#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:07:27 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179094 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/56/4305679.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_4305679
loop_
_publ_author_name
'Philip W. Miller'
'Mark Nieuwenhuyzen'
'Jonathan P. H. Charmant'
'Stuart L. James'
_publ_section_title
;
The Cyclic "Silver-Diphos" Motif [Ag2(μ-diphosphine)2]2+ as a Synthon
for Building up Larger Structures
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8367
_journal_page_last               8379
_journal_paper_doi               10.1021/ic800664f
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety
'C144 H112 Ag4 P8 Sn2, 4(F6 Sb), 2(C H Cl3), 4(C H3 N O2)'
_chemical_formula_sum            'C150 H126 Ag4 Cl6 F24 N4 O8 P8 Sb4 Sn2'
_chemical_formula_weight         4184.87
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.845(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.2226(19)
_cell_length_b                   19.3230(16)
_cell_length_c                   23.2909(15)
_cell_measurement_reflns_used    23050
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      70.11
_cell_measurement_theta_min      2.65
_cell_volume                     8322.4(12)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SHELXTL (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  'SHELXTL (Bruker, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.602
_diffrn_detector_type            'Bruker-AXS SMART 6000'
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_details      'frames, 0.3° width'
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker-AXS D8'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'glass fibre'
_diffrn_radiation_collimation    'Osmic CMF12-38Cu6 (blue) mirror optics'
_diffrn_radiation_monochromator  'Osmic CMF12-38Cu6 (blue) mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0724
_diffrn_reflns_av_sigmaI/netI    0.0694
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            51174
_diffrn_reflns_theta_full        70.11
_diffrn_reflns_theta_max         70.11
_diffrn_reflns_theta_min         2.65
_diffrn_source                   rotating-anode
_diffrn_source_current           120
_diffrn_source_power             4.8
_diffrn_source_size              '3 x 0.3mm'
_diffrn_source_target            Cu
_diffrn_source_type              'MAC Science M18XCE'
_diffrn_source_voltage           40
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    13.388
_exptl_absorpt_correction_T_max  0.510
_exptl_absorpt_correction_T_min  0.214
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2001)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4096
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.217
_refine_diff_density_min         -4.504
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1066
_refine_ls_number_reflns         15390
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0652
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+45.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1784
_refine_ls_wR_factor_ref         0.1891
_reflns_number_gt                13167
_reflns_number_total             15390
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic800664f-file002_1.cif
_cod_data_source_block           pm2_514a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4305679
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1656(3) 0.5115(3) 0.8928(3) 0.0272(12) Uani 1 1 d . . .
C2 C 0.2217(3) 0.4998(3) 0.9444(3) 0.0284(12) Uani 1 1 d . . .
H2 H 0.2499 0.5376 0.9641 0.034 Uiso 1 1 calc R . .
C3 C 0.2366(3) 0.4328(3) 0.9671(3) 0.0268(12) Uani 1 1 d . . .
C4 C 0.1968(3) 0.3777(3) 0.9375(3) 0.0298(13) Uani 1 1 d . . .
H4 H 0.2063 0.3322 0.9533 0.036 Uiso 1 1 calc R . .
C5 C 0.1423(3) 0.3884(3) 0.8843(3) 0.0290(13) Uani 1 1 d . . .
C6 C 0.1264(3) 0.4552(3) 0.8628(3) 0.0284(13) Uani 1 1 d . . .
H6 H 0.0885 0.4627 0.8274 0.034 Uiso 1 1 calc R . .
C7 C 0.0533(3) 0.6551(3) 0.8919(3) 0.0285(12) Uani 1 1 d . . .
C8 C 0.0161(3) 0.3631(3) 1.1402(3) 0.0274(12) Uani 1 1 d . . .
H8 H 0.0229 0.3960 1.1715 0.033 Uiso 1 1 calc R . .
C9 C 0.0763(3) 0.3333(3) 1.1270(3) 0.0292(12) Uani 1 1 d . . .
C10 C 0.0655(3) 0.2872(3) 1.0790(3) 0.0287(12) Uani 1 1 d . . .
H10 H 0.1059 0.2682 1.0685 0.034 Uiso 1 1 calc R . .
C11 C -0.0045(3) 0.2689(3) 1.0464(3) 0.0262(12) Uani 1 1 d . . .
C12 C -0.0637(3) 0.2977(3) 1.0614(3) 0.0264(12) Uani 1 1 d . . .
H12 H -0.1113 0.2851 1.0397 0.032 Uiso 1 1 calc R . .
C13 C 0.2324(4) 0.6820(4) 0.8866(4) 0.0435(17) Uani 1 1 d . . .
C14 C 0.2684(4) 0.6970(5) 0.9466(4) 0.060(2) Uani 1 1 d . . .
H14 H 0.2540 0.6759 0.9784 0.072 Uiso 1 1 calc R . .
C15 C 0.3269(6) 0.7445(6) 0.9584(6) 0.073(3) Uani 1 1 d . . .
H15 H 0.3526 0.7544 0.9985 0.087 Uiso 1 1 calc R . .
C16 C 0.3467(6) 0.7759(7) 0.9137(7) 0.092(4) Uani 1 1 d . . .
H16 H 0.3871 0.8063 0.9224 0.110 Uiso 1 1 calc R . .
C17 C 0.3112(10) 0.7648(11) 0.8597(8) 0.164(10) Uani 1 1 d . . .
H17 H 0.3242 0.7892 0.8287 0.197 Uiso 1 1 calc R . .
C18 C 0.2533(7) 0.7174(9) 0.8446(6) 0.112(6) Uani 1 1 d . . .
H18 H 0.2285 0.7103 0.8038 0.134 Uiso 1 1 calc R . .
C19 C 0.0941(4) 0.6202(4) 0.7667(3) 0.0404(16) Uani 1 1 d . . .
C20 C 0.0614(4) 0.6828(5) 0.7435(4) 0.055(2) Uani 1 1 d . . .
H20 H 0.0623 0.7205 0.7699 0.066 Uiso 1 1 calc R . .
C21 C 0.0284(5) 0.6912(8) 0.6844(5) 0.078(4) Uani 1 1 d . . .
H21 H 0.0061 0.7339 0.6696 0.093 Uiso 1 1 calc R . .
C22 C 0.0281(7) 0.6361(10) 0.6461(5) 0.109(6) Uani 1 1 d . . .
H22 H 0.0064 0.6415 0.6045 0.131 Uiso 1 1 calc R . .
C23 C 0.0578(8) 0.5756(8) 0.6671(5) 0.095(5) Uani 1 1 d . . .
H23 H 0.0553 0.5381 0.6402 0.114 Uiso 1 1 calc R . .
C24 C 0.0921(6) 0.5656(6) 0.7271(4) 0.068(3) Uani 1 1 d . . .
H24 H 0.1140 0.5225 0.7409 0.081 Uiso 1 1 calc R . .
C25 C 0.3578(3) 0.4951(4) 1.0534(3) 0.0356(14) Uani 1 1 d . . .
C26 C 0.3458(9) 0.5416(7) 1.0941(5) 0.106(5) Uani 1 1 d . . .
H26 H 0.3132 0.5302 1.1169 0.127 Uiso 1 1 calc R . .
C27 C 0.3808(12) 0.6053(9) 1.1024(7) 0.139(8) Uani 1 1 d . . .
H27 H 0.3677 0.6399 1.1265 0.167 Uiso 1 1 calc R . .
