurement_theta_min      2.49
_cell_volume                     2771.8(5)
_computing_cell_refinement       'ShelXL 2018/3 (Sheldrick, 2015)'
_computing_data_collection       'Bruker BIS V6.2.1'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 7.41
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker D8 VENTURE TXS PHOTON 100'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_av_unetI/netI     0.0601
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            23416
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.520
_diffrn_reflns_theta_min         1.969
_exptl_absorpt_coefficient_mu    2.103
_exptl_absorpt_correction_T_max  0.821
_exptl_absorpt_correction_T_min  0.791
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0990 before and 0.0547 after correction.
Estimated minimum and maximum transmission were 0.0242 and 0.0468.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    2.060
_exptl_crystal_description       block
_exptl_crystal_F_000             1660
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Dichloromethane'
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         3.375
_refine_diff_density_min         -1.591
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     774
_refine_ls_number_reflns         12621
_refine_ls_number_restraints     93
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.1197
_refine_ls_R_factor_gt           0.0779
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0910P)²+16.9526P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2002
_refine_ls_wR_factor_ref         0.2236
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7912
_reflns_number_total             12621
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc01539k2.cif
_cod_data_source_block           1_a_CCDC1
_cod_database_code               7130091
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.786
_shelx_estimated_absorpt_t_max   0.817
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.14791(7) 0.19023(5) 0.21451(4) 0.0569(2) Uani 1 1 d . . . A 23
Sb2 Sb 0.26275(6) 0.35928(5) 0.81973(5) 0.0538(2) Uani 1 1 d . . . B 23
Ag1 Ag 0.49881(7) 0.12495(5) 0.56682(5) 0.0518(2) Uani 1 1 d . . . C 23
Sb3 Sb 0.75951(8) 0.21498(6) 0.44264(7) 0.0769(3) Uani 1 1 d . . . D 23
O2 O 0.2961(5) 0.0626(4) 0.4659(4) 0.0446(14) Uani 1 1 d . . . C 23
O008 O 0.5334(6) 0.7573(4) 0.5505(4) 0.0461(15) Uani 1 1 d . . . C 23
O009 O 0.5379(6) 0.2825(4) 0.6187(4) 0.0503(16) Uani 1 1 d . . . C 23
F1 F 0.0234(6) 0.1355(5) 0.2491(5) 0.083(2) Uani 1 1 d . . . A 23
F8 F 0.3330(7) 0.2544(5) 0.8508(5) 0.084(2) Uani 1 1 d . . . B 23
O4 O -0.4238(7) -0.0269(5) -0.0741(5) 0.065(2) Uani 1 1 d . . . C 23
O1 O -0.3235(6) -0.1109(6) 0.3722(4) 0.065(2) Uani 1 1 d . . . C 23
F10 F 0.1803(7) 0.3287(5) 0.8932(5) 0.082(2) Uani 1 1 d . . . B 23
N00F N 0.5883(6) 0.5612(5) 0.8071(4) 0.0392(16) Uani 1 1 d . . . C 23
F9 F 0.1403(6) 0.2867(5) 0.7313(5) 0.082(2) Uani 1 1 d . . . B 23
O00H O 0.9188(7) 0.3633(5) 1.0071(5) 0.0629(19) Uani 1 1 d . . . C 23
N1 N -0.0427(6) -0.0919(5) 0.2053(4) 0.0392(16) Uani 1 1 d . . . C 23
