#------------------------------------------------------------------------------
#$Date: 2019-11-23 12:42:00 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233321 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/87/4348766.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_4348766
loop_
_publ_author_name
'Shichibu, Yukatsu'
'Yoshida, Keisuke'
'Konishi, Katsuaki'
_publ_section_title
;
 Hexanuclear Platinum(II) Thiolate Macrocyclic Host:
 Charge-Transfer-Driven Inclusion of a Ag(I) Ion Guest.
;
_journal_issue                   18
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9147
_journal_page_last               9149
_journal_paper_doi               10.1021/acs.inorgchem.6b01579
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C144 H300 Pt6 S12'
_chemical_formula_weight         3587.08
_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
_cell_angle_alpha                103.3100(6)
_cell_angle_beta                 95.3031(6)
_cell_angle_gamma                105.3102(6)
_cell_formula_units_Z            1
_cell_length_a                   11.7859(5)
_cell_length_b                   17.5279(8)
_cell_length_c                   20.5802(9)
_cell_measurement_reflns_used    147
_cell_measurement_temperature    90.0(2)
_cell_measurement_theta_max      25.4963
_cell_measurement_theta_min      3.5632
_cell_volume                     3936.9(3)
_computing_cell_refinement       'APEX2 v2014.5-0 (Bruker AXS)'
_computing_data_collection       'Bruker SMART APEXII'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'XSHELL V6.3.1 (BruekrAXS)'
_computing_publication_material  'Generate Report (Bruker AXS)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      90.0(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0172
_diffrn_reflns_av_unetI/netI     0.0410
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19713
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.03
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    5.513
_exptl_absorpt_correction_T_max  0.49
_exptl_absorpt_correction_T_min  0.44
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/2 (Bruker AXS Inc.)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.545
_refine_diff_density_min         -2.260
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     736
_refine_ls_number_reflns         14189
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0298
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0551P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0731
_refine_ls_wR_factor_ref         0.0936
_reflns_number_gt                12166
_reflns_number_total             14189
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b01579_si_002.cif
_cod_data_source_block           I
_cod_database_code               4348766
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_posn
_atom_site_occupancy
Pt Pt1 0.28679(2) 0.02197(2) 0.40873(2) 0.01413(7) Uani d . . 1
Pt Pt2 0.51437(2) 0.01713(2) 0.34658(2) 0.01435(7) Uani d . . 1
Pt Pt3 0.72983(2) -0.00538(2) 0.43912(2) 0.01476(7) Uani d . . 1
S S1 0.31632(13) -0.05955(8) 0.30975(7) 0.0162(3) Uani d . . 1
S S2 0.42364(13) 0.12004(8) 0.37442(7) 0.0152(3) Uani d . . 1
S S3 0.70904(13) 0.09799(8) 0.38987(7) 0.0171(3) Uani d . . 1
S S4 0.60167(13) -0.08787(8) 0.34083(7) 0.0170(3) Uani d . . 1
S S5 0.73995(13) -0.10683(8) 0.49278(7) 0.0163(3) Uani d . . 1
S S6 0.81994(13) 0.07849(8) 0.54598(7) 0.0156(3) Uani d . . 1
C C1A 0.2893(6) -0.1664(3) 0.3117(3) 0.0208(13) Uani d . . 1
H H1A1 0.3656 -0.176 0.3264 0.025 Uiso calc U R 1
H H1A2 0.2354 -0.1785 0.3445 0.025 Uiso calc U R 1
C C2A 0.2339(6) -0.2219(3) 0.2425(3) 0.0249(14) Uani d . . 1
H H2A1 0.2903 -0.2108 0.2106 0.03 Uiso calc U R 1
H H2A2 0.161 -0.2088 0.2271 0.03 Uiso calc U R 1
C C3A 0.2012(5) -0.3132(3) 0.2396(3) 0.0203(13) Uani d . . 1
H H3A1 0.2749 -0.3279 0.2504 0.024 Uiso calc U R 1
H H3A2 0.1509 -0.3237 0.2745 0.024 Uiso calc U R 1
C C4A 0.1347(6) -0.3674(3) 0.1709(3) 0.0236(14) Uani d . . 1