C28 C 0.4354(8) 0.6175(7) 1.0747(6) 0.100(5) Uani 1 1 d . . .
H28 H 0.4675 0.6554 1.0870 0.120 Uiso 1 1 calc R . .
C29 C 0.4430(5) 0.5742(5) 1.0290(5) 0.065(3) Uani 1 1 d . . .
H29 H 0.4741 0.5865 1.0052 0.078 Uiso 1 1 calc R . .
C30 C 0.4044(4) 0.5134(5) 1.0190(5) 0.059(2) Uani 1 1 d . . .
H30 H 0.4095 0.4832 0.9882 0.071 Uiso 1 1 calc R . .
C31 C 0.3638(3) 0.3498(4) 1.0231(3) 0.0343(14) Uani 1 1 d . . .
C32 C 0.4091(5) 0.3167(5) 1.0721(4) 0.060(2) Uani 1 1 d . . .
H32 H 0.4067 0.3281 1.1112 0.071 Uiso 1 1 calc R . .
C33 C 0.4575(6) 0.2674(6) 1.0644(5) 0.076(3) Uani 1 1 d . . .
H33 H 0.4906 0.2472 1.0982 0.091 Uiso 1 1 calc R . .
C34 C 0.4581(5) 0.2474(5) 1.0084(5) 0.061(2) Uani 1 1 d . . .
H34 H 0.4891 0.2111 1.0033 0.073 Uiso 1 1 calc R . .
C35 C 0.4136(4) 0.2799(5) 0.9593(4) 0.0503(19) Uani 1 1 d . . .
H35 H 0.4150 0.2667 0.9204 0.060 Uiso 1 1 calc R . .
C36 C 0.3670(4) 0.3318(4) 0.9665(3) 0.0386(15) Uani 1 1 d . . .
H36 H 0.3373 0.3549 0.9326 0.046 Uiso 1 1 calc R . .
C37 C 0.0439(3) 0.3413(3) 0.7734(3) 0.0324(13) Uani 1 1 d . . .
C38 C 0.0766(5) 0.3640(5) 0.7309(3) 0.0469(18) Uani 1 1 d . . .
H38 H 0.1279 0.3645 0.7398 0.056 Uiso 1 1 calc R . .
C39 C 0.0360(6) 0.3859(4) 0.6757(4) 0.055(2) Uani 1 1 d . . .
H39 H 0.0594 0.4007 0.6468 0.066 Uiso 1 1 calc R . .
C40 C -0.0373(7) 0.3866(6) 0.6624(5) 0.079(3) Uani 1 1 d . . .
H40 H -0.0651 0.4058 0.6257 0.094 Uiso 1 1 calc R . .
C41 C -0.0710(6) 0.3598(10) 0.7019(6) 0.116(6) Uani 1 1 d . . .
H41 H -0.1222 0.3560 0.6913 0.140 Uiso 1 1 calc R . .
C42 C -0.0295(5) 0.3378(7) 0.7580(5) 0.087(4) Uani 1 1 d . . .
H42 H -0.0530 0.3201 0.7858 0.104 Uiso 1 1 calc R . .
C43 C 0.1668(4) 0.2579(4) 0.8362(3) 0.0380(15) Uani 1 1 d . . .
C44 C 0.1578(5) 0.1877(5) 0.8381(4) 0.059(2) Uani 1 1 d . . .
H44 H 0.1159 0.1687 0.8462 0.071 Uiso 1 1 calc R . .
C45 C 0.2126(7) 0.1440(6) 0.8275(6) 0.091(4) Uani 1 1 d . . .
H45 H 0.2072 0.0951 0.8274 0.110 Uiso 1 1 calc R . .
C46 C 0.2729(6) 0.1731(9) 0.8177(6) 0.097(5) Uani 1 1 d . . .
H46 H 0.3098 0.1437 0.8116 0.117 Uiso 1 1 calc R . .
C47 C 0.2820(5) 0.2435(8) 0.8164(5) 0.078(4) Uani 1 1 d . . .
H47 H 0.3246 0.2623 0.8094 0.093 Uiso 1 1 calc R . .
C48 C 0.2286(4) 0.2866(5) 0.8253(4) 0.052(2) Uani 1 1 d . . .
H48 H 0.2339 0.3354 0.8239 0.063 Uiso 1 1 calc R . .
C49 C 0.1706(3) 0.4030(3) 1.2330(3) 0.0318(13) Uani 1 1 d . . .
C50 C 0.2218(4) 0.4561(4) 1.2451(3) 0.0444(17) Uani 1 1 d . . .
H50 H 0.2515 0.4635 1.2190 0.053 Uiso 1 1 calc R . .
C51 C 0.2298(5) 0.4979(5) 1.2945(4) 0.060(2) Uani 1 1 d . . .
H51 H 0.2660 0.5327 1.3033 0.072 Uiso 1 1 calc R . .
C52 C 0.1851(5) 0.4889(5) 1.3309(4) 0.061(2) Uani 1 1 d . . .
H52 H 0.1900 0.5185 1.3643 0.073 Uiso 1 1 calc R . .
C53 C 0.1333(4) 0.4376(4) 1.3198(3) 0.0457(18) Uani 1 1 d . . .
H53 H 0.1018 0.4330 1.3447 0.055 Uiso 1 1 calc R . .
C54 C 0.1271(4) 0.3926(4) 1.2720(3) 0.0378(15) Uani 1 1 d . . .
H54 H 0.0938 0.3552 1.2658 0.045 Uiso 1 1 calc R . .
C55 C 0.1871(4) 0.2609(4) 1.2105(3) 0.0356(14) Uani 1 1 d . . .
C56 C 0.2585(4) 0.2425(4) 1.2370(4) 0.0481(18) Uani 1 1 d . . .
H56 H 0.2973 0.2705 1.2325 0.058 Uiso 1 1 calc R . .
C57 C 0.2717(6) 0.1811(6) 1.2706(5) 0.070(3) Uani 1 1 d . . .
H57 H 0.3202 0.1682 1.2896 0.084 Uiso 1 1 calc R . .
C58 C 0.2165(6) 0.1396(5) 1.2766(5) 0.066(3) Uani 1 1 d . . .
H58 H 0.2266 0.0981 1.2993 0.079 Uiso 1 1 calc R . .
C59 C 0.1463(6) 0.1584(5) 1.2498(4) 0.059(2) Uani 1 1 d . . .
H59 H 0.1077 0.1298 1.2537 0.070 Uiso 1 1 calc R . .
C60 C 0.1317(5) 0.2181(4) 1.2175(4) 0.0470(17) Uani 1 1 d . . .
H60 H 0.0829 0.2307 1.1994 0.056 Uiso 1 1 calc R . .
C61 C 0.0356(4) 0.1326(3) 1.0160(3) 0.0349(14) Uani 1 1 d . . .
C62 C 0.0487(4) 0.1147(4) 1.0763(3) 0.0414(16) Uani 1 1 d . . .
H62 H 0.0316 0.1437 1.1025 0.050 Uiso 1 1 calc R . .
C63 C 0.0862(5) 0.0550(4) 1.0976(4) 0.0523(19) Uani 1 1 d . . .
H63 H 0.0944 0.0428 1.1384 0.063 Uiso 1 1 calc R . .
C64 C 0.1120(6) 0.0127(4) 1.0600(5) 0.062(2) Uani 1 1 d . . .