O00J O 0.3182(7) 0.7640(5) 0.9159(5) 0.0614(19) Uani 1 1 d . . . C 23
F4 F 0.2714(7) 0.2437(5) 0.1781(4) 0.083(2) Uani 1 1 d . . . A 23
F12 F 0.3841(7) 0.4318(5) 0.9078(4) 0.088(2) Uani 1 1 d . . . B 23
F5 F 0.2237(7) 0.0878(5) 0.2451(5) 0.089(2) Uani 1 1 d . . . A 23
F7 F 0.3526(8) 0.3870(6) 0.7514(5) 0.095(2) Uani 1 1 d . . . B 23
F2 F 0.0750(7) 0.2928(5) 0.1837(6) 0.097(2) Uani 1 1 d . . . A 23
F3 F 0.2314(7) 0.2437(7) 0.3226(4) 0.098(3) Uani 1 1 d . . . A 23
C7 C -0.0323(7) -0.0673(6) 0.2897(5) 0.0355(17) Uani 1 1 d . . . C 23
O3 O 0.5531(8) -0.0119(6) 0.6229(6) 0.078(2) Uani 1 1 d . . . C 23
H3E H 0.480577 -0.055801 0.617808 0.117 Uiso 1 1 d R U . C 23
H3F H 0.596369 -0.037318 0.591104 0.117 Uiso 1 1 d R U . C 23
F11 F 0.1881(7) 0.4587(5) 0.7894(6) 0.096(2) Uani 1 1 d . . . B 23
C2 C -0.1178(7) -0.0591(5) 0.3983(5) 0.0344(17) Uani 1 1 d . . . C 23
F6 F 0.0630(8) 0.1351(6) 0.1054(5) 0.107(3) Uani 1 1 d . . . A 23
C3 C -0.0070(7) -0.0146(5) 0.4568(5) 0.0345(17) Uani 1 1 d . . . C 23
C00W C 0.5290(8) 0.4390(6) 0.6007(5) 0.0389(18) Uani 1 1 d . . . C 23
C8 C -0.1307(7) -0.0863(6) 0.3146(5) 0.0369(18) Uani 1 1 d . . . C 23
H8 H -0.205825 -0.117255 0.275949 0.044 Uiso 1 1 calc R U . C 23
C4 C 0.0916(7) 0.0001(5) 0.4289(5) 0.0325(16) Uani 1 1 d . . . C 23
F17 F 0.6889(8) 0.1526(6) 0.5142(6) 0.104(3) Uani 1 1 d . . . D 23
C010 C 0.5237(8) 0.5994(6) 0.5795(5) 0.0388(18) Uani 1 1 d . . . C 23
C011 C 0.5136(7) 0.5092(6) 0.5447(5) 0.0375(18) Uani 1 1 d . . . C 23
C012 C 0.6771(8) 0.5173(6) 0.8611(5) 0.0411(19) Uani 1 1 d . . . C 23
C013 C 0.5193(8) 0.6128(6) 0.8337(5) 0.0377(18) Uani 1 1 d . . . C 23
C014 C 0.7758(8) 0.5071(6) 0.8395(6) 0.045(2) Uani 1 1 d . . . C 23
H014 H 0.785445 0.535323 0.791300 0.053 Uiso 1 1 calc R U . C 23
F16 F 0.6118(9) 0.1892(9) 0.3549(7) 0.147(3) Uani 1 1 d . . . D 23
C6 C 0.0798(8) -0.0255(6) 0.3473(5) 0.0374(18) Uani 1 1 d . . . C 23
H6 H 0.147475 -0.014820 0.330302 0.045 Uiso 1 1 calc R U . C 23
C5 C 0.2091(7) 0.0473(6) 0.4856(5) 0.0361(17) Uani 1 1 d . . . C 23
F13 F 0.9066(8) 0.2348(7) 0.5365(7) 0.129(4) Uani 1 1 d . . . D 23
O5 O 0.3482(9) -0.2376(8) 0.1887(6) 0.096(3) Uani 1 1 d . . . C 23
C1 C -0.2256(8) -0.0761(6) 0.4212(6) 0.043(2) Uani 1 1 d . . . C 23
C01B C 0.8589(8) 0.4571(6) 0.8869(5) 0.043(2) Uani 1 1 d . . . C 23
H01B H 0.925167 0.449433 0.871294 0.051 Uiso 1 1 calc R U . C 23
C01C C 0.5154(8) 0.6785(6) 0.5252(5) 0.0405(19) Uani 1 1 d . . . C 23
C16 C -0.1387(8) -0.0782(6) 0.1348(6) 0.0417(19) Uani 1 1 d . . . C 23
C01E C 0.6668(8) 0.4810(6) 0.9349(6) 0.044(2) Uani 1 1 d . . . C 23
H01E H 0.601512 0.489659 0.951393 0.053 Uiso 1 1 calc R U . C 23
C01F C 0.5201(8) 0.3434(6) 0.5710(5) 0.0404(19) Uani 1 1 d . . . C 23
C17 C -0.1665(9) -0.1278(6) 0.0589(5) 0.044(2) Uani 1 1 d . . . C 23
H17 H -0.120857 -0.173574 0.055962 0.053 Uiso 1 1 calc R U . C 23
C19 C -0.3297(10) -0.0461(7) -0.0075(6) 0.053(2) Uani 1 1 d . . . C 23
C01I C 0.5459(8) 0.6159(6) 0.6644(5) 0.0403(19) Uani 1 1 d . . . C 23
H01I H 0.550839 0.676329 0.686278 0.048 Uiso 1 1 calc R U . C 23