H H4A1 0.1853 -0.3567 0.1362 0.028 Uiso calc U R 1
H H4A2 0.0615 -0.3522 0.1601 0.028 Uiso calc U R 1
C C5A 0.1002(6) -0.4589(3) 0.1663(3) 0.0220(14) Uani d . . 1
H H5A1 0.1736 -0.4746 0.1755 0.026 Uiso calc U R 1
H H5A2 0.0516 -0.4695 0.2018 0.026 Uiso calc U R 1
C C6A 0.0303(6) -0.5125(3) 0.0978(3) 0.0222(14) Uani d . . 1
H H6A1 -0.0426 -0.4963 0.0885 0.027 Uiso calc U R 1
H H6A2 0.0793 -0.502 0.0624 0.027 Uiso calc U R 1
C C7A -0.0054(6) -0.6035(3) 0.0925(3) 0.0221(14) Uani d . . 1
H H7A1 -0.0527 -0.6138 0.1286 0.027 Uiso calc U R 1
H H7A2 0.0676 -0.62 0.1007 0.027 Uiso calc U R 1
C C8A -0.0777(6) -0.6569(4) 0.0248(3) 0.0250(14) Uani d . . 1
H H8A1 -0.0304 -0.647 -0.0114 0.03 Uiso calc U R 1
H H8A2 -0.1507 -0.6404 0.0164 0.03 Uiso calc U R 1
C C9A -0.1137(6) -0.7483(4) 0.0204(3) 0.0241(14) Uani d . . 1
H H9A1 -0.1581 -0.7577 0.0577 0.029 Uiso calc U R 1
H H9A2 -0.0406 -0.7651 0.0271 0.029 Uiso calc U R 1
C C10A -0.1904(6) -0.8026(4) -0.0464(3) 0.0248(14) Uani d . . 1
H H10A -0.2624 -0.7848 -0.0537 0.03 Uiso calc U R 1
H H10B -0.1451 -0.7944 -0.0836 0.03 Uiso calc U R 1
C C11A -0.2288(6) -0.8931(4) -0.0498(3) 0.0304(16) Uani d . . 1
H H11A -0.2722 -0.9013 -0.0119 0.036 Uiso calc U R 1
H H11B -0.157 -0.9116 -0.0441 0.036 Uiso calc U R 1
C C12A -0.3086(7) -0.9461(4) -0.1163(3) 0.0389(18) Uani d . . 1
H H12A -0.3826 -0.9308 -0.1209 0.058 Uiso calc U R 1
H H12B -0.3274 -1.004 -0.1164 0.058 Uiso calc U R 1
H H12C -0.267 -0.9373 -0.1543 0.058 Uiso calc U R 1
C C1B 0.3565(5) 0.1363(4) 0.2967(3) 0.0180(12) Uani d . . 1
H H1B1 0.3071 0.0829 0.2664 0.022 Uiso calc U R 1
H H1B2 0.3039 0.1714 0.308 0.022 Uiso calc U R 1
C C2B 0.4513(6) 0.1767(4) 0.2603(3) 0.0247(14) Uani d . . 1
H H2B1 0.412 0.1957 0.2251 0.03 Uiso calc U R 1
H H2B2 0.486 0.1345 0.2367 0.03 Uiso calc U R 1
C C3B 0.5541(6) 0.2498(4) 0.3041(3) 0.0272(15) Uani d . . 1
H H3B1 0.6052 0.228 0.3313 0.033 Uiso calc U R 1
H H3B2 0.6029 0.2745 0.2734 0.033 Uiso calc U R 1
C C4B 0.5222(6) 0.3182(4) 0.3523(3) 0.0264(15) Uani d . . 1
H H4B1 0.484 0.2968 0.3879 0.032 Uiso calc U R 1
H H4B2 0.4643 0.3372 0.327 0.032 Uiso calc U R 1
C C5B 0.6335(6) 0.3908(4) 0.3852(3) 0.0288(15) Uani d . . 1
H H5B1 0.6936 0.3694 0.4059 0.035 Uiso calc U R 1
H H5B2 0.667 0.4136 0.349 0.035 Uiso calc U R 1
C C6B 0.6165(6) 0.4603(4) 0.4389(3) 0.0301(16) Uani d . . 1
H H6B1 0.5898 0.4394 0.4774 0.036 Uiso calc U R 1
H H6B2 0.553 0.4801 0.4198 0.036 Uiso calc U R 1
C C7B 0.7298(6) 0.5320(4) 0.4648(3) 0.0258(14) Uani d . . 1
H H7B1 0.7932 0.511 0.4823 0.031 Uiso calc U R 1
H H7B2 0.7551 0.5525 0.4259 0.031 Uiso calc U R 1
C C8B 0.7217(6) 0.6039(4) 0.5197(3) 0.0302(15) Uani d . . 1
H H8B1 0.7012 0.5849 0.56 0.036 Uiso calc U R 1
H H8B2 0.6568 0.6244 0.5034 0.036 Uiso calc U R 1
C C9B 0.8375(6) 0.6740(4) 0.5399(3) 0.0267(15) Uani d . . 1
H H9B1 0.9018 0.6528 0.5559 0.032 Uiso calc U R 1
H H9B2 0.8578 0.6918 0.4991 0.032 Uiso calc U R 1
C C10B 0.8362(6) 0.7487(4) 0.5945(3) 0.0250(14) Uani d . . 1
H H10C 0.7704 0.7693 0.5795 0.03 Uiso calc U R 1
H H10D 0.8194 0.7318 0.6362 0.03 Uiso calc U R 1
C C11B 0.9521(6) 0.8182(4) 0.6112(3) 0.0300(15) Uani d . . 1
H H11C 1.0177 0.7969 0.6251 0.036 Uiso calc U R 1
H H11D 0.9678 0.8352 0.5694 0.036 Uiso calc U R 1
C C12B 0.9558(6) 0.8932(4) 0.6660(4) 0.0359(17) Uani d . . 1
H H12D 0.8954 0.9177 0.6516 0.054 Uiso calc U R 1
H H12E 1.0349 0.9332 0.6745 0.054 Uiso calc U R 1
H H12F 0.9394 0.8774 0.7077 0.054 Uiso calc U R 1
C C1C 0.6993(5) 0.1831(3) 0.4578(3) 0.0211(13) Uani d . . 1
H H1C1 0.6374 0.2061 0.4414 0.025 Uiso calc U R 1
H H1C2 0.6739 0.1619 0.4964 0.025 Uiso calc U R 1
C C2C 0.8159(5) 0.2513(3) 0.4824(3) 0.0173(12) Uani d . . 1
H H2C1 0.8785 0.2289 0.4989 0.021 Uiso calc U R 1
H H2C2 0.8411 0.2738 0.4444 0.021 Uiso calc U R 1
C C3C 0.8029(5) 0.3192(3) 0.5389(3) 0.0215(13) Uani d . . 1
H H3C1 0.7858 0.2974 0.5784 0.026 Uiso calc U R 1
H H3C2 0.7337 0.3365 0.5238 0.026 Uiso calc U R 1