H64 H 0.1385 -0.0281 1.0748 0.075 Uiso 1 1 calc R . .
C65 C 0.0986(6) 0.0307(5) 1.0004(4) 0.064(3) Uani 1 1 d . . .
H65 H 0.1155 0.0015 0.9743 0.077 Uiso 1 1 calc R . .
C66 C 0.0617(5) 0.0895(4) 0.9784(4) 0.0479(19) Uani 1 1 d . . .
H66 H 0.0538 0.1012 0.9374 0.058 Uiso 1 1 calc R . .
C67 C -0.1104(4) 0.1848(4) 0.9647(3) 0.0375(15) Uani 1 1 d . . .
C68 C -0.1394(4) 0.1511(4) 1.0054(4) 0.0412(16) Uani 1 1 d . . .
H68 H -0.1092 0.1384 1.0435 0.049 Uiso 1 1 calc R . .
C69 C -0.2126(4) 0.1359(4) 0.9903(4) 0.0481(19) Uani 1 1 d . . .
H69 H -0.2327 0.1129 1.0181 0.058 Uiso 1 1 calc R . .
C70 C -0.2558(5) 0.1538(6) 0.9355(4) 0.068(3) Uani 1 1 d . . .
H70 H -0.3062 0.1441 0.9258 0.081 Uiso 1 1 calc R . .
C71 C -0.2273(5) 0.1859(8) 0.8941(4) 0.086(4) Uani 1 1 d . . .
H71 H -0.2576 0.1969 0.8556 0.103 Uiso 1 1 calc R . .
C72 C -0.1544(4) 0.2022(5) 0.9088(3) 0.057(2) Uani 1 1 d . . .
H72 H -0.1346 0.2251 0.8808 0.068 Uiso 1 1 calc R . .
Ag1 Ag 0.24640(2) 0.37896(3) 1.11205(2) 0.03792(15) Uani 1 1 d . . .
Ag2 Ag 0.02635(2) 0.25939(2) 0.90609(2) 0.03144(13) Uani 1 1 d . . .
P1 P 0.30382(8) 0.41633(9) 1.03808(7) 0.0279(3) Uani 1 1 d . . .
P2 P 0.09458(8) 0.31261(8) 0.84679(7) 0.0267(3) Uani 1 1 d . . .
P3 P 0.16921(8) 0.34429(9) 1.17215(7) 0.0285(3) Uani 1 1 d . . .
P4 P -0.01552(8) 0.20933(8) 0.98387(7) 0.0285(3) Uani 1 1 d . . .
Sn1 Sn 0.14062(2) 0.61457(2) 0.860901(18) 0.02871(13) Uani 1 1 d . . .
Sb1 Sb 0.05066(3) 0.90668(3) 0.23328(3) 0.05626(17) Uani 1 1 d . . .
F1 F -0.0297(4) 0.9387(5) 0.1745(4) 0.126(3) Uani 1 1 d . A .
F2 F 0.1292(3) 0.8726(4) 0.2930(2) 0.0770(17) Uani 1 1 d . A .
F3A F -0.0042(6) 0.8990(6) 0.2815(5) 0.057(2) Uani 0.50 1 d PU A 1
F4A F 0.1154(7) 0.9138(7) 0.1779(5) 0.073(4) Uani 0.50 1 d P A 1
F5A F 0.0342(12) 0.8171(6) 0.2060(7) 0.084(5) Uani 0.50 1 d P A 1
F6A F 0.0723(12) 0.9978(7) 0.2527(8) 0.103(7) Uani 0.50 1 d P A 1
F3B F 0.0264(14) 0.9628(12) 0.3015(11) 0.187(11) Uani 0.50 1 d PD A 2
F4B F 0.0518(13) 0.8451(13) 0.1871(8) 0.177(15) Uani 0.50 1 d PD A 2
F5B F -0.0137(8) 0.8409(11) 0.2694(7) 0.115(6) Uani 0.50 1 d PD A 2
F6B F 0.1001(8) 0.9687(13) 0.2228(10) 0.27(3) Uani 0.50 1 d PD A 2
Sb2 Sb 0.90149(5) 0.44195(5) 0.92736(4) 0.0413(2) Uani 0.50 1 d P . .
F7 F 0.8170(7) 0.4642(6) 0.8721(6) 0.078(3) Uani 0.50 1 d P . .
F8 F 0.9831(5) 0.4110(7) 0.9740(7) 0.095(5) Uani 0.50 1 d P . .
F9 F 0.9067(5) 0.3612(5) 0.8916(5) 0.058(2) Uani 0.50 1 d P . .
F10 F 0.8822(11) 0.5183(8) 0.9499(11) 0.171(12) Uani 0.50 1 d P . .
F11 F 0.9459(8) 0.4706(9) 0.8649(11) 0.183(12) Uani 0.50 1 d P . .
F12 F 0.8460(6) 0.4002(6) 0.9722(6) 0.077(3) Uani 0.50 1 d P . .
Sb3 Sb 0.09918(7) 0.48284(5) 0.50974(4) 0.0520(3) Uani 0.50 1 d P . .
F13 F 0.1089(7) 0.5758(6) 0.5386(5) 0.069(3) Uani 0.50 1 d P . .
F14 F 0.0913(7) 0.3942(6) 0.4808(6) 0.077(3) Uani 0.50 1 d P . .
F15 F 0.0295(8) 0.4620(7) 0.5487(6) 0.084(4) Uani 0.50 1 d P . .
F16 F 0.0217(9) 0.5109(7) 0.4437(5) 0.090(4) Uani 0.50 1 d P . .
F17 F 0.1538(7) 0.4998(5) 0.4657(5) 0.072(3) Uani 0.50 1 d P . .
F18 F 0.1745(7) 0.4625(8) 0.5800(7) 0.099(5) Uani 0.50 1 d P . .
C73 C 0.3839(11) 0.5719(17) 0.8504(15) 0.230(17) Uani 1 1 d . . .
H73A H 0.3632 0.6166 0.8568 0.345 Uiso 1 1 calc R . .
H73B H 0.4050 0.5754 0.8167 0.345 Uiso 1 1 calc R . .
H73C H 0.4217 0.5589 0.8865 0.345 Uiso 1 1 calc R . .
N1 N 0.3260(10) 0.5181(13) 0.8373(9) 0.191(11) Uani 1 1 d . . .
O1 O 0.2701(8) 0.5347(10) 0.8009(7) 0.181(7) Uani 1 1 d . . .
O2 O 0.3365(7) 0.4611(8) 0.8638(6) 0.154(6) Uani 1 1 d . . .
C74 C 0.2304(9) 0.6542(9) 0.4957(10) 0.132(7) Uani 1 1 d . . .
H74A H 0.2020 0.6162 0.4730 0.199 Uiso 1 1 calc R . .
H74B H 0.1999 0.6813 0.5150 0.199 Uiso 1 1 calc R . .
H74C H 0.2716 0.6353 0.5263 0.199 Uiso 1 1 calc R . .
N2 N 0.2562(5) 0.6981(5) 0.4561(5) 0.071(2) Uani 1 1 d . . .
O3 O 0.2349(9) 0.6918(14) 0.4069(6) 0.239(12) Uani 1 1 d . . .
O4 O 0.2982(6) 0.7398(5) 0.4786(6) 0.117(4) Uani 1 1 d . . .