C01J C 0.3784(9) 0.7116(7) 0.8835(7) 0.053(2) Uani 1 1 d . . . C 23
C01K C 0.5658(8) 0.6608(6) 0.9134(5) 0.044(2) Uani 1 1 d . . . C 23
H01K H 0.646025 0.659426 0.949954 0.053 Uiso 1 1 calc R U . C 23
C01L C 0.5611(8) 0.5448(6) 0.7183(5) 0.042(2) Uani 1 1 d . . . C 23
C01M C 0.3996(8) 0.6151(6) 0.7811(6) 0.047(2) Uani 1 1 d . . . C 23
H01M H 0.366623 0.581436 0.727411 0.057 Uiso 1 1 calc R U . C 23
C9 C 0.0567(8) -0.1273(6) 0.1966(6) 0.044(2) Uani 1 1 d . . . C 23
C18 C -0.2600(9) -0.1121(6) -0.0134(6) 0.051(2) Uani 1 1 d . . . C 23
H18 H -0.276776 -0.145182 -0.066012 0.062 Uiso 1 1 calc R U . C 23
C01P C 0.5546(9) 0.4567(6) 0.6881(6) 0.048(2) Uani 1 1 d . . . C 23
H01P H 0.567288 0.408547 0.725703 0.058 Uiso 1 1 calc R U . C 23
C01Q C 0.4963(9) 0.7096(6) 0.9388(6) 0.049(2) Uani 1 1 d . . . C 23
H01Q H 0.527169 0.741816 0.993222 0.059 Uiso 1 1 calc R U . C 23
C01R C 0.8452(9) 0.4179(6) 0.9575(6) 0.050(2) Uani 1 1 d . . . C 23
C20 C -0.3038(9) 0.0024(7) 0.0687(6) 0.054(2) Uani 1 1 d . . . C 23
H20 H -0.352850 0.045231 0.072228 0.065 Uiso 1 1 calc R U . C 23
C13 C 0.2041(11) -0.1355(8) 0.1307(8) 0.070(4) Uani 1 1 d . . . C 23
H13 H 0.238707 -0.117248 0.089456 0.085 Uiso 1 1 calc R U . C 23
C01U C 0.3319(9) 0.6633(7) 0.8052(6) 0.051(2) Uani 1 1 d . . . C 23
H01U H 0.251618 0.664572 0.768618 0.062 Uiso 1 1 calc R U . C 23
C01V C 0.7515(9) 0.4330(7) 0.9830(6) 0.050(2) Uani 1 1 d . . . C 23
H01V H 0.746622 0.409721 1.034331 0.060 Uiso 1 1 calc R U . C 23
C21 C -0.2082(9) -0.0100(6) 0.1397(6) 0.047(2) Uani 1 1 d . . . C 23
H21 H -0.188648 0.026015 0.191152 0.057 Uiso 1 1 calc R U . C 23
F15 F 0.7960(11) 0.1089(8) 0.4160(6) 0.138(4) Uani 1 1 d . . . D 23
C10 C 0.1099(9) -0.1889(8) 0.2524(6) 0.057(3) Uani 1 1 d . . . C 23
H10 H 0.079611 -0.206171 0.296056 0.068 Uiso 1 1 calc R U . C 23
F18 F 0.7175(8) 0.3208(6) 0.4777(10) 0.165(6) Uani 1 1 d . . . D 23
C14 C 0.1018(11) -0.0987(8) 0.1342(7) 0.062(3) Uani 1 1 d . . . C 23
H14 H 0.066600 -0.056155 0.094971 0.074 Uiso 1 1 calc R U . C 23
C12 C 0.2499(11) -0.1979(9) 0.1890(9) 0.073(3) Uani 1 1 d . . . C 23
C022 C 1.0120(10) 0.3402(7) 0.9812(7) 0.060(3) Uani 1 1 d . . . C 23
H02A H 0.979197 0.322413 0.920146 0.089 Uiso 1 1 calc R U . C 23
H02B H 1.044000 0.288889 1.012812 0.089 Uiso 1 1 calc R U . C 23
H02C H 1.076517 0.393512 0.992958 0.089 Uiso 1 1 calc R U . C 23
F14 F 0.8285(9) 0.2769(10) 0.3788(7) 0.147(3) Uani 1 1 d . . . D 23
C11 C 0.2041(11) -0.2266(10) 0.2483(8) 0.072(3) Uani 1 1 d . . . C 23
H11 H 0.236041 -0.271456 0.285962 0.086 Uiso 1 1 calc R U . C 23
C025 C 0.1913(10) 0.7635(9) 0.8658(8) 0.075(3) Uani 1 1 d . . . C 23
H02D H 0.183031 0.782575 0.808715 0.113 Uiso 1 1 calc R U . C 23
H02E H 0.159985 0.806126 0.893700 0.113 Uiso 1 1 calc R U . C 23
H02F H 0.145738 0.701356 0.861614 0.113 Uiso 1 1 calc R U . C 23
C22 C -0.4502(11) -0.0688(9) -0.1578(7) 0.070(3) Uani 1 1 d . . . C 23
H22A H -0.507928 -0.037709 -0.200197 0.106 Uiso 1 1 calc R U . C 23
H22B H -0.484668 -0.133883 -0.159943 0.106 Uiso 1 1 calc R U . C 23