C C4C 0.9124(5) 0.3942(3) 0.5611(3) 0.0213(13) Uani d . . 1
H H4C1 0.9811 0.3774 0.5777 0.026 Uiso calc U R 1
H H4C2 0.9313 0.415 0.5213 0.026 Uiso calc U R 1
C C5C 0.8975(5) 0.4635(3) 0.6163(3) 0.0227(14) Uani d . . 1
H H5C1 0.8793 0.443 0.6563 0.027 Uiso calc U R 1
H H5C2 0.8288 0.4803 0.5999 0.027 Uiso calc U R 1
C C6C 1.0076(6) 0.5379(3) 0.6375(3) 0.0228(14) Uani d . . 1
H H6C1 1.0758 0.5208 0.6543 0.027 Uiso calc U R 1
H H6C2 1.0264 0.5573 0.5971 0.027 Uiso calc U R 1
C C7C 0.9957(6) 0.6087(4) 0.6914(3) 0.0240(14) Uani d . . 1
H H7C1 0.9772 0.5899 0.7321 0.029 Uiso calc U R 1
H H7C2 0.928 0.6265 0.6748 0.029 Uiso calc U R 1
C C8C 1.1075(6) 0.6815(3) 0.7112(3) 0.0237(14) Uani d . . 1
H H8C1 1.1744 0.6633 0.7283 0.028 Uiso calc U R 1
H H8C2 1.1267 0.6988 0.67 0.028 Uiso calc U R 1
C C9C 1.1002(6) 0.7553(4) 0.7642(3) 0.0283(15) Uani d . . 1
H H9C1 1.0786 0.7383 0.8052 0.034 Uiso calc U R 1
H H9C2 1.0364 0.7759 0.7466 0.034 Uiso calc U R 1
C C10C 1.2177(6) 0.8244(4) 0.7833(3) 0.0287(15) Uani d . . 1
H H10E 1.2799 0.804 0.803 0.034 Uiso calc U R 1
H H10F 1.2414 0.8381 0.7415 0.034 Uiso calc U R 1
C C11C 1.2154(7) 0.9019(4) 0.8327(4) 0.0393(18) Uani d . . 1
H H11E 1.1846 0.8882 0.8731 0.047 Uiso calc U R 1
H H11F 1.1599 0.9263 0.8115 0.047 Uiso calc U R 1
C C12C 1.3368(8) 0.9644(4) 0.8549(4) 0.054(2) Uani d . . 1
H H12G 1.387 0.9455 0.8844 0.081 Uiso calc U R 1
H H12H 1.3284 1.017 0.8795 0.081 Uiso calc U R 1
H H12I 1.3737 0.9711 0.815 0.081 Uiso calc U R 1
C C1D 0.6837(5) -0.0906(4) 0.2694(3) 0.0200(13) Uani d . . 1
H H1D1 0.7159 -0.0343 0.2649 0.024 Uiso calc U R 1
H H1D2 0.7517 -0.1121 0.2782 0.024 Uiso calc U R 1
C C2D 0.6026(5) -0.1451(4) 0.2033(3) 0.0205(13) Uani d . . 1
H H2D1 0.5322 -0.1254 0.1969 0.025 Uiso calc U R 1
H H2D2 0.6464 -0.1386 0.1652 0.025 Uiso calc U R 1
C C3D 0.5598(6) -0.2356(4) 0.2000(3) 0.0227(14) Uani d . . 1
H H3D1 0.5088 -0.2431 0.235 0.027 Uiso calc U R 1
H H3D2 0.6296 -0.2545 0.2106 0.027 Uiso calc U R 1
C C4D 0.4900(6) -0.2882(3) 0.1316(3) 0.0213(13) Uani d . . 1
H H4D1 0.5398 -0.2785 0.0964 0.026 Uiso calc U R 1
H H4D2 0.4184 -0.2707 0.122 0.026 Uiso calc U R 1
C C5D 0.4509(6) -0.3797(4) 0.1263(3) 0.0223(14) Uani d . . 1
H H5D1 0.3994 -0.3896 0.1608 0.027 Uiso calc U R 1
H H5D2 0.5223 -0.397 0.1369 0.027 Uiso calc U R 1
C C6D 0.3832(6) -0.4323(4) 0.0569(3) 0.0237(14) Uani d . . 1
H H6D1 0.4344 -0.4221 0.0225 0.028 Uiso calc U R 1
H H6D2 0.3115 -0.4153 0.0465 0.028 Uiso calc U R 1
C C7D 0.3447(6) -0.5244(4) 0.0514(3) 0.0236(14) Uani d . . 1
H H7D1 0.4164 -0.5413 0.0621 0.028 Uiso calc U R 1
H H7D2 0.2932 -0.5346 0.0858 0.028 Uiso calc U R 1
C C8D 0.2776(6) -0.5772(4) -0.0179(3) 0.0244(14) Uani d . . 1
H H8D1 0.3293 -0.567 -0.0521 0.029 Uiso calc U R 1
H H8D2 0.2062 -0.5598 -0.0286 0.029 Uiso calc U R 1
C C9D 0.2381(6) -0.6692(4) -0.0237(3) 0.0244(14) Uani d . . 1
H H9D1 0.3095 -0.6865 -0.0131 0.029 Uiso calc U R 1
H H9D2 0.1867 -0.6793 0.0107 0.029 Uiso calc U R 1
C C10D 0.1711(6) -0.7217(4) -0.0923(3) 0.0248(14) Uani d . . 1
H H10G 0.2215 -0.7099 -0.1268 0.03 Uiso calc U R 1
H H10H 0.0983 -0.7055 -0.1021 0.03 Uiso calc U R 1
C C11D 0.1347(7) -0.8136(4) -0.0999(3) 0.0306(16) Uani d . . 1
H H11G 0.207 -0.8303 -0.0899 0.037 Uiso calc U R 1
H H11H 0.0829 -0.826 -0.0661 0.037 Uiso calc U R 1
C C12D 0.0688(7) -0.8640(4) -0.1700(3) 0.0349(17) Uani d . . 1
H H12J -0.0079 -0.853 -0.178 0.052 Uiso calc U R 1
H H12K 0.0551 -0.9225 -0.1731 0.052 Uiso calc U R 1
H H12L 0.1169 -0.849 -0.2041 0.052 Uiso calc U R 1
C C1E 0.6038(5) -0.1927(3) 0.4616(3) 0.0198(13) Uani d . . 1
H H1E1 0.5798 -0.2161 0.4994 0.024 Uiso calc U R 1
H H1E2 0.539 -0.1723 0.4451 0.024 Uiso calc U R 1
C C2E 0.6198(5) -0.2594(3) 0.4049(3) 0.0202(13) Uani d . . 1
H H2E1 0.685 -0.2798 0.4211 0.024 Uiso calc U R 1
H H2E2 0.6428 -0.2364 0.3667 0.024 Uiso calc U R 1
C C3E 0.5062(5) -0.3302(4) 0.3804(3) 0.0225(14) Uani d . . 1
H H3E1 0.4419 -0.3094 0.3639 0.027 Uiso calc U R 1
H H3E2 0.4827 -0.3517 0.4192 0.027 Uiso calc U R 1