C75A C 0.1821(8) 0.9268(8) 0.8290(12) 0.405(14) Uani 0.193(9) 1 d P B 1
H75A H 0.1982 0.8851 0.8546 0.486 Uiso 0.193(9) 1 calc PR B 1
Cl1A Cl 0.0910(7) 0.9121(7) 0.7961(6) 0.128(4) Uani 0.193(9) 1 d P B 1
Cl2A Cl 0.1505(18) 0.9696(17) 0.8637(12) 0.156(13) Uani 0.193(9) 1 d P B 1
Cl3A Cl 0.2408(12) 0.9328(17) 0.7900(10) 0.138(11) Uani 0.193(9) 1 d P B 1
C75B C 0.0910(7) 0.9121(7) 0.7961(6) 0.128(4) Uani 0.807(9) 1 d P B 2
H75B H 0.0615 0.9538 0.7994 0.153 Uiso 0.807(9) 1 calc PR B 2
Cl1B Cl 0.1821(8) 0.9268(8) 0.8290(12) 0.405(14) Uani 0.807(9) 1 d P B 2
Cl2B Cl 0.0775(12) 0.8871(8) 0.7195(7) 0.339(11) Uani 0.807(9) 1 d P B 2
Cl3B Cl 0.0658(5) 0.8473(5) 0.8254(4) 0.190(4) Uani 0.807(9) 1 d P B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 '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
C2 C1 C6 119.3(6) . . ?
C2 C1 Sn1 119.9(5) . . ?
C6 C1 Sn1 120.8(5) . . ?
C1 C2 C3 120.4(6) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C4 C3 C2 119.8(6) . . ?
C4 C3 P1 118.4(5) . . ?
C2 C3 P1 121.7(5) . . ?
C3 C4 C5 120.3(6) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C6 C5 C4 119.7(6) . . ?
C6 C5 P2 122.9(5) . . ?
C4 C5 P2 117.5(5) . . ?
C5 C6 C1 120.5(6) . . ?
C5 C6 H6 119.8 . . ?
C1 C6 H6 119.8 . . ?
C8 C7 C12 120.0(5) 3_567 3_567 ?
C8 C7 Sn1 116.8(4) 3_567 . ?
C12 C7 Sn1 123.0(4) 3_567 . ?
C7 C8 C9 120.6(6) 3_567 . ?
C7 C8 H8 119.7 3_567 . ?
C9 C8 H8 119.7 . . ?
C8 C9 C10 119.1(6) . . ?
C8 C9 P3 124.4(5) . . ?
C10 C9 P3 116.3(5) . . ?
C11 C10 C9 120.3(5) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C12 C11 C10 119.6(6) . . ?
C12 C11 P4 121.8(5) . . ?
C10 C11 P4 118.6(4) . . ?
C7 C12 C11 120.4(6) 3_567 . ?
C7 C12 H12 119.8 3_567 . ?
C11 C12 H12 119.8 . . ?
C18 C13 C14 116.9(8) . . ?
C18 C13 Sn1 119.6(7) . . ?
C14 C13 Sn1 123.1(6) . . ?
C13 C14 C15 118.3(9) . . ?
C13 C14 H14 120.9 . . ?
C15 C14 H14 120.9 . . ?
C16 C15 C14 121.2(11) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C17 C16 C15 120.0(10) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 C18 121.8(12) . . ?
C16 C17 H17 119.1 . . ?
C18 C17 H17 119.1 . . ?
C13 C18 C17 121.6(12) . . ?
C13 C18 H18 119.2 . . ?
C17 C18 H18 119.2 . . ?
C24 C19 C20 117.9(8) . . ?
C24 C19 Sn1 124.7(7) . . ?
C20 C19 Sn1 117.3(6) . . ?
C21 C20 C19 122.1(11) . . ?
C21 C20 H20 119.0 . . ?
C19 C20 H20 119.0 . . ?
C20 C21 C22 118.6(12) . . ?
C20 C21 H21 120.7 . . ?
C22 C21 H21 120.7 . . ?
C23 C22 C21 120.6(11) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 122.0(13) . . ?
C22 C23 H23 119.0 . . ?
C24 C23 H23 119.0 . . ?
C23 C24 C19 118.8(11) . . ?
C23 C24 H24 120.6 . . ?
C19 C24 H24 120.6 . . ?
C26 C25 C30 119.1(7) . . ?
C26 C25 P1 119.2(6) . . ?
C30 C25 P1 121.2(6) . . ?
C25 C26 C27 120.6(10) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C26 C27 C28 118.8(13) . . ?
C26 C27 H27 120.6 . . ?
C28 C27 H27 120.6 . . ?
C29 C28 C27 120.1(9) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C30 C29 C28 118.6(9) . . ?
C30 C29 H29 120.7 . . ?
C28 C29 H29 120.7 . . ?
C29 C30 C25 121.2(8) . . ?
C29 C30 H30 119.4 . . ?
C25 C30 H30 119.4 . . ?
C36 C31 C32 119.1(7) . . ?
C36 C31 P1 123.8(5) . . ?
C32 C31 P1 117.0(6) . . ?
C33 C32 C31 120.3(9) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C34 C33 C32 120.3(9) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C33 C34 C35 119.9(8) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C35 C36 120.4(8) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C31 C36 C35 119.8(7) . . ?
C31 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
C42 C37 C38 118.0(7) . . ?
C42 C37 P2 119.2(6) . . ?
C38 C37 P2 122.8(5) . . ?
C39 C38 C37 120.9(8) . . ?
C39 C38 H38 119.5 . . ?
C37 C38 H38 119.5 . . ?
C40 C39 C38 120.4(9) . . ?
C40 C39 H39 119.8 . . ?
C38 C39 H39 119.8 . . ?
C39 C40 C41 119.8(9) . . ?
C39 C40 H40 120.1 . . ?
C41 C40 H40 120.1 . . ?
C40 C41 C42 119.5(10) . . ?
C40 C41 H41 120.3 . . ?
C42 C41 H41 120.3 . . ?
C37 C42 C41 121.2(9) . . ?
C37 C42 H42 119.4 . . ?
C41 C42 H42 119.4 . . ?
C44 C43 C48 121.4(7) . . ?
C44 C43 P2 117.6(6) . . ?
C48 C43 P2 120.9(6) . . ?
C43 C44 C45 118.4(10) . . ?
C43 C44 H44 120.8 . . ?
C45 C44 H44 120.8 . . ?
C46 C45 C44 119.2(12) . . ?
C46 C45 H45 120.4 . . ?
C44 C45 H45 120.4 . . ?
C45 C46 C47 122.2(9) . . ?
C45 C46 H46 118.9 . . ?
C47 C46 H46 118.9 . . ?
C46 C47 C48 119.3(10) . . ?
C46 C47 H47 120.4 . . ?
C48 C47 H47 120.4 . . ?
C47 C48 C43 119.4(10) . . ?
C47 C48 H48 120.3 . . ?
C43 C48 H48 120.3 . . ?
C50 C49 C54 119.0(6) . . ?
C50 C49 P3 118.5(5) . . ?
C54 C49 P3 122.2(5) . . ?
C51 C50 C49 120.6(7) . . ?
C51 C50 H50 119.7 . . ?
C49 C50 H50 119.7 . . ?
C52 C51 C50 119.7(8) . . ?
C52 C51 H51 120.2 . . ?
C50 C51 H51 120.2 . . ?
C51 C52 C53 121.1(8) . . ?