H22C H -0.376012 -0.063290 -0.169947 0.106 Uiso 1 1 calc R U . C 23
C15 C 0.4024(16) -0.2084(12) 0.1331(12) 0.109(5) Uani 1 1 d . . . C 23
H15A H 0.355515 -0.239143 0.076721 0.163 Uiso 1 1 calc R U . C 23
H15B H 0.483621 -0.223262 0.152571 0.163 Uiso 1 1 calc R U . C 23
H15C H 0.407045 -0.141822 0.129704 0.163 Uiso 1 1 calc R U . C 23
Cl1 Cl 0.2141(5) 0.4647(4) 0.5604(3) 0.1309(17) Uani 1 1 d . U . E 23
Cl2 Cl 0.2111(5) 0.2884(4) 0.4901(4) 0.148(2) Uani 1 1 d . U . E 23
C23 C 0.165(2) 0.3463(14) 0.5524(14) 0.145(6) Uani 1 1 d . U . E 23
H23A H 0.192848 0.323261 0.610022 0.174 Uiso 1 1 calc R U . E 23
H23B H 0.075647 0.334240 0.530561 0.174 Uiso 1 1 calc R U . E 23
Cl4 Cl 0.0498(15) 0.4276(10) 0.3082(12) 0.207(5) Uani 0.539(10) 1 d D U P F 1
Cl3 Cl 0.1567(19) 0.6120(11) 0.3397(16) 0.248(7) Uani 0.539(10) 1 d D U P F 1
C25 C 0.057(7) 0.529(2) 0.353(6) 0.221(7) Uani 0.539(10) 1 d D U P F 1
H25A H -0.023715 0.547520 0.329805 0.265 Uiso 0.539(10) 1 calc R U P F 1
H25B H 0.075937 0.523596 0.415099 0.265 Uiso 0.539(10) 1 calc R U P F 1
Cl1A Cl -0.0327(17) 0.4330(15) 0.3707(15) 0.240(7) Uani 0.461(10) 1 d D U P F 2
C24 C 0.048(6) 0.5366(18) 0.377(7) 0.220(7) Uani 0.461(10) 1 d D U P F 2
H24A H -0.005882 0.577013 0.341424 0.264 Uiso 0.461(10) 1 calc R U P F 2
H24B H 0.078165 0.562411 0.436243 0.264 Uiso 0.461(10) 1 calc R U P F 2
Cl4A Cl 0.1628(17) 0.5385(15) 0.3450(15) 0.203(6) Uani 0.461(10) 1 d D U P F 2
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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
F3 Sb1 F2 90.4(4) . . ?
F3 Sb1 F6 179.5(4) . . ?
F2 Sb1 F6 89.9(4) . . ?
F3 Sb1 F1 90.1(4) . . ?
F2 Sb1 F1 90.9(3) . . ?
F6 Sb1 F1 89.6(4) . . ?
F3 Sb1 F4 90.9(3) . . ?
F2 Sb1 F4 89.3(4) . . ?
F6 Sb1 F4 89.4(3) . . ?
F1 Sb1 F4 179.0(3) . . ?
F3 Sb1 F5 89.6(4) . . ?
F2 Sb1 F5 179.0(3) . . ?
F6 Sb1 F5 90.1(4) . . ?
F1 Sb1 F5 90.1(3) . . ?
F4 Sb1 F5 89.7(3) . . ?
F11 Sb2 F7 92.5(4) . . ?
F11 Sb2 F12 89.4(4) . . ?
F7 Sb2 F12 88.9(3) . . ?
F11 Sb2 F10 90.4(4) . . ?
F7 Sb2 F10 176.5(4) . . ?
F12 Sb2 F10 89.2(3) . . ?
F11 Sb2 F9 90.4(3) . . ?
F7 Sb2 F9 91.3(4) . . ?
F12 Sb2 F9 179.7(4) . . ?
F10 Sb2 F9 90.6(3) . . ?
F11 Sb2 F8 177.5(3) . . ?
F7 Sb2 F8 89.4(4) . . ?
F12 Sb2 F8 92.2(4) . . ?
F10 Sb2 F8 87.7(3) . . ?
F9 Sb2 F8 88.0(3) . . ?
O3 Ag1 O009 136.2(3) . . ?
O3 Ag1 O2 98.4(3) . . ?
O009 Ag1 O2 117.7(2) . . ?
F14 Sb3 F15 92.6(6) . . ?
F14 Sb3 F16 93.1(5) . . ?
F15 Sb3 F16 90.2(5) . . ?
F14 Sb3 F18 92.2(6) . . ?
F15 Sb3 F18 175.1(6) . . ?
F16 Sb3 F18 90.5(5) . . ?
F14 Sb3 F17 177.7(5) . . ?
F15 Sb3 F17 89.0(5) . . ?
F16 Sb3 F17 88.6(5) . . ?
F18 Sb3 F17 86.2(5) . . ?
F14 Sb3 F13 90.8(5) . . ?
F15 Sb3 F13 88.5(5) . . ?
F16 Sb3 F13 176.0(5) . . ?
F18 Sb3 F13 90.5(5) . . ?
F17 Sb3 F13 87.6(4) . . ?
C5 O2 Ag1 123.5(5) . . ?
C01F O009 Ag1 121.6(6) . . ?
C19 O4 C22 119.9(9) . . ?
C012 N00F C013 124.7(7) . . ?
C012 N00F C01L 116.3(7) . . ?
C013 N00F C01L 118.9(7) . . ?
C01R O00H C022 117.9(8) . . ?
C16 N1 C7 122.7(7) . . ?
C16 N1 C9 120.9(7) . . ?
C7 N1 C9 116.3(7) . . ?
C01J O00J C025 117.3(9) . . ?
C8 C7 C6 120.8(7) . . ?