C C4E 0.5165(6) -0.4006(3) 0.3240(3) 0.0209(13) Uani d . . 1
H H4E1 0.5364 -0.3799 0.2844 0.025 Uiso calc U R 1
H H4E2 0.5829 -0.4202 0.3398 0.025 Uiso calc U R 1
C C5E 0.4033(5) -0.4726(4) 0.3021(3) 0.0231(14) Uani d . . 1
H H5E1 0.3838 -0.4935 0.3418 0.028 Uiso calc U R 1
H H5E2 0.3368 -0.4528 0.2869 0.028 Uiso calc U R 1
C C6E 0.4123(6) -0.5426(3) 0.2458(3) 0.0247(14) Uani d . . 1
H H6E1 0.4807 -0.5609 0.2604 0.03 Uiso calc U R 1
H H6E2 0.4288 -0.5221 0.2056 0.03 Uiso calc U R 1
C C7E 0.3005(6) -0.6161(3) 0.2254(3) 0.0234(14) Uani d . . 1
H H7E1 0.2848 -0.6376 0.2652 0.028 Uiso calc U R 1
H H7E2 0.2316 -0.5978 0.2116 0.028 Uiso calc U R 1
C C8E 0.3106(6) -0.6849(4) 0.1678(3) 0.0262(15) Uani d . . 1
H H8E1 0.3224 -0.6639 0.1275 0.031 Uiso calc U R 1
H H8E2 0.3821 -0.7009 0.1809 0.031 Uiso calc U R 1
C C9E 0.2032(6) -0.7602(4) 0.1490(3) 0.0305(16) Uani d . . 1
H H9E1 0.1317 -0.7448 0.1348 0.037 Uiso calc U R 1
H H9E2 0.1903 -0.781 0.1894 0.037 Uiso calc U R 1
C C10E 0.2177(6) -0.8287(4) 0.0917(3) 0.0292(16) Uani d . . 1
H H10I 0.2404 -0.8055 0.0537 0.035 Uiso calc U R 1
H H10J 0.2842 -0.8477 0.1082 0.035 Uiso calc U R 1
C C11E 0.1072(7) -0.9030(4) 0.0649(4) 0.0371(18) Uani d . . 1
H H11I 0.0413 -0.8849 0.0466 0.045 Uiso calc U R 1
H H11J 0.1247 -0.9425 0.0273 0.045 Uiso calc U R 1
C C12E 0.0669(7) -0.9460(4) 0.1179(4) 0.0433(19) Uani d . . 1
H H12M 0.1327 -0.9623 0.1377 0.065 Uiso calc U R 1
H H12N -0.0007 -0.9949 0.097 0.065 Uiso calc U R 1
H H12O 0.0425 -0.9088 0.1534 0.065 Uiso calc U R 1
C C1F 0.9751(5) 0.0796(3) 0.5625(3) 0.0173(12) Uani d . . 1
H H1F1 0.9786 0.0231 0.5597 0.021 Uiso calc U R 1
H H1F2 1.018 0.0991 0.5275 0.021 Uiso calc U R 1
C C2F 1.0358(5) 0.1351(3) 0.6321(3) 0.0201(13) Uani d . . 1
H H2F1 1.1155 0.1279 0.6421 0.024 Uiso calc U R 1
H H2F2 0.9886 0.1177 0.6663 0.024 Uiso calc U R 1
C C3F 1.0503(5) 0.2261(3) 0.6388(3) 0.0198(13) Uani d . . 1
H H3F1 1.0942 0.243 0.6033 0.024 Uiso calc U R 1
H H3F2 0.9704 0.2339 0.6312 0.024 Uiso calc U R 1
C C4F 1.1164(6) 0.2807(3) 0.7077(3) 0.0218(13) Uani d . . 1
H H4F1 1.0684 0.2667 0.7426 0.026 Uiso calc U R 1
H H4F2 1.1927 0.2685 0.717 0.026 Uiso calc U R 1
C C5F 1.1428(5) 0.3719(3) 0.7146(3) 0.0200(13) Uani d . . 1
H H5F1 1.189 0.3859 0.679 0.024 Uiso calc U R 1
H H5F2 1.0664 0.3846 0.7068 0.024 Uiso calc U R 1
C C6F 1.2114(6) 0.4254(3) 0.7827(3) 0.0221(14) Uani d . . 1
H H6F1 1.2866 0.4114 0.7912 0.026 Uiso calc U R 1
H H6F2 1.164 0.4125 0.8182 0.026 Uiso calc U R 1
C C7F 1.2414(5) 0.5167(4) 0.7894(3) 0.0219(14) Uani d . . 1
H H7F1 1.1663 0.5312 0.7829 0.026 Uiso calc U R 1
H H7F2 1.2862 0.5294 0.7529 0.026 Uiso calc U R 1
C C8F 1.3155(6) 0.5704(4) 0.8578(3) 0.0242(14) Uani d . . 1
H H8F1 1.2702 0.5588 0.8944 0.029 Uiso calc U R 1
H H8F2 1.3902 0.5555 0.8649 0.029 Uiso calc U R 1
C C9F 1.3461(6) 0.6611(4) 0.8627(3) 0.0238(14) Uani d . . 1
H H9F1 1.271 0.6757 0.8561 0.029 Uiso calc U R 1
H H9F2 1.3896 0.672 0.8253 0.029 Uiso calc U R 1
C C10F 1.4210(6) 0.7165(4) 0.9292(3) 0.0249(14) Uani d . . 1
H H10K 1.4966 0.7025 0.9358 0.03 Uiso calc U R 1
H H10L 1.3778 0.7058 0.9667 0.03 Uiso calc U R 1
C C11F 1.4496(6) 0.8072(4) 0.9325(3) 0.0294(16) Uani d . . 1
H H11K 1.4911 0.8175 0.8943 0.035 Uiso calc U R 1
H H11L 1.374 0.8212 0.9268 0.035 Uiso calc U R 1
C C12F 1.5263(7) 0.8628(4) 0.9977(3) 0.0390(19) Uani d . . 1
H H12P 1.4851 0.8541 1.0359 0.058 Uiso calc U R 1
H H12Q 1.5412 0.9201 0.9964 0.058 Uiso calc U R 1
H H12R 1.6023 0.8503 1.0033 0.058 Uiso calc U R 1
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
S6 Pt1 S2 2_656 . 169.59(5)
S6 Pt1 S1 2_656 . 99.88(5)
S2 Pt1 S1 . . 80.40(5)
S6 Pt1 S5 2_656 2_656 81.66(5)
S2 Pt1 S5 . 2_656 98.08(5)
S1 Pt1 S5 . 2_656 178.46(5)
S6 Pt1 Pt2 2_656 . 124.79(4)
S2 Pt1 Pt2 . . 48.27(4)
S1 Pt1 Pt2 . . 48.24(4)
S5 Pt1 Pt2 2_656 . 130.77(4)
S6 Pt1 Pt3 2_656 2_656 45.88(3)
S2 Pt1 Pt3 . 2_656 127.77(3)
S1 Pt1 Pt3 . 2_656 135.35(4)
S5 Pt1 Pt3 2_656 2_656 45.92(4)
Pt2 Pt1 Pt3 . 2_656 120.933(9)