C51 C52 H52 119.4 . . ?
C53 C52 H52 119.4 . . ?
C52 C53 C54 119.9(7) . . ?
C52 C53 H53 120.0 . . ?
C54 C53 H53 120.0 . . ?
C53 C54 C49 119.4(7) . . ?
C53 C54 H54 120.3 . . ?
C49 C54 H54 120.3 . . ?
C56 C55 C60 119.4(7) . . ?
C56 C55 P3 118.3(6) . . ?
C60 C55 P3 122.1(6) . . ?
C55 C56 C57 118.0(8) . . ?
C55 C56 H56 121.0 . . ?
C57 C56 H56 121.0 . . ?
C58 C57 C56 121.7(9) . . ?
C58 C57 H57 119.2 . . ?
C56 C57 H57 119.2 . . ?
C57 C58 C59 119.4(9) . . ?
C57 C58 H58 120.3 . . ?
C59 C58 H58 120.3 . . ?
C60 C59 C58 120.3(9) . . ?
C60 C59 H59 119.8 . . ?
C58 C59 H59 119.8 . . ?
C59 C60 C55 121.2(8) . . ?
C59 C60 H60 119.4 . . ?
C55 C60 H60 119.4 . . ?
C66 C61 C62 119.0(7) . . ?
C66 C61 P4 118.2(6) . . ?
C62 C61 P4 122.8(5) . . ?
C63 C62 C61 120.1(7) . . ?
C63 C62 H62 120.0 . . ?
C61 C62 H62 120.0 . . ?
C62 C63 C64 120.5(8) . . ?
C62 C63 H63 119.8 . . ?
C64 C63 H63 119.8 . . ?
C65 C64 C63 119.0(8) . . ?
C65 C64 H64 120.5 . . ?
C63 C64 H64 120.5 . . ?
C66 C65 C64 121.5(8) . . ?
C66 C65 H65 119.2 . . ?
C64 C65 H65 119.2 . . ?
C65 C66 C61 119.9(7) . . ?
C65 C66 H66 120.0 . . ?
C61 C66 H66 120.0 . . ?
C72 C67 C68 120.0(7) . . ?
C72 C67 P4 118.8(5) . . ?
C68 C67 P4 121.2(6) . . ?
C69 C68 C67 119.7(8) . . ?
C69 C68 H68 120.2 . . ?
C67 C68 H68 120.2 . . ?
C70 C69 C68 120.1(7) . . ?
C70 C69 H69 119.9 . . ?
C68 C69 H69 119.9 . . ?
C69 C70 C71 120.8(8) . . ?
C69 C70 H70 119.6 . . ?
C71 C70 H70 119.6 . . ?
C70 C71 C72 119.7(9) . . ?
C70 C71 H71 120.1 . . ?
C72 C71 H71 120.1 . . ?
C67 C72 C71 119.7(8) . . ?
C67 C72 H72 120.2 . . ?
C71 C72 H72 120.2 . . ?
P3 Ag1 P1 169.72(6) . . ?
P4 Ag2 P2 166.21(6) . . ?
C25 P1 C31 105.7(3) . . ?
C25 P1 C3 104.8(3) . . ?
C31 P1 C3 106.1(3) . . ?
C25 P1 Ag1 117.4(2) . . ?
C31 P1 Ag1 111.4(2) . . ?
C3 P1 Ag1 110.64(18) . . ?
C37 P2 C43 106.5(3) . . ?
C37 P2 C5 106.1(3) . . ?
C43 P2 C5 103.3(3) . . ?
C37 P2 Ag2 116.1(2) . . ?
C43 P2 Ag2 113.0(3) . . ?
C5 P2 Ag2 110.78(19) . . ?
C49 P3 C9 109.1(3) . . ?
C49 P3 C55 102.1(3) . . ?
C9 P3 C55 101.7(3) . . ?
C49 P3 Ag1 113.8(2) . . ?
C9 P3 Ag1 111.18(19) . . ?
C55 P3 Ag1 117.8(2) . . ?
C67 P4 C61 106.3(3) . . ?
C67 P4 C11 104.6(3) . . ?
C61 P4 C11 104.7(3) . . ?
C67 P4 Ag2 116.3(2) . . ?
C61 P4 Ag2 112.8(2) . . ?
C11 P4 Ag2 111.21(19) . . ?
C19 Sn1 C1 113.4(3) . . ?
C19 Sn1 C13 109.8(3) . . ?
C1 Sn1 C13 112.3(3) . . ?
C19 Sn1 C7 100.4(3) . . ?
C1 Sn1 C7 110.2(2) . . ?
C13 Sn1 C7 110.1(3) . . ?
F6B Sb1 F4B 109.7(9) . . ?
F6B Sb1 F3A 130.9(11) . . ?
F4B Sb1 F3A 119.3(9) . . ?
F6B Sb1 F6A 37.8(11) . . ?
F4B Sb1 F6A 146.1(9) . . ?
F3A Sb1 F6A 93.4(7) . . ?
F6B Sb1 F5A 135.2(11) . . ?
F4B Sb1 F5A 26.6(9) . . ?
F3A Sb1 F5A 93.7(7) . . ?
F6A Sb1 F5A 172.7(8) . . ?
F6B Sb1 F1 92.7(7) . . ?
F4B Sb1 F1 85.1(9) . . ?
F3A Sb1 F1 88.6(5) . . ?
F6A Sb1 F1 87.1(7) . . ?
F5A Sb1 F1 91.6(7) . . ?
F6B Sb1 F2 89.1(7) . . ?
F4B Sb1 F2 94.6(9) . . ?
F3A Sb1 F2 89.9(4) . . ?
F6A Sb1 F2 94.1(7) . . ?
F5A Sb1 F2 87.3(6) . . ?
F1 Sb1 F2 178.2(4) . . ?
F6B Sb1 F4A 49.8(11) . . ?
F4B Sb1 F4A 60.1(9) . . ?
F3A Sb1 F4A 178.9(5) . . ?
F6A Sb1 F4A 87.4(7) . . ?
F5A Sb1 F4A 85.5(7) . . ?
F1 Sb1 F4A 92.2(5) . . ?
F2 Sb1 F4A 89.2(4) . . ?
F6B Sb1 F3B 89.6(10) . . ?
F4B Sb1 F3B 160.7(10) . . ?
F3A Sb1 F3B 41.5(6) . . ?
F6A Sb1 F3B 52.8(8) . . ?
F5A Sb1 F3B 134.5(8) . . ?
F1 Sb1 F3B 94.3(9) . . ?
F2 Sb1 F3B 85.4(8) . . ?
F4A Sb1 F3B 139.1(8) . . ?
F6B Sb1 F5B 163.6(11) . . ?
F4B Sb1 F5B 86.4(9) . . ?
F3A Sb1 F5B 33.5(5) . . ?
F6A Sb1 F5B 126.9(8) . . ?
F5A Sb1 F5B 60.3(8) . . ?
F1 Sb1 F5B 92.0(5) . . ?
F2 Sb1 F5B 86.2(5) . . ?
F4A Sb1 F5B 145.7(7) . . ?
F3B Sb1 F5B 74.4(6) . . ?
F10 Sb2 F8 110.5(11) . . ?
F10 Sb2 F9 168.9(9) . . ?
F8 Sb2 F9 80.5(6) . . ?
F10 Sb2 F7 77.2(9) . . ?