C8 C7 N1 120.6(7) . . ?
C6 C7 N1 118.6(7) . . ?
Ag1 O3 H3E 109.3 . . ?
Ag1 O3 H3F 109.2 . . ?
H3E O3 H3F 109.5 . . ?
C3 C2 C8 121.3(7) . . ?
C3 C2 C1 121.0(7) . . ?
C8 C2 C1 117.6(7) . . ?
C2 C3 C4 117.2(7) . . ?
C011 C00W C01P 121.5(8) . . ?
C011 C00W C01F 121.4(7) . . ?
C01P C00W C01F 117.1(8) . . ?
C7 C8 C2 119.1(7) . . ?
C7 C8 H8 120.5 . . ?
C2 C8 H8 120.5 . . ?
C6 C4 C3 121.9(7) . . ?
C6 C4 C5 117.6(7) . . ?
C3 C4 C5 120.4(7) . . ?
C01I C010 C011 121.0(8) . . ?
C01I C010 C01C 118.3(8) . . ?
C011 C010 C01C 120.6(7) . . ?
C00W C011 C010 117.2(7) . . ?
N00F C012 C014 119.4(8) . . ?
N00F C012 C01E 120.9(8) . . ?
C014 C012 C01E 119.7(8) . . ?
N00F C013 C01K 121.0(8) . . ?
N00F C013 C01M 120.2(8) . . ?
C01K C013 C01M 118.8(8) . . ?
C01B C014 C012 120.8(8) . . ?
C01B C014 H014 119.6 . . ?
C012 C014 H014 119.6 . . ?
C4 C6 C7 119.6(8) . . ?
C4 C6 H6 120.2 . . ?
C7 C6 H6 120.2 . . ?
O2 C5 C4 123.8(8) . . ?
C15 O5 C12 118.2(12) . . ?
O1 C1 C2 123.5(8) . . ?
C014 C01B C01R 119.2(9) . . ?
C014 C01B H01B 120.4 . . ?
C01R C01B H01B 120.4 . . ?
O008 C01C C010 125.0(8) . . ?
O008 C01C C01F 118.1(8) . 2_666 ?
C010 C01C C01F 116.9(7) . 2_666 ?
C17 C16 N1 120.6(8) . . ?
C17 C16 C21 119.6(8) . . ?
N1 C16 C21 119.8(8) . . ?
C01V C01E C012 119.1(9) . . ?
C01V C01E H01E 120.4 . . ?
C012 C01E H01E 120.4 . . ?
O009 C01F C00W 122.5(8) . . ?
C16 C17 C18 121.1(9) . . ?
C16 C17 H17 119.4 . . ?
C18 C17 H17 119.4 . . ?
O4 C19 C20 116.6(10) . . ?
O4 C19 C18 123.2(9) . . ?
C20 C19 C18 120.2(9) . . ?
C010 C01I C01L 120.3(8) . . ?
C010 C01I H01I 119.9 . . ?
C01L C01I H01I 119.9 . . ?
O00J C01J C01U 125.6(9) . . ?
O00J C01J C01Q 113.5(9) . . ?
C01U C01J C01Q 120.9(9) . . ?
C01Q C01K C013 120.2(9) . . ?
C01Q C01K H01K 119.9 . . ?
C013 C01K H01K 119.9 . . ?
C01P C01L C01I 120.9(8) . . ?
C01P C01L N00F 118.0(8) . . ?
C01I C01L N00F 121.0(8) . . ?
C01U C01M C013 121.3(9) . . ?
C01U C01M H01M 119.4 . . ?
C013 C01M H01M 119.4 . . ?
C10 C9 C14 119.5(9) . . ?
C10 C9 N1 119.5(8) . . ?
C14 C9 N1 121.0(10) . . ?
C17 C18 C19 118.8(9) . . ?
C17 C18 H18 120.6 . . ?
C19 C18 H18 120.6 . . ?
C01L C01P C00W 119.1(8) . . ?
C01L C01P H01P 120.5 . . ?
C00W C01P H01P 120.5 . . ?
C01K C01Q C01J 119.0(9) . . ?
C01K C01Q H01Q 120.5 . . ?
C01J C01Q H01Q 120.5 . . ?
O00H C01R C01B 124.4(9) . . ?
O00H C01R C01V 115.2(8) . . ?
C01B C01R C01V 120.5(9) . . ?
C21 C20 C19 121.3(10) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C12 C13 C14 118.1(10) . . ?
C12 C13 H13 121.0 . . ?
C14 C13 H13 121.0 . . ?
C01M C01U C01J 119.8(9) . . ?
C01M C01U H01U 120.1 . . ?
C01J C01U H01U 120.1 . . ?
C01E C01V C01R 120.5(9) . . ?
C01E C01V H01V 119.7 . . ?
C01R C01V H01V 119.7 . . ?
C20 C21 C16 118.9(9) . . ?
C20 C21 H21 120.6 . . ?
C16 C21 H21 120.6 . . ?
C11 C10 C9 123.3(11) . . ?
C11 C10 H10 118.3 . . ?