S1 Pt2 S2 . . 80.26(5)
S1 Pt2 S4 . . 99.83(5)
S2 Pt2 S4 . . 168.40(5)
S1 Pt2 S3 . . 176.28(5)
S2 Pt2 S3 . . 97.14(5)
S4 Pt2 S3 . . 82.18(5)
S1 Pt2 Pt1 . . 48.18(3)
S2 Pt2 Pt1 . . 48.14(3)
S4 Pt2 Pt1 . . 123.93(4)
S3 Pt2 Pt1 . . 128.12(4)
S1 Pt2 Pt3 . . 133.21(4)
S2 Pt2 Pt3 . . 125.85(4)
S4 Pt2 Pt3 . . 46.56(3)
S3 Pt2 Pt3 . . 46.59(4)
Pt1 Pt2 Pt3 . . 117.082(9)
S6 Pt3 S5 . . 81.59(5)
S6 Pt3 S4 . . 167.61(5)
S5 Pt3 S4 . . 98.43(5)
S6 Pt3 S3 . . 97.07(5)
S5 Pt3 S3 . . 175.87(5)
S4 Pt3 S3 . . 82.03(5)
S6 Pt3 Pt2 . . 125.29(4)
S5 Pt3 Pt2 . . 131.47(4)
S4 Pt3 Pt2 . . 46.46(4)
S3 Pt3 Pt2 . . 46.51(4)
S6 Pt3 Pt1 . 2_656 45.74(3)
S5 Pt3 Pt1 . 2_656 45.97(3)
S4 Pt3 Pt1 . 2_656 126.85(4)
S3 Pt3 Pt1 . 2_656 130.74(4)
Pt2 Pt3 Pt1 . 2_656 121.984(9)
C1A S1 Pt1 . . 112.39(19)
C1A S1 Pt2 . . 112.7(2)
Pt1 S1 Pt2 . . 83.58(4)
C1B S2 Pt1 . . 109.95(19)
C1B S2 Pt2 . . 109.38(19)
Pt1 S2 Pt2 . . 83.59(5)
C1C S3 Pt2 . . 106.2(2)
C1C S3 Pt3 . . 107.1(2)
Pt2 S3 Pt3 . . 86.91(5)
C1D S4 Pt2 . . 107.4(2)
C1D S4 Pt3 . . 109.16(19)
Pt2 S4 Pt3 . . 86.98(5)
C1E S5 Pt3 . . 108.7(2)
C1E S5 Pt1 . 2_656 108.19(19)
Pt3 S5 Pt1 . 2_656 88.11(5)
C1F S6 Pt1 . 2_656 105.75(19)
C1F S6 Pt3 . . 110.36(19)
Pt1 S6 Pt3 2_656 . 88.37(5)
C2A C1A S1 . . 109.7(4)
C2A C1A H1A1 . . 109.7
S1 C1A H1A1 . . 109.7
C2A C1A H1A2 . . 109.7
S1 C1A H1A2 . . 109.7
H1A1 C1A H1A2 . . 108.2
C1A C2A C3A . . 113.8(5)
C1A C2A H2A1 . . 108.8
C3A C2A H2A1 . . 108.8
C1A C2A H2A2 . . 108.8
C3A C2A H2A2 . . 108.8
H2A1 C2A H2A2 . . 107.7
C4A C3A C2A . . 112.6(5)
C4A C3A H3A1 . . 109.1
C2A C3A H3A1 . . 109.1
C4A C3A H3A2 . . 109.1
C2A C3A H3A2 . . 109.1
H3A1 C3A H3A2 . . 107.8
C3A C4A C5A . . 114.0(5)
C3A C4A H4A1 . . 108.8
C5A C4A H4A1 . . 108.8
C3A C4A H4A2 . . 108.8
C5A C4A H4A2 . . 108.8
H4A1 C4A H4A2 . . 107.7
C6A C5A C4A . . 113.5(5)
C6A C5A H5A1 . . 108.9
C4A C5A H5A1 . . 108.9
C6A C5A H5A2 . . 108.9
C4A C5A H5A2 . . 108.9
H5A1 C5A H5A2 . . 107.7
C7A C6A C5A . . 114.2(5)
C7A C6A H6A1 . . 108.7
C5A C6A H6A1 . . 108.7
C7A C6A H6A2 . . 108.7
C5A C6A H6A2 . . 108.7
H6A1 C6A H6A2 . . 107.6
C6A C7A C8A . . 114.3(5)
C6A C7A H7A1 . . 108.7
C8A C7A H7A1 . . 108.7
C6A C7A H7A2 . . 108.7
C8A C7A H7A2 . . 108.7
H7A1 C7A H7A2 . . 107.6
C7A C8A C9A . . 113.7(5)
C7A C8A H8A1 . . 108.8
C9A C8A H8A1 . . 108.8
C7A C8A H8A2 . . 108.8
C9A C8A H8A2 . . 108.8
H8A1 C8A H8A2 . . 107.7
C8A C9A C10A . . 114.3(5)
C8A C9A H9A1 . . 108.7
C10A C9A H9A1 . . 108.7
C8A C9A H9A2 . . 108.7
C10A C9A H9A2 . . 108.7
H9A1 C9A H9A2 . . 107.6
C11A C10A C9A . . 114.2(5)
C11A C10A H10A . . 108.7
C9A C10A H10A . . 108.7
C11A C10A H10B . . 108.7
C9A C10A H10B . . 108.7
H10A C10A H10B . . 107.6
C10A C11A C12A . . 113.3(6)
C10A C11A H11A . . 108.9
C12A C11A H11A . . 108.9
C10A C11A H11B . . 108.9
C12A C11A H11B . . 108.9
H11A C11A H11B . . 107.7
C11A C12A H12A . . 109.5
C11A C12A H12B . . 109.5
H12A C12A H12B . . 109.5
C11A C12A H12C . . 109.5
H12A C12A H12C . . 109.5
H12B C12A H12C . . 109.5
C2B C1B S2 . . 111.1(4)
C2B C1B H1B1 . . 109.4
S2 C1B H1B1 . . 109.4
C2B C1B H1B2 . . 109.4
S2 C1B H1B2 . . 109.4
H1B1 C1B H1B2 . . 108.0
C1B C2B C3B . . 116.6(5)
C1B C2B H2B1 . . 108.1
C3B C2B H2B1 . . 108.1
C1B C2B H2B2 . . 108.1
C3B C2B H2B2 . . 108.1
H2B1 C2B H2B2 . . 107.3
C4B C3B C2B . . 117.9(5)
C4B C3B H3B1 . . 107.8
C2B C3B H3B1 . . 107.8
C4B C3B H3B2 . . 107.8
C2B C3B H3B2 . . 107.8
H3B1 C3B H3B2 . . 107.2
C3B C4B C5B . . 111.1(5)
C3B C4B H4B1 . . 109.4
C5B C4B H4B1 . . 109.4
C3B C4B H4B2 . . 109.4
C5B C4B H4B2 . . 109.4
H4B1 C4B H4B2 . . 108.0
C6B C5B C4B . . 116.8(6)
C6B C5B H5B1 . . 108.1
C4B C5B H5B1 . . 108.1
C6B C5B H5B2 . . 108.1
C4B C5B H5B2 . . 108.1
H5B1 C5B H5B2 . . 107.3
C5B C6B C7B . . 112.8(5)
C5B C6B H6B1 . . 109.0
C7B C6B H6B1 . . 109.0
C5B C6B H6B2 . . 109.0
C7B C6B H6B2 . . 109.0
H6B1 C6B H6B2 . . 107.8
C8B C7B C6B . . 116.5(5)
C8B C7B H7B1 . . 108.2
C6B C7B H7B1 . . 108.2
C8B C7B H7B2 . . 108.2
C6B C7B H7B2 . . 108.2
H7B1 C7B H7B2 . . 107.3
C7B C8B C9B . . 112.6(5)