F8 Sb2 F7 172.1(7) . . ?
F9 Sb2 F7 91.7(5) . . ?
F10 Sb2 F12 89.7(5) . . ?
F8 Sb2 F12 93.3(5) . . ?
F9 Sb2 F12 89.8(5) . . ?
F7 Sb2 F12 87.8(6) . . ?
F10 Sb2 F11 99.5(7) . . ?
F8 Sb2 F11 93.4(6) . . ?
F9 Sb2 F11 79.0(7) . . ?
F7 Sb2 F11 83.9(7) . . ?
F12 Sb2 F11 165.9(9) . . ?
F17 Sb3 F14 87.8(5) . . ?
F17 Sb3 F15 172.3(6) . . ?
F14 Sb3 F15 88.7(6) . . ?
F17 Sb3 F16 86.1(7) . . ?
F14 Sb3 F16 90.0(6) . . ?
F15 Sb3 F16 87.0(6) . . ?
F17 Sb3 F18 96.3(6) . . ?
F14 Sb3 F18 95.2(7) . . ?
F15 Sb3 F18 90.9(7) . . ?
F16 Sb3 F18 174.3(7) . . ?
F17 Sb3 F13 90.8(5) . . ?
F14 Sb3 F13 178.6(5) . . ?
F15 Sb3 F13 92.6(5) . . ?
F16 Sb3 F13 89.8(6) . . ?
F18 Sb3 F13 85.1(6) . . ?
N1 C73 H73A 109.5 . . ?
N1 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
N1 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
O1 N1 O2 125(3) . . ?
O1 N1 C73 115(2) . . ?
O2 N1 C73 120(2) . . ?
N2 C74 H74A 109.5 . . ?
N2 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
N2 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
O3 N2 O4 123.9(15) . . ?
O3 N2 C74 120.0(15) . . ?
O4 N2 C74 116.0(13) . . ?
Cl2A C75A Cl3A 139(2) . . ?
Cl2A C75A Cl1A 78.9(19) . . ?
Cl3A C75A Cl1A 122.3(19) . . ?
Cl2A C75A H75A 104.0 . . ?
Cl3A C75A H75A 104.0 . . ?
Cl1A C75A H75A 104.0 . . ?
C75A Cl2A Cl1A 57.8(15) . . ?
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
C1 C2 1.395(9) . ?
C1 C6 1.398(9) . ?
C1 Sn1 2.134(6) . ?
C2 C3 1.398(9) . ?
C2 H2 0.9500 . ?
C3 C4 1.382(9) . ?
C3 P1 1.827(6) . ?
C4 C5 1.403(9) . ?
C4 H4 0.9500 . ?
C5 C6 1.388(9) . ?
C5 P2 1.820(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.385(9) 3_567 ?
C7 C12 1.390(9) 3_567 ?
C7 Sn1 2.148(6) . ?
C8 C7 1.385(9) 3_567 ?
C8 C9 1.400(8) . ?
C8 H8 0.9500 . ?
C9 C10 1.401(9) . ?
C9 P3 1.821(6) . ?
C10 C11 1.397(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.394(8) . ?
C11 P4 1.823(6) . ?
C12 C7 1.390(9) 3_567 ?
C12 H12 0.9500 . ?
C13 C18 1.342(13) . ?
C13 C14 1.411(13) . ?
C13 Sn1 2.142(7) . ?
C14 C15 1.419(14) . ?
C14 H14 0.9500 . ?
C15 C16 1.346(17) . ?
C15 H15 0.9500 . ?
C16 C17 1.27(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.411(16) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.396(13) . ?
C19 C20 1.401(12) . ?
C19 Sn1 2.133(7) . ?
C20 C21 1.358(13) . ?
C20 H20 0.9500 . ?
C21 C22 1.39(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.34(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.385(16) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.371(13) . ?
C25 C30 1.401(10) . ?
C25 P1 1.821(7) . ?
C26 C27 1.391(16) . ?
C26 H26 0.9500 . ?
C27 C28 1.394(19) . ?
C27 H27 0.9500 . ?
C28 C29 1.391(16) . ?
C28 H28 0.9500 . ?
C29 C30 1.375(12) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.382(10) . ?
C31 C32 1.390(11) . ?
C31 P1 1.822(7) . ?
C32 C33 1.377(13) . ?
C32 H32 0.9500 . ?
C33 C34 1.362(15) . ?
C33 H33 0.9500 . ?
C34 C35 1.378(13) . ?
C34 H34 0.9500 . ?
C35 C36 1.384(10) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C42 1.358(11) . ?
C37 C38 1.383(10) . ?
C37 P2 1.808(7) . ?
C38 C39 1.375(12) . ?
C38 H38 0.9500 . ?
C39 C40 1.358(15) . ?
C39 H39 0.9500 . ?
C40 C41 1.362(17) . ?
C40 H40 0.9500 . ?
C41 C42 1.399(14) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.369(12) . ?
C43 C48 1.395(11) . ?
C43 P2 1.816(7) . ?
C44 C45 1.422(14) . ?
C44 H44 0.9500 . ?
C45 C46 1.36(2) . ?
C45 H45 0.9500 . ?
C46 C47 1.37(2) . ?
C46 H46 0.9500 . ?
C47 C48 1.382(13) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C50 1.396(10) . ?
C49 C54 1.407(9) . ?
C49 P3 1.810(7) . ?
C50 C51 1.380(12) . ?
C50 H50 0.9500 . ?
C51 C52 1.374(13) . ?
C51 H51 0.9500 . ?
C52 C53 1.378(13) . ?
C52 H52 0.9500 . ?
C53 C54 1.391(10) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C56 1.388(10) . ?
C55 C60 1.393(11) . ?
C55 P3 1.828(7) . ?
C56 C57 1.406(13) . ?
C56 H56 0.9500 . ?
C57 C58 1.369(16) . ?
C57 H57 0.9500 . ?
C58 C59 1.372(15) . ?
C58 H58 0.9500 . ?
C59 C60 1.364(12) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C61 C66 1.398(10) . ?
C61 C62 1.401(10) . ?
C61 P4 1.823(7) . ?
C62 C63 1.379(11) . ?
C62 H62 0.9500 . ?
C63 C64 1.387(13) . ?
C63 H63 0.9500 . ?
C64 C65 1.384(14) . ?
C64 H64 0.9500 . ?
C65 C66 1.363(12) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C67 C72 1.386(12) . ?
C67 C68 1.387(10) . ?
C67 P4 1.818(7) . ?
C68 C69 1.386(10) . ?
C68 H68 0.9500 . ?
C69 C70 1.363(14) . ?
C69 H69 0.9500 . ?
C70 C71 1.381(14) . ?
C70 H70 0.9500 . ?
C71 C72 1.386(11) . ?
C71 H71 0.9500 . ?
C72 H72 0.9500 . ?
Ag1 P3 2.3966(14) . ?
Ag1 P1 2.3972(15) . ?
Ag2 P4 2.3792(15) . ?
Ag2 P2 2.3822(15) . ?
Sb1 F6B 1.590(16) . ?
Sb1 F4B 1.609(18) . ?
Sb1 F3A 1.744(10) . ?
Sb1 F6A 1.837(12) . ?
Sb1 F5A 1.841(11) . ?
Sb1 F1 1.868(6) . ?
Sb1 F2 1.871(5) . ?
Sb1 F4A 2.026(8) . ?
Sb1 F3B 2.079(18) . ?
