#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/91/7009101.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_7009101
loop_
_publ_author_name
'Smucker, Bradley W.'
'Dunbar, Kim R.'
_publ_section_title
;
 Homoleptic complexes of Ag(I), Cu(I), Pd(II) and Pt(II) with
 tetrathiafulvalene-functionalized phosphine ligands †
;
_journal_issue                   8
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1309
_journal_paper_doi               10.1039/a908559i
_journal_year                    2000
_chemical_formula_sum            'C56 H44 B Cl4 F4 P4 Pt0.5 S4'
_chemical_formula_weight         1295.19
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 115.17(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.109(3)
_cell_length_b                   19.069(4)
_cell_length_c                   19.339(4)
_cell_measurement_temperature    173(2)
_cell_volume                     5710(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.641
_diffrn_measured_fraction_theta_max 0.641
_diffrn_measurement_device_type  'Bruker Smart1000 CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0859
_diffrn_reflns_av_sigmaI/netI    0.0798
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            31256
_diffrn_reflns_theta_full        28.21
_diffrn_reflns_theta_max         28.21
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    1.735
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular box'
_exptl_crystal_F_000             2608
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.769
_refine_diff_density_min         -0.890
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.953
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     664
_refine_ls_number_reflns         9020
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.953
_refine_ls_R_factor_all          0.0983
_refine_ls_R_factor_gt           0.0533
_refine_ls_shift/su_max          0.074
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1285
_refine_ls_wR_factor_ref         0.1508
_reflns_number_gt                6209
_reflns_number_total             9020
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            a908559i.txt
_cod_data_source_block           new1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C56 H44 B Cl4 F4 P4 Pt0.50 S4'
_cod_database_code               7009101
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 1.5000 1.0000 1.0000 0.02327(15) Uani 1 2 d S . .
P1 P 1.38837(11) 0.92417(9) 0.92626(10) 0.0279(5) Uani 1 1 d . . .
P2 P 1.39100(11) 1.08348(9) 0.97448(10) 0.0265(5) Uani 1 1 d . . .
P3 P 0.82028(13) 0.89973(11) 0.71574(13) 0.0449(6) Uani 1 1 d . . .
P4 P 0.80331(13) 1.06684(11) 0.76359(12) 0.0409(6) Uani 1 1 d . . .
S1 S 1.20318(11) 0.94939(9) 0.79890(10) 0.0357(5) Uani 1 1 d . . .
S2 S 1.20184(11) 1.09647(9) 0.84778(11) 0.0358(5) Uani 1 1 d . . .
S3 S 0.99766(11) 0.94394(10) 0.71988(11) 0.0401(5) Uani 1 1 d . . .
S4 S 0.98486(11) 1.08867(10) 0.76472(11) 0.0400(5) Uani 1 1 d . . .
C1 C 1.2960(4) 0.9803(3) 0.8748(4) 0.0285(18) Uani 1 1 d . . .
C2 C 1.2959(4) 1.0467(3) 0.8975(4) 0.0299(18) Uani 1 1 d . . .
C3 C 1.1400(4) 1.0224(4) 0.7995(4) 0.0329(19) Uani 1 1 d . . .
C4 C 1.0537(5) 1.0196(4) 0.7654(4) 0.0343(19) Uani 1 1 d . . .
C5 C 0.9043(4) 0.9647(4) 0.7335(4) 0.039(2) Uani 1 1 d . . .
C6 C 0.8979(4) 1.0321(4) 0.7520(4) 0.039(2) Uani 1 1 d . . .
C10 C 1.3985(4) 0.8753(4) 0.8508(4) 0.035(2) Uani 1 1 d . . .
C20 C 1.3540(4) 0.8638(3) 0.9807(4) 0.0315(19) Uani 1 1 d . . .
C21 C 1.3845(5) 0.8732(4) 1.0591(4) 0.041(2) Uani 1 1 d . . .
H21A H 1.4246 0.9083 1.0833 0.050 Uiso 1 1 calc R . .