C7B C8B H8B1 . . 109.1
C9B C8B H8B1 . . 109.1
C7B C8B H8B2 . . 109.1
C9B C8B H8B2 . . 109.1
H8B1 C8B H8B2 . . 107.8
C10B C9B C8B . . 115.7(5)
C10B C9B H9B1 . . 108.4
C8B C9B H9B1 . . 108.4
C10B C9B H9B2 . . 108.4
C8B C9B H9B2 . . 108.4
H9B1 C9B H9B2 . . 107.4
C11B C10B C9B . . 113.8(5)
C11B C10B H10C . . 108.8
C9B C10B H10C . . 108.8
C11B C10B H10D . . 108.8
C9B C10B H10D . . 108.8
H10C C10B H10D . . 107.7
C12B C11B C10B . . 115.7(6)
C12B C11B H11C . . 108.4
C10B C11B H11C . . 108.4
C12B C11B H11D . . 108.4
C10B C11B H11D . . 108.4
H11C C11B H11D . . 107.4
C11B C12B H12D . . 109.5
C11B C12B H12E . . 109.5
H12D C12B H12E . . 109.5
C11B C12B H12F . . 109.5
H12D C12B H12F . . 109.5
H12E C12B H12F . . 109.5
C2C C1C S3 . . 113.3(4)
C2C C1C H1C1 . . 108.9
S3 C1C H1C1 . . 108.9
C2C C1C H1C2 . . 108.9
S3 C1C H1C2 . . 108.9
H1C1 C1C H1C2 . . 107.7
C3C C2C C1C . . 110.9(5)
C3C C2C H2C1 . . 109.5
C1C C2C H2C1 . . 109.5
C3C C2C H2C2 . . 109.5
C1C C2C H2C2 . . 109.5
H2C1 C2C H2C2 . . 108.0
C2C C3C C4C . . 114.0(5)
C2C C3C H3C1 . . 108.7
C4C C3C H3C1 . . 108.7
C2C C3C H3C2 . . 108.7
C4C C3C H3C2 . . 108.7
H3C1 C3C H3C2 . . 107.6
C5C C4C C3C . . 113.9(5)
C5C C4C H4C1 . . 108.8
C3C C4C H4C1 . . 108.8
C5C C4C H4C2 . . 108.8
C3C C4C H4C2 . . 108.8
H4C1 C4C H4C2 . . 107.7
C4C C5C C6C . . 113.0(5)
C4C C5C H5C1 . . 109.0
C6C C5C H5C1 . . 109.0
C4C C5C H5C2 . . 109.0
C6C C5C H5C2 . . 109.0
H5C1 C5C H5C2 . . 107.8
C7C C6C C5C . . 114.7(5)
C7C C6C H6C1 . . 108.6
C5C C6C H6C1 . . 108.6
C7C C6C H6C2 . . 108.6
C5C C6C H6C2 . . 108.6
H6C1 C6C H6C2 . . 107.6
C6C C7C C8C . . 112.9(5)
C6C C7C H7C1 . . 109.0
C8C C7C H7C1 . . 109.0
C6C C7C H7C2 . . 109.0
C8C C7C H7C2 . . 109.0
H7C1 C7C H7C2 . . 107.8
C9C C8C C7C . . 115.4(5)
C9C C8C H8C1 . . 108.4
C7C C8C H8C1 . . 108.4
C9C C8C H8C2 . . 108.4
C7C C8C H8C2 . . 108.4
H8C1 C8C H8C2 . . 107.5
C8C C9C C10C . . 112.2(5)
C8C C9C H9C1 . . 109.2
C10C C9C H9C1 . . 109.2
C8C C9C H9C2 . . 109.2
C10C C9C H9C2 . . 109.2
H9C1 C9C H9C2 . . 107.9
C11C C10C C9C . . 115.3(6)
C11C C10C H10E . . 108.4
C9C C10C H10E . . 108.4
C11C C10C H10F . . 108.4
C9C C10C H10F . . 108.4
H10E C10C H10F . . 107.5
C10C C11C C12C . . 112.6(7)
C10C C11C H11E . . 109.1
C12C C11C H11E . . 109.1
C10C C11C H11F . . 109.1
C12C C11C H11F . . 109.1
H11E C11C H11F . . 107.8
C11C C12C H12G . . 109.5
C11C C12C H12H . . 109.5
H12G C12C H12H . . 109.5
C11C C12C H12I . . 109.5
H12G C12C H12I . . 109.5
H12H C12C H12I . . 109.5
C2D C1D S4 . . 111.0(4)
C2D C1D H1D1 . . 109.4
S4 C1D H1D1 . . 109.4
C2D C1D H1D2 . . 109.4
S4 C1D H1D2 . . 109.4
H1D1 C1D H1D2 . . 108.0
C3D C2D C1D . . 115.0(5)
C3D C2D H2D1 . . 108.5
C1D C2D H2D1 . . 108.5
C3D C2D H2D2 . . 108.5
C1D C2D H2D2 . . 108.5
H2D1 C2D H2D2 . . 107.5
C2D C3D C4D . . 113.3(5)
C2D C3D H3D1 . . 108.9
C4D C3D H3D1 . . 108.9
C2D C3D H3D2 . . 108.9
C4D C3D H3D2 . . 108.9
H3D1 C3D H3D2 . . 107.7
C3D C4D C5D . . 114.0(5)
C3D C4D H4D1 . . 108.8
C5D C4D H4D1 . . 108.8
C3D C4D H4D2 . . 108.8
C5D C4D H4D2 . . 108.8
H4D1 C4D H4D2 . . 107.6
C4D C5D C6D . . 113.7(5)
C4D C5D H5D1 . . 108.8
C6D C5D H5D1 . . 108.8
C4D C5D H5D2 . . 108.8
C6D C5D H5D2 . . 108.8
H5D1 C5D H5D2 . . 107.7
C5D C6D C7D . . 113.8(5)
C5D C6D H6D1 . . 108.8
C7D C6D H6D1 . . 108.8
C5D C6D H6D2 . . 108.8
C7D C6D H6D2 . . 108.8
H6D1 C6D H6D2 . . 107.7
C8D C7D C6D . . 113.9(5)
C8D C7D H7D1 . . 108.8
C6D C7D H7D1 . . 108.8
C8D C7D H7D2 . . 108.8
C6D C7D H7D2 . . 108.8
H7D1 C7D H7D2 . . 107.7
C7D C8D C9D . . 114.3(5)
C7D C8D H8D1 . . 108.7
C9D C8D H8D1 . . 108.7
C7D C8D H8D2 . . 108.7
C9D C8D H8D2 . . 108.7
H8D1 C8D H8D2 . . 107.6
C10D C9D C8D . . 114.4(5)
C10D C9D H9D1 . . 108.7
C8D C9D H9D1 . . 108.7
C10D C9D H9D2 . . 108.7
C8D C9D H9D2 . . 108.7
H9D1 C9D H9D2 . . 107.6
C9D C10D C11D . . 115.2(5)
C9D C10D H10G . . 108.5
C11D C10D H10G . . 108.5
C9D C10D H10H . . 108.5
C11D C10D H10H . . 108.5
H10G C10D H10H . . 107.5
C12D C11D C10D . . 113.3(5)
C12D C11D H11G . . 108.9
C10D C11D H11G . . 108.9
C12D C11D H11H . . 108.9