Sb1 F5B 2.103(15) . ?
Sb2 F10 1.642(17) . ?
Sb2 F8 1.752(10) . ?
Sb2 F9 1.784(9) . ?
Sb2 F7 1.827(12) . ?
Sb2 F12 1.868(10) . ?
Sb2 F11 1.956(13) . ?
Sb3 F17 1.688(11) . ?
Sb3 F14 1.831(12) . ?
Sb3 F15 1.857(12) . ?
Sb3 F16 1.905(14) . ?
Sb3 F18 1.906(12) . ?
Sb3 F13 1.909(10) . ?
C73 N1 1.49(4) . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
N1 O1 1.22(2) . ?
N1 O2 1.25(2) . ?
C74 N2 1.439(18) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
N2 O3 1.112(14) . ?
N2 O4 1.160(12) . ?
C75A Cl2A 1.41(3) . ?
C75A Cl3A 1.63(3) . ?
C75A Cl1A 1.732(18) . ?
C75A H75A 1.0000 . ?
Cl1A Cl2A 2.01(4) . ?
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
C6 C1 C2 C3 -2.5(8) . . . . ?
Sn1 C1 C2 C3 177.4(4) . . . . ?
C1 C2 C3 C4 1.6(8) . . . . ?
C1 C2 C3 P1 -174.2(4) . . . . ?
C2 C3 C4 C5 1.1(8) . . . . ?
P1 C3 C4 C5 177.1(4) . . . . ?
C3 C4 C5 C6 -2.9(8) . . . . ?
C3 C4 C5 P2 177.9(4) . . . . ?
C4 C5 C6 C1 1.9(8) . . . . ?
P2 C5 C6 C1 -178.9(4) . . . . ?
C2 C1 C6 C5 0.8(8) . . . . ?
Sn1 C1 C6 C5 -179.2(4) . . . . ?
C7 C8 C9 C10 2.9(9) 3_567 . . . ?
C7 C8 C9 P3 -171.4(5) 3_567 . . . ?
C8 C9 C10 C11 -2.7(9) . . . . ?
P3 C9 C10 C11 172.0(5) . . . . ?
C9 C10 C11 C12 1.0(9) . . . . ?
C9 C10 C11 P4 179.4(5) . . . . ?
C10 C11 C12 C7 0.6(9) . . . 3_567 ?
P4 C11 C12 C7 -177.8(5) . . . 3_567 ?
C18 C13 C14 C15 -4.1(15) . . . . ?
Sn1 C13 C14 C15 -177.6(7) . . . . ?
C13 C14 C15 C16 1.6(16) . . . . ?
C14 C15 C16 C17 2(2) . . . . ?
C15 C16 C17 C18 -3(3) . . . . ?
C14 C13 C18 C17 3(2) . . . . ?
Sn1 C13 C18 C17 176.9(16) . . . . ?
C16 C17 C18 C13 1(3) . . . . ?
C24 C19 C20 C21 0.1(11) . . . . ?
Sn1 C19 C20 C21 -178.1(6) . . . . ?
C19 C20 C21 C22 -0.7(13) . . . . ?
C20 C21 C22 C23 1.8(16) . . . . ?
C21 C22 C23 C24 -2.2(18) . . . . ?
C22 C23 C24 C19 1.5(16) . . . . ?
C20 C19 C24 C23 -0.4(12) . . . . ?
Sn1 C19 C24 C23 177.6(7) . . . . ?
C30 C25 C26 C27 -2(2) . . . . ?
P1 C25 C26 C27 -173.5(15) . . . . ?
C25 C26 C27 C28 -9(3) . . . . ?
C26 C27 C28 C29 15(3) . . . . ?
C27 C28 C29 C30 -11(2) . . . . ?
C28 C29 C30 C25 0.6(17) . . . . ?
C26 C25 C30 C29 5.7(16) . . . . ?
P1 C25 C30 C29 177.4(8) . . . . ?
C36 C31 C32 C33 1.1(14) . . . . ?
P1 C31 C32 C33 -178.0(9) . . . . ?
C31 C32 C33 C34 -4.3(17) . . . . ?
C32 C33 C34 C35 4.5(17) . . . . ?
C33 C34 C35 C36 -1.6(15) . . . . ?
C32 C31 C36 C35 1.8(11) . . . . ?
P1 C31 C36 C35 -179.2(6) . . . . ?
C34 C35 C36 C31 -1.6(12) . . . . ?
C42 C37 C38 C39 3.4(13) . . . . ?
P2 C37 C38 C39 -179.4(6) . . . . ?
C37 C38 C39 C40 1.0(14) . . . . ?
C38 C39 C40 C41 -5.8(19) . . . . ?
C39 C40 C41 C42 6(3) . . . . ?
C38 C37 C42 C41 -3(2) . . . . ?
P2 C37 C42 C41 179.6(13) . . . . ?
C40 C41 C42 C37 -1(3) . . . . ?
C48 C43 C44 C45 -1.1(14) . . . . ?
P2 C43 C44 C45 177.6(8) . . . . ?
C43 C44 C45 C46 1.9(17) . . . . ?
C44 C45 C46 C47 -1(2) . . . . ?
C45 C46 C47 C48 0.1(19) . . . . ?
C46 C47 C48 C43 0.8(15) . . . . ?
C44 C43 C48 C47 -0.3(13) . . . . ?
P2 C43 C48 C47 -178.9(7) . . . . ?
C54 C49 C50 C51 -0.1(12) . . . . ?
P3 C49 C50 C51 -173.6(7) . . . . ?
C49 C50 C51 C52 -2.4(14) . . . . ?
C50 C51 C52 C53 1.5(16) . . . . ?
C51 C52 C53 C54 2.0(14) . . . . ?
C52 C53 C54 C49 -4.5(12) . . . . ?
C50 C49 C54 C53 3.5(11) . . . . ?
P3 C49 C54 C53 176.7(6) . . . . ?
C60 C55 C56 C57 -0.7(11) . . . . ?
P3 C55 C56 C57 174.7(7) . . . . ?
C55 C56 C57 C58 1.1(14) . . . . ?
C56 C57 C58 C59 -0.6(15) . . . . ?
C57 C58 C59 C60 -0.2(15) . . . . ?
C58 C59 C60 C55 0.6(13) . . . . ?
C56 C55 C60 C59 -0.1(12) . . . . ?
P3 C55 C60 C59 -175.3(6) . . . . ?
C66 C61 C62 C63 -0.6(11) . . . . ?
P4 C61 C62 C63 178.4(6) . . . . ?
C61 C62 C63 C64 0.7(13) . . . . ?
C62 C63 C64 C65 -0.9(15) . . . . ?
C63 C64 C65 C66 1.0(16) . . . . ?
C64 C65 C66 C61 -0.9(15) . . . . ?
C62 C61 C66 C65 0.7(12) . . . . ?
P4 C61 C66 C65 -178.4(7) . . . . ?
C72 C67 C68 C69 -1.0(11) . . . . ?
P4 C67 C68 C69 177.1(6) . . . . ?
C67 C68 C69 C70 0.2(12) . . . . ?
C68 C69 C70 C71 1.3(15) . . . . ?
C69 C70 C71 C72 -2.1(19) . . . . ?
C68 C67 C72 C71 0.3(14) . . . . ?
P4 C67 C72 C71 -177.8(9) . . . . ?