C9 C10 H10 118.3 . . ?
C9 C14 C13 118.0(11) . . ?
C9 C14 H14 121.0 . . ?
C13 C14 H14 121.0 . . ?
C11 C12 C13 123.5(12) . . ?
C11 C12 O5 115.1(12) . . ?
C13 C12 O5 121.3(12) . . ?
O00H C022 H02A 109.5 . . ?
O00H C022 H02B 109.5 . . ?
H02A C022 H02B 109.5 . . ?
O00H C022 H02C 109.5 . . ?
H02A C022 H02C 109.5 . . ?
H02B C022 H02C 109.5 . . ?
C12 C11 C10 117.6(12) . . ?
C12 C11 H11 121.2 . . ?
C10 C11 H11 121.2 . . ?
O00J C025 H02D 109.5 . . ?
O00J C025 H02E 109.5 . . ?
H02D C025 H02E 109.5 . . ?
O00J C025 H02F 109.5 . . ?
H02D C025 H02F 109.5 . . ?
H02E C025 H02F 109.5 . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O5 C15 H15A 109.5 . . ?
O5 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O5 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Cl2 C23 Cl1 114.1(13) . . ?
Cl2 C23 H23A 108.7 . . ?
Cl1 C23 H23A 108.7 . . ?
Cl2 C23 H23B 108.7 . . ?
Cl1 C23 H23B 108.7 . . ?
H23A C23 H23B 107.6 . . ?
Cl3 C25 Cl4 114.3(9) . . ?
Cl3 C25 H25A 108.7 . . ?
Cl4 C25 H25A 108.7 . . ?
Cl3 C25 H25B 108.7 . . ?
Cl4 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
Cl4A C24 Cl1A 114.4(9) . . ?
Cl4A C24 H24A 108.7 . . ?
Cl1A C24 H24A 108.7 . . ?
Cl4A C24 H24B 108.7 . . ?
Cl1A C24 H24B 108.7 . . ?
H24A C24 H24B 107.6 . . ?
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
Sb1 F3 1.841(7) . ?
Sb1 F2 1.858(8) . ?
Sb1 F6 1.865(7) . ?
Sb1 F1 1.870(6) . ?
Sb1 F4 1.871(6) . ?
Sb1 F5 1.874(7) . ?
Sb2 F11 1.827(8) . ?
Sb2 F7 1.851(7) . ?
Sb2 F12 1.854(6) . ?
Sb2 F10 1.862(7) . ?
Sb2 F9 1.864(6) . ?
Sb2 F8 1.874(7) . ?
Ag1 O3 2.328(8) . ?
Ag1 O009 2.397(6) . ?
Ag1 O2 2.459(6) . ?
Sb3 F14 1.760(12) . ?
Sb3 F15 1.792(9) . ?
Sb3 F16 1.849(10) . ?
Sb3 F18 1.875(10) . ?
Sb3 F17 1.878(8) . ?
Sb3 F13 1.892(9) . ?
O2 C5 1.200(9) . ?
O008 C01C 1.197(10) . ?
O009 C01F 1.204(10) . ?
O4 C19 1.354(12) . ?
O4 C22 1.443(13) . ?
O1 C1 1.205(11) . ?
N00F C012 1.390(11) . ?
N00F C013 1.395(11) . ?
N00F C01L 1.425(10) . ?
O00H C01R 1.358(11) . ?
O00H C022 1.430(12) . ?
N1 C16 1.378(11) . ?
N1 C7 1.424(10) . ?
N1 C9 1.436(11) . ?
O00J C01J 1.373(12) . ?
O00J C025 1.463(13) . ?
C7 C8 1.385(11) . ?
C7 C6 1.396(11) . ?
O3 H3E 0.9800 . ?
O3 H3F 0.9800 . ?
C2 C3 1.404(11) . ?
C2 C8 1.412(11) . ?
C2 C1 1.471(11) . ?
C3 C4 1.415(11) . ?
C3 C3 1.459(16) 2_556 ?
C00W C011 1.395(12) . ?
C00W C01P 1.407(12) . ?
C00W C01F 1.472(12) . ?
C8 H8 0.9500 . ?
C4 C6 1.376(11) . ?
C4 C5 1.459(11) . ?
C010 C01I 1.373(12) . ?
C010 C011 1.423(12) . ?
C010 C01C 1.482(12) . ?
C011 C011 1.439(16) 2_666 ?
C012 C014 1.393(13) . ?
C012 C01E 1.396(12) . ?
C013 C01K 1.397(12) . ?
C013 C01M 1.409(12) . ?
C014 C01B 1.366(13) . ?
C014 H014 0.9500 . ?
C6 H6 0.9500 . ?
C5 C1 1.560(12) 2_556 ?
O5 C15 1.358(17) . ?
O5 C12 1.408(15) . ?
C01B C01R 1.377(13) . ?
C01B H01B 0.9500 . ?
C01C C01F 1.542(11) 2_666 ?
C16 C17 1.377(12) . ?
C16 C21 1.430(13) . ?