C10D C11D H11H . . 108.9
H11G C11D H11H . . 107.7
C11D C12D H12J . . 109.5
C11D C12D H12K . . 109.5
H12J C12D H12K . . 109.5
C11D C12D H12L . . 109.5
H12J C12D H12L . . 109.5
H12K C12D H12L . . 109.5
C2E C1E S5 . . 112.3(4)
C2E C1E H1E1 . . 109.2
S5 C1E H1E1 . . 109.2
C2E C1E H1E2 . . 109.2
S5 C1E H1E2 . . 109.2
H1E1 C1E H1E2 . . 107.9
C1E C2E C3E . . 111.2(5)
C1E C2E H2E1 . . 109.4
C3E C2E H2E1 . . 109.4
C1E C2E H2E2 . . 109.4
C3E C2E H2E2 . . 109.4
H2E1 C2E H2E2 . . 108.0
C2E C3E C4E . . 114.1(5)
C2E C3E H3E1 . . 108.7
C4E C3E H3E1 . . 108.7
C2E C3E H3E2 . . 108.7
C4E C3E H3E2 . . 108.7
H3E1 C3E H3E2 . . 107.6
C5E C4E C3E . . 113.3(5)
C5E C4E H4E1 . . 108.9
C3E C4E H4E1 . . 108.9
C5E C4E H4E2 . . 108.9
C3E C4E H4E2 . . 108.9
H4E1 C4E H4E2 . . 107.7
C6E C5E C4E . . 113.7(5)
C6E C5E H5E1 . . 108.8
C4E C5E H5E1 . . 108.8
C6E C5E H5E2 . . 108.8
C4E C5E H5E2 . . 108.8
H5E1 C5E H5E2 . . 107.7
C5E C6E C7E . . 113.9(5)
C5E C6E H6E1 . . 108.8
C7E C6E H6E1 . . 108.8
C5E C6E H6E2 . . 108.8
C7E C6E H6E2 . . 108.8
H6E1 C6E H6E2 . . 107.7
C8E C7E C6E . . 113.0(5)
C8E C7E H7E1 . . 109.0
C6E C7E H7E1 . . 109.0
C8E C7E H7E2 . . 109.0
C6E C7E H7E2 . . 109.0
H7E1 C7E H7E2 . . 107.8
C9E C8E C7E . . 114.0(5)
C9E C8E H8E1 . . 108.8
C7E C8E H8E1 . . 108.8
C9E C8E H8E2 . . 108.8
C7E C8E H8E2 . . 108.8
H8E1 C8E H8E2 . . 107.7
C8E C9E C10E . . 112.5(6)
C8E C9E H9E1 . . 109.1
C10E C9E H9E1 . . 109.1
C8E C9E H9E2 . . 109.1
C10E C9E H9E2 . . 109.1
H9E1 C9E H9E2 . . 107.8
C11E C10E C9E . . 115.2(6)
C11E C10E H10I . . 108.5
C9E C10E H10I . . 108.5
C11E C10E H10J . . 108.5
C9E C10E H10J . . 108.5
H10I C10E H10J . . 107.5
C12E C11E C10E . . 113.4(6)
C12E C11E H11I . . 108.9
C10E C11E H11I . . 108.9
C12E C11E H11J . . 108.9
C10E C11E H11J . . 108.9
H11I C11E H11J . . 107.7
C11E C12E H12M . . 109.5
C11E C12E H12N . . 109.5
H12M C12E H12N . . 109.5
C11E C12E H12O . . 109.5
H12M C12E H12O . . 109.5
H12N C12E H12O . . 109.5
C2F C1F S6 . . 111.0(4)
C2F C1F H1F1 . . 109.4
S6 C1F H1F1 . . 109.4
C2F C1F H1F2 . . 109.4
S6 C1F H1F2 . . 109.4
H1F1 C1F H1F2 . . 108.0
C1F C2F C3F . . 113.8(5)
C1F C2F H2F1 . . 108.8
C3F C2F H2F1 . . 108.8
C1F C2F H2F2 . . 108.8
C3F C2F H2F2 . . 108.8
H2F1 C2F H2F2 . . 107.7
C4F C3F C2F . . 112.9(5)
C4F C3F H3F1 . . 109.0
C2F C3F H3F1 . . 109.0
C4F C3F H3F2 . . 109.0
C2F C3F H3F2 . . 109.0
H3F1 C3F H3F2 . . 107.8
C5F C4F C3F . . 114.8(5)
C5F C4F H4F1 . . 108.6
C3F C4F H4F1 . . 108.6
C5F C4F H4F2 . . 108.6
C3F C4F H4F2 . . 108.6
H4F1 C4F H4F2 . . 107.5
C6F C5F C4F . . 114.1(5)
C6F C5F H5F1 . . 108.7
C4F C5F H5F1 . . 108.7
C6F C5F H5F2 . . 108.7
C4F C5F H5F2 . . 108.7
H5F1 C5F H5F2 . . 107.6
C5F C6F C7F . . 114.5(5)
C5F C6F H6F1 . . 108.6
C7F C6F H6F1 . . 108.6
C5F C6F H6F2 . . 108.6
C7F C6F H6F2 . . 108.6
H6F1 C6F H6F2 . . 107.6
C6F C7F C8F . . 114.0(5)
C6F C7F H7F1 . . 108.8
C8F C7F H7F1 . . 108.8
C6F C7F H7F2 . . 108.8
C8F C7F H7F2 . . 108.8
H7F1 C7F H7F2 . . 107.7
C9F C8F C7F . . 112.9(5)
C9F C8F H8F1 . . 109.0
C7F C8F H8F1 . . 109.0
C9F C8F H8F2 . . 109.0
C7F C8F H8F2 . . 109.0
H8F1 C8F H8F2 . . 107.8
C8F C9F C10F . . 114.7(5)
C8F C9F H9F1 . . 108.6
C10F C9F H9F1 . . 108.6
C8F C9F H9F2 . . 108.6
C10F C9F H9F2 . . 108.6
H9F1 C9F H9F2 . . 107.6
C9F C10F C11F . . 113.3(5)
C9F C10F H10K . . 108.9
C11F C10F H10K . . 108.9
C9F C10F H10L . . 108.9
C11F C10F H10L . . 108.9
H10K C10F H10L . . 107.7
C12F C11F C10F . . 113.8(6)
C12F C11F H11K . . 108.8
C10F C11F H11K . . 108.8
C12F C11F H11L . . 108.8
C10F C11F H11L . . 108.8
H11K C11F H11L . . 107.7
C11F C12F H12P . . 109.5
C11F C12F H12Q . . 109.5
H12P C12F H12Q . . 109.5
C11F C12F H12R . . 109.5
H12P C12F H12R . . 109.5
H12Q C12F H12R . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Pt1 S6 2_656 2.3139(13)
Pt1 S2 . 2.3151(13)
Pt1 S1 . 2.3164(14)
Pt1 S5 2_656 2.3232(14)
Pt1 Pt2 . 3.0889(3)
Pt1 Pt3 2_656 3.2295(3)
Pt2 S1 . 2.3187(14)
Pt2 S2 . 2.3197(14)
Pt2 S4 . 2.3199(15)
Pt2 S3 . 2.3217(14)
Pt2 Pt3 . 3.1957(3)
Pt3 S6 . 2.3194(14)
Pt3 S5 . 2.3211(14)