C70 C71 C72 C67 1.3(18) . . . . ?
C26 C25 P1 C31 -146.0(9) . . . . ?
C30 C25 P1 C31 42.3(8) . . . . ?
C26 C25 P1 C3 102.1(10) . . . . ?
C30 C25 P1 C3 -69.6(7) . . . . ?
C26 C25 P1 Ag1 -21.1(10) . . . . ?
C30 C25 P1 Ag1 167.2(6) . . . . ?
C36 C31 P1 C25 -95.4(6) . . . . ?
C32 C31 P1 C25 83.7(7) . . . . ?
C36 C31 P1 C3 15.5(7) . . . . ?
C32 C31 P1 C3 -165.4(6) . . . . ?
C36 C31 P1 Ag1 136.0(6) . . . . ?
C32 C31 P1 Ag1 -44.9(7) . . . . ?
C4 C3 P1 C25 167.1(5) . . . . ?
C2 C3 P1 C25 -17.0(5) . . . . ?
C4 C3 P1 C31 55.6(5) . . . . ?
C2 C3 P1 C31 -128.6(5) . . . . ?
C4 C3 P1 Ag1 -65.4(5) . . . . ?
C2 C3 P1 Ag1 110.4(4) . . . . ?
P3 Ag1 P1 C25 118.8(4) . . . . ?
P3 Ag1 P1 C31 -119.1(4) . . . . ?
P3 Ag1 P1 C3 -1.3(4) . . . . ?
C42 C37 P2 C43 133.3(9) . . . . ?
C38 C37 P2 C43 -43.8(7) . . . . ?
C42 C37 P2 C5 -117.1(9) . . . . ?
C38 C37 P2 C5 65.8(7) . . . . ?
C42 C37 P2 Ag2 6.5(9) . . . . ?
C38 C37 P2 Ag2 -170.6(6) . . . . ?
C44 C43 P2 C37 -100.9(7) . . . . ?
C48 C43 P2 C37 77.7(6) . . . . ?
C44 C43 P2 C5 147.5(6) . . . . ?
C48 C43 P2 C5 -33.9(7) . . . . ?
C44 C43 P2 Ag2 27.7(7) . . . . ?
C48 C43 P2 Ag2 -153.6(5) . . . . ?
C6 C5 P2 C37 13.2(6) . . . . ?
C4 C5 P2 C37 -167.6(4) . . . . ?
C6 C5 P2 C43 125.1(5) . . . . ?
C4 C5 P2 C43 -55.7(5) . . . . ?
C6 C5 P2 Ag2 -113.7(5) . . . . ?
C4 C5 P2 Ag2 65.5(5) . . . . ?
P4 Ag2 P2 C37 -168.3(3) . . . . ?
P4 Ag2 P2 C43 68.1(3) . . . . ?
P4 Ag2 P2 C5 -47.2(3) . . . . ?
C50 C49 P3 C9 -133.6(6) . . . . ?
C54 C49 P3 C9 53.2(6) . . . . ?
C50 C49 P3 C55 119.3(6) . . . . ?
C54 C49 P3 C55 -54.0(6) . . . . ?
C50 C49 P3 Ag1 -8.8(6) . . . . ?
C54 C49 P3 Ag1 178.0(5) . . . . ?
C8 C9 P3 C49 -3.3(6) . . . . ?
C10 C9 P3 C49 -177.8(5) . . . . ?
C8 C9 P3 C55 104.1(6) . . . . ?
C10 C9 P3 C55 -70.4(5) . . . . ?
C8 C9 P3 Ag1 -129.6(5) . . . . ?
C10 C9 P3 Ag1 55.9(5) . . . . ?
C56 C55 P3 C49 -84.1(6) . . . . ?
C60 C55 P3 C49 91.2(6) . . . . ?
C56 C55 P3 C9 163.1(6) . . . . ?
C60 C55 P3 C9 -21.6(6) . . . . ?
C56 C55 P3 Ag1 41.3(6) . . . . ?
C60 C55 P3 Ag1 -143.4(5) . . . . ?
P1 Ag1 P3 C49 -113.9(4) . . . . ?
P1 Ag1 P3 C9 9.8(4) . . . . ?
P1 Ag1 P3 C55 126.7(4) . . . . ?
C72 C67 P4 C61 -132.7(7) . . . . ?
C68 C67 P4 C61 49.3(6) . . . . ?
C72 C67 P4 C11 116.9(7) . . . . ?
C68 C67 P4 C11 -61.2(6) . . . . ?
C72 C67 P4 Ag2 -6.2(7) . . . . ?
C68 C67 P4 Ag2 175.7(5) . . . . ?
C66 C61 P4 C67 94.4(6) . . . . ?
C62 C61 P4 C67 -84.5(7) . . . . ?
C66 C61 P4 C11 -155.2(6) . . . . ?
C62 C61 P4 C11 25.8(7) . . . . ?
C66 C61 P4 Ag2 -34.2(7) . . . . ?
C62 C61 P4 Ag2 146.8(5) . . . . ?
C12 C11 P4 C67 -13.6(6) . . . . ?
C10 C11 P4 C67 168.0(5) . . . . ?
C12 C11 P4 C61 -125.2(5) . . . . ?
C10 C11 P4 C61 56.4(5) . . . . ?
C12 C11 P4 Ag2 112.8(5) . . . . ?
C10 C11 P4 Ag2 -65.6(5) . . . . ?
P2 Ag2 P4 C67 175.9(3) . . . . ?
P2 Ag2 P4 C61 -60.9(4) . . . . ?
P2 Ag2 P4 C11 56.3(3) . . . . ?
C24 C19 Sn1 C1 -11.9(7) . . . . ?
C20 C19 Sn1 C1 166.2(5) . . . . ?
C24 C19 Sn1 C13 114.7(7) . . . . ?
C20 C19 Sn1 C13 -67.3(6) . . . . ?
C24 C19 Sn1 C7 -129.4(7) . . . . ?
C20 C19 Sn1 C7 48.6(6) . . . . ?
C2 C1 Sn1 C19 152.1(4) . . . . ?
C6 C1 Sn1 C19 -28.0(5) . . . . ?
C2 C1 Sn1 C13 26.9(5) . . . . ?
C6 C1 Sn1 C13 -153.2(4) . . . . ?
C2 C1 Sn1 C7 -96.3(4) . . . . ?
C6 C1 Sn1 C7 83.7(5) . . . . ?
C18 C13 Sn1 C19 -2.5(11) . . . . ?
C14 C13 Sn1 C19 170.8(7) . . . . ?
C18 C13 Sn1 C1 124.7(11) . . . . ?
C14 C13 Sn1 C1 -62.0(7) . . . . ?
C18 C13 Sn1 C7 -112.0(11) . . . . ?
C14 C13 Sn1 C7 61.2(7) . . . . ?
C8 C7 Sn1 C19 37.6(5) 3_567 . . . ?
C12 C7 Sn1 C19 -136.9(5) 3_567 . . . ?
C8 C7 Sn1 C1 -82.2(5) 3_567 . . . ?
C12 C7 Sn1 C1 103.2(5) 3_567 . . . ?
C8 C7 Sn1 C13 153.3(5) 3_567 . . . ?
C12 C7 Sn1 C13 -21.2(6) 3_567 . . . ?
Cl3A C75A Cl1A Cl2A -141(2) . . . . ?
Cl3A C75A Cl2A Cl1A 127(3) . . . . ?