C01E C01V 1.363(13) . ?
C01E H01E 0.9500 . ?
C17 C18 1.387(13) . ?
C17 H17 0.9500 . ?
C19 C20 1.376(14) . ?
C19 C18 1.413(14) . ?
C01I C01L 1.384(12) . ?
C01I H01I 0.9500 . ?
C01J C01U 1.380(14) . ?
C01J C01Q 1.403(14) . ?
C01K C01Q 1.362(13) . ?
C01K H01K 0.9500 . ?
C01L C01P 1.375(13) . ?
C01M C01U 1.327(14) . ?
C01M H01M 0.9500 . ?
C9 C10 1.376(14) . ?
C9 C14 1.385(14) . ?
C18 H18 0.9500 . ?
C01P H01P 0.9500 . ?
C01Q H01Q 0.9500 . ?
C01R C01V 1.394(14) . ?
C20 C21 1.374(13) . ?
C20 H20 0.9500 . ?
C13 C12 1.382(18) . ?
C13 C14 1.448(16) . ?
C13 H13 0.9500 . ?
C01U H01U 0.9500 . ?
C01V H01V 0.9500 . ?
C21 H21 0.9500 . ?
C10 C11 1.368(14) . ?
C10 H10 0.9500 . ?
C14 H14 0.9500 . ?
C12 C11 1.344(18) . ?
C022 H02A 0.9800 . ?
C022 H02B 0.9800 . ?
C022 H02C 0.9800 . ?
C11 H11 0.9500 . ?
C025 H02D 0.9800 . ?
C025 H02E 0.9800 . ?
C025 H02F 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
Cl1 C23 1.74(2) . ?
Cl2 C23 1.648(19) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
Cl4 C25 1.660(9) . ?
Cl3 C25 1.654(9) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
Cl1A C24 1.658(9) . ?
C24 Cl4A 1.655(9) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
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
C16 N1 C7 C8 43.4(12) . . . . ?
C9 N1 C7 C8 -140.2(8) . . . . ?
C16 N1 C7 C6 -138.1(8) . . . . ?
C9 N1 C7 C6 38.3(11) . . . . ?
C8 C2 C3 C4 -1.2(11) . . . . ?
C1 C2 C3 C4 -179.1(7) . . . . ?
C8 C2 C3 C3 179.4(9) . . . 2_556 ?
C1 C2 C3 C3 1.5(14) . . . 2_556 ?
C6 C7 C8 C2 2.9(12) . . . . ?
N1 C7 C8 C2 -178.6(7) . . . . ?
C3 C2 C8 C7 -1.0(12) . . . . ?
C1 C2 C8 C7 176.9(8) . . . . ?
C2 C3 C4 C6 1.8(11) . . . . ?
C3 C3 C4 C6 -178.8(9) 2_556 . . . ?
C2 C3 C4 C5 178.9(7) . . . . ?
C3 C3 C4 C5 -1.7(13) 2_556 . . . ?
C01P C00W C011 C010 -0.6(13) . . . . ?
C01F C00W C011 C010 179.9(8) . . . . ?
C01P C00W C011 C011 -179.4(10) . . . 2_666 ?
C01F C00W C011 C011 1.1(15) . . . 2_666 ?
C01I C010 C011 C00W -1.0(13) . . . . ?
C01C C010 C011 C00W 176.6(8) . . . . ?
C01I C010 C011 C011 177.8(10) . . . 2_666 ?
C01C C010 C011 C011 -4.6(15) . . . 2_666 ?
C013 N00F C012 C014 -148.9(8) . . . . ?
C01L N00F C012 C014 36.5(11) . . . . ?
C013 N00F C012 C01E 33.2(13) . . . . ?
C01L N00F C012 C01E -141.5(8) . . . . ?
C012 N00F C013 C01K 30.7(12) . . . . ?
C01L N00F C013 C01K -154.8(8) . . . . ?
C012 N00F C013 C01M -147.4(8) . . . . ?
C01L N00F C013 C01M 27.0(11) . . . . ?
N00F C012 C014 C01B -173.9(8) . . . . ?
C01E C012 C014 C01B 4.1(13) . . . . ?
C3 C4 C6 C7 0.0(12) . . . . ?
C5 C4 C6 C7 -177.2(7) . . . . ?
C8 C7 C6 C4 -2.4(12) . . . . ?
N1 C7 C6 C4 179.1(7) . . . . ?
Ag1 O2 C5 C4 -172.2(6) . . . . ?
Ag1 O2 C5 C1 4.9(10) . . . 2_556 ?
C6 C4 C5 O2 -2.2(12) . . . . ?
C3 C4 C5 O2 -179.4(8) . . . . ?
C6 C4 C5 C1 -179.3(7) . . . 2_556 ?
C3 C4 C5 C1 3.5(11) . . . 2_556 ?
C3 C2 C1 O1 177.2(9) . . . . ?
C8 C2 C1 O1 -0.7(14) . . . . ?
C3 C2 C1 C5 -3.2(12) . . . 2_556 ?