Pt3 S4 . 2.3237(14)
Pt3 S3 . 2.3247(15)
Pt3 Pt1 2_656 3.2296(3)
S1 C1A . 1.825(6)
S2 C1B . 1.834(6)
S3 C1C . 1.832(6)
S4 C1D . 1.831(6)
S5 C1E . 1.828(6)
S5 Pt1 2_656 2.3233(14)
S6 C1F . 1.823(6)
S6 Pt1 2_656 2.3140(13)
C1A C2A . 1.502(8)
C1A H1A1 . 0.99
C1A H1A2 . 0.99
C2A C3A . 1.529(8)
C2A H2A1 . 0.99
C2A H2A2 . 0.99
C3A C4A . 1.517(8)
C3A H3A1 . 0.99
C3A H3A2 . 0.99
C4A C5A . 1.524(8)
C4A H4A1 . 0.99
C4A H4A2 . 0.99
C5A C6A . 1.521(8)
C5A H5A1 . 0.99
C5A H5A2 . 0.99
C6A C7A . 1.512(8)
C6A H6A1 . 0.99
C6A H6A2 . 0.99
C7A C8A . 1.518(8)
C7A H7A1 . 0.99
C7A H7A2 . 0.99
C8A C9A . 1.523(8)
C8A H8A1 . 0.99
C8A H8A2 . 0.99
C9A C10A . 1.524(8)
C9A H9A1 . 0.99
C9A H9A2 . 0.99
C10A C11A . 1.512(8)
C10A H10A . 0.99
C10A H10B . 0.99
C11A C12A . 1.528(9)
C11A H11A . 0.99
C11A H11B . 0.99
C12A H12A . 0.98
C12A H12B . 0.98
C12A H12C . 0.98
C1B C2B . 1.514(8)
C1B H1B1 . 0.99
C1B H1B2 . 0.99
C2B C3B . 1.538(8)
C2B H2B1 . 0.99
C2B H2B2 . 0.99
C3B C4B . 1.524(9)
C3B H3B1 . 0.99
C3B H3B2 . 0.99
C4B C5B . 1.535(8)
C4B H4B1 . 0.99
C4B H4B2 . 0.99
C5B C6B . 1.515(9)
C5B H5B1 . 0.99
C5B H5B2 . 0.99
C6B C7B . 1.523(8)
C6B H6B1 . 0.99
C6B H6B2 . 0.99
C7B C8B . 1.518(9)
C7B H7B1 . 0.99
C7B H7B2 . 0.99
C8B C9B . 1.522(9)
C8B H8B1 . 0.99
C8B H8B2 . 0.99
C9B C10B . 1.521(9)
C9B H9B1 . 0.99
C9B H9B2 . 0.99
C10B C11B . 1.520(9)
C10B H10C . 0.99
C10B H10D . 0.99
C11B C12B . 1.511(9)
C11B H11C . 0.99
C11B H11D . 0.99
C12B H12D . 0.98
C12B H12E . 0.98
C12B H12F . 0.98
C1C C2C . 1.517(8)
C1C H1C1 . 0.99
C1C H1C2 . 0.99
C2C C3C . 1.511(8)
C2C H2C1 . 0.99
C2C H2C2 . 0.99
C3C C4C . 1.523(8)
C3C H3C1 . 0.99
C3C H3C2 . 0.99
C4C C5C . 1.518(8)
C4C H4C1 . 0.99
C4C H4C2 . 0.99
C5C C6C . 1.522(8)
C5C H5C1 . 0.99
C5C H5C2 . 0.99
C6C C7C . 1.510(8)
C6C H6C1 . 0.99
C6C H6C2 . 0.99
C7C C8C . 1.518(8)
C7C H7C1 . 0.99
C7C H7C2 . 0.99
C8C C9C . 1.516(8)
C8C H8C1 . 0.99
C8C H8C2 . 0.99
C9C C10C . 1.528(9)
C9C H9C1 . 0.99
C9C H9C2 . 0.99
C10C C11C . 1.507(9)
C10C H10E . 0.99
C10C H10F . 0.99
C11C C12C . 1.508(10)
C11C H11E . 0.99
C11C H11F . 0.99
C12C H12G . 0.98
C12C H12H . 0.98
C12C H12I . 0.98
C1D C2D . 1.535(8)
C1D H1D1 . 0.99
C1D H1D2 . 0.99
C2D C3D . 1.514(8)
C2D H2D1 . 0.99
C2D H2D2 . 0.99
C3D C4D . 1.516(8)
C3D H3D1 . 0.99
C3D H3D2 . 0.99
C4D C5D . 1.522(8)
C4D H4D1 . 0.99
C4D H4D2 . 0.99
C5D C6D . 1.524(8)
C5D H5D1 . 0.99
C5D H5D2 . 0.99
C6D C7D . 1.530(8)
C6D H6D1 . 0.99
C6D H6D2 . 0.99
C7D C8D . 1.521(8)
C7D H7D1 . 0.99
C7D H7D2 . 0.99
C8D C9D . 1.529(8)
C8D H8D1 . 0.99
C8D H8D2 . 0.99
C9D C10D . 1.509(8)
C9D H9D1 . 0.99
C9D H9D2 . 0.99
C10D C11D . 1.520(8)
C10D H10G . 0.99
C10D H10H . 0.99
C11D C12D . 1.519(9)
C11D H11G . 0.99
C11D H11H . 0.99
C12D H12J . 0.98
C12D H12K . 0.98
C12D H12L . 0.98
C1E C2E . 1.515(8)
C1E H1E1 . 0.99
C1E H1E2 . 0.99
C2E C3E . 1.515(8)
C2E H2E1 . 0.99
C2E H2E2 . 0.99
C3E C4E . 1.526(8)
C3E H3E1 . 0.99
C3E H3E2 . 0.99
C4E C5E . 1.521(8)
C4E H4E1 . 0.99
C4E H4E2 . 0.99
C5E C6E . 1.517(8)
C5E H5E1 . 0.99
C5E H5E2 . 0.99
C6E C7E . 1.524(8)
C6E H6E1 . 0.99
C6E H6E2 . 0.99
C7E C8E . 1.523(8)
C7E H7E1 . 0.99
C7E H7E2 . 0.99
C8E C9E . 1.512(8)
C8E H8E1 . 0.99
C8E H8E2 . 0.99
C9E C10E . 1.535(9)
C9E H9E1 . 0.99
C9E H9E2 . 0.99
C10E C11E . 1.529(9)
C10E H10I . 0.99
C10E H10J . 0.99
C11E C12E . 1.505(10)
C11E H11I . 0.99
C11E H11J . 0.99
C12E H12M . 0.98
C12E H12N . 0.98
C12E H12O . 0.98
C1F C2F . 1.521(7)
C1F H1F1 . 0.99
C1F H1F2 . 0.99
C2F C3F . 1.530(8)
C2F H2F1 . 0.99
C2F H2F2 . 0.99
C3F C4F . 1.520(8)
C3F H3F1 . 0.99
C3F H3F2 . 0.99
C4F C5F . 1.515(8)
C4F H4F1 . 0.99
C4F H4F2 . 0.99
C5F C6F . 1.510(8)
C5F H5F1 . 0.99
C5F H5F2 . 0.99
C6F C7F . 1.515(8)
C6F H6F1 . 0.99
C6F H6F2 . 0.99
C7F C8F . 1.535(8)
C7F H7F1 . 0.99
C7F H7F2 . 0.99
C8F C9F . 1.512(8)
C8F H8F1 . 0.99
C8F H8F2 . 0.99
C9F C10F . 1.518(8)
C9F H9F1 . 0.99
C9F H9F2 . 0.99
C10F C11F . 1.519(8)
C10F H10K . 0.99
C10F H10L . 0.99
C11F C12F . 1.509(9)
C11F H11K . 0.99
C11F H11L . 0.99
C12F H12P . 0.98
C12F H12Q . 0.98
C12F H12R . 0.98