C8 C2 C1 C5 178.9(7) . . . 2_556 ?
C012 C014 C01B C01R -1.2(13) . . . . ?
C01I C010 C01C O008 4.6(14) . . . . ?
C011 C010 C01C O008 -173.0(9) . . . . ?
C01I C010 C01C C01F -175.0(8) . . . 2_666 ?
C011 C010 C01C C01F 7.4(12) . . . 2_666 ?
C7 N1 C16 C17 -158.8(8) . . . . ?
C9 N1 C16 C17 25.1(12) . . . . ?
C7 N1 C16 C21 23.0(12) . . . . ?
C9 N1 C16 C21 -153.2(8) . . . . ?
N00F C012 C01E C01V 175.5(8) . . . . ?
C014 C012 C01E C01V -2.5(14) . . . . ?
Ag1 O009 C01F C00W 172.2(6) . . . . ?
Ag1 O009 C01F C01C -6.8(12) . . . 2_666 ?
C011 C00W C01F O009 176.8(9) . . . . ?
C01P C00W C01F O009 -2.7(14) . . . . ?
C011 C00W C01F C01C -4.1(12) . . . 2_666 ?
C01P C00W C01F C01C 176.4(8) . . . 2_666 ?
N1 C16 C17 C18 -177.4(8) . . . . ?
C21 C16 C17 C18 0.8(14) . . . . ?
C22 O4 C19 C20 174.6(10) . . . . ?
C22 O4 C19 C18 -5.5(15) . . . . ?
C011 C010 C01I C01L 1.2(13) . . . . ?
C01C C010 C01I C01L -176.4(8) . . . . ?
C025 O00J C01J C01U 4.7(15) . . . . ?
C025 O00J C01J C01Q -174.7(9) . . . . ?
N00F C013 C01K C01Q -178.9(8) . . . . ?
C01M C013 C01K C01Q -0.7(13) . . . . ?
C010 C01I C01L C01P 0.2(14) . . . . ?
C010 C01I C01L N00F 177.8(8) . . . . ?
C012 N00F C01L C01P 41.5(11) . . . . ?
C013 N00F C01L C01P -133.4(9) . . . . ?
C012 N00F C01L C01I -136.1(9) . . . . ?
C013 N00F C01L C01I 48.9(12) . . . . ?
N00F C013 C01M C01U 179.6(9) . . . . ?
C01K C013 C01M C01U 1.5(13) . . . . ?
C16 N1 C9 C10 -141.4(9) . . . . ?
C7 N1 C9 C10 42.2(11) . . . . ?
C16 N1 C9 C14 40.2(12) . . . . ?
C7 N1 C9 C14 -136.2(9) . . . . ?
C16 C17 C18 C19 -2.2(14) . . . . ?
O4 C19 C18 C17 -179.0(9) . . . . ?
C20 C19 C18 C17 0.9(15) . . . . ?
C01I C01L C01P C00W -1.7(14) . . . . ?
N00F C01L C01P C00W -179.4(8) . . . . ?
C011 C00W C01P C01L 1.9(14) . . . . ?
C01F C00W C01P C01L -178.5(8) . . . . ?
C013 C01K C01Q C01J -0.7(14) . . . . ?
O00J C01J C01Q C01K -179.1(9) . . . . ?
C01U C01J C01Q C01K 1.5(15) . . . . ?
C022 O00H C01R C01B -4.1(15) . . . . ?
C022 O00H C01R C01V 176.0(9) . . . . ?
C014 C01B C01R O00H 176.8(9) . . . . ?
C014 C01B C01R C01V -3.3(14) . . . . ?
O4 C19 C20 C21 -178.2(9) . . . . ?
C18 C19 C20 C21 1.9(16) . . . . ?
C013 C01M C01U C01J -0.7(15) . . . . ?
O00J C01J C01U C01M 179.9(9) . . . . ?
C01Q C01J C01U C01M -0.8(15) . . . . ?
C012 C01E C01V C01R -2.0(15) . . . . ?
O00H C01R C01V C01E -175.2(9) . . . . ?
C01B C01R C01V C01E 5.0(15) . . . . ?
C19 C20 C21 C16 -3.2(16) . . . . ?
C17 C16 C21 C20 1.9(14) . . . . ?
N1 C16 C21 C20 -179.9(9) . . . . ?
C14 C9 C10 C11 -2.2(16) . . . . ?
N1 C9 C10 C11 179.4(10) . . . . ?
C10 C9 C14 C13 0.0(14) . . . . ?
N1 C9 C14 C13 178.4(8) . . . . ?
C12 C13 C14 C9 0.8(15) . . . . ?
C14 C13 C12 C11 0.5(18) . . . . ?
C14 C13 C12 O5 179.1(10) . . . . ?
C15 O5 C12 C11 -177.0(13) . . . . ?
C15 O5 C12 C13 4.3(19) . . . . ?
C13 C12 C11 C10 -3(2) . . . . ?
O5 C12 C11 C10 178.8(11) . . . . ?
C9 C10 C11 C12 3.4(18) . . . . ?