C30 C 1.3623(4) 1.0999(3) 1.0525(4) 0.0299(18) Uani 1 1 d . . .
C60 C 0.8789(5) 0.8309(4) 0.7834(4) 0.044(2) Uani 1 1 d . . .
C70 C 0.7221(5) 1.0716(4) 0.6636(5) 0.045(2) Uani 1 1 d . . .
C71 C 0.7401(6) 1.0743(4) 0.6007(5) 0.054(2) Uani 1 1 d . . .
H71A H 0.7974 1.0749 0.6080 0.065 Uiso 1 1 calc R . .
C31 C 1.4015(5) 1.0602(4) 1.1192(4) 0.038(2) Uani 1 1 d . . .
H31A H 1.4436 1.0274 1.1235 0.045 Uiso 1 1 calc R . .
C50 C 0.8114(6) 0.8642(5) 0.6248(5) 0.056(3) Uani 1 1 d . . .
C32 C 1.3784(5) 1.0693(5) 1.1784(5) 0.049(2) Uani 1 1 d . . .
H32A H 1.4055 1.0434 1.2230 0.059 Uiso 1 1 calc R . .
C35 C 1.2973(5) 1.1485(4) 1.0457(5) 0.045(2) Uani 1 1 d . . .
H35A H 1.2696 1.1748 1.0014 0.054 Uiso 1 1 calc R . .
C62 C 0.8796(7) 0.7102(5) 0.8244(5) 0.072(3) Uani 1 1 d . . .
H62A H 0.8548 0.6659 0.8161 0.087 Uiso 1 1 calc R . .
C45 C 1.4128(5) 1.2304(4) 0.9719(5) 0.044(2) Uani 1 1 d . . .
H45A H 1.4152 1.2319 1.0208 0.053 Uiso 1 1 calc R . .
C41 C 1.3992(5) 1.1655(4) 0.8607(5) 0.044(2) Uani 1 1 d . . .
H41A H 1.3914 1.1232 0.8346 0.053 Uiso 1 1 calc R . .
C25 C 1.2936(5) 0.8119(4) 0.9448(5) 0.046(2) Uani 1 1 d . . .
H25A H 1.2718 0.8060 0.8922 0.055 Uiso 1 1 calc R . .
C33 C 1.3140(5) 1.1177(5) 1.1715(5) 0.059(3) Uani 1 1 d . . .
H33A H 1.2975 1.1235 1.2112 0.071 Uiso 1 1 calc R . .
C40 C 1.4015(4) 1.1668(3) 0.9341(4) 0.0299(18) Uani 1 1 d . . .
C11 C 1.4220(5) 0.8046(4) 0.8599(5) 0.048(2) Uani 1 1 d . . .
H11A H 1.4266 0.7806 0.9033 0.057 Uiso 1 1 calc R . .
C15 C 1.3887(4) 0.9099(4) 0.7852(4) 0.041(2) Uani 1 1 d . . .
H15A H 1.3721 0.9568 0.7789 0.050 Uiso 1 1 calc R . .
C61 C 0.8410(6) 0.7634(4) 0.7713(5) 0.052(2) Uani 1 1 d . . .
H61A H 0.7904 0.7544 0.7278 0.062 Uiso 1 1 calc R . .
C75 C 0.6361(5) 1.0709(4) 0.6513(5) 0.057(2) Uani 1 1 d . . .
H75A H 0.6224 1.0699 0.6930 0.068 Uiso 1 1 calc R . .
C24 C 1.2657(5) 0.7689(4) 0.9870(5) 0.055(2) Uani 1 1 d . . .
H24A H 1.2268 0.7329 0.9629 0.066 Uiso 1 1 calc R . .
C22 C 1.3557(5) 0.8306(4) 1.1016(5) 0.054(2) Uani 1 1 d . . .
H22A H 1.3768 0.8368 1.1541 0.065 Uiso 1 1 calc R . .
C14 C 1.4032(5) 0.8759(5) 0.7282(5) 0.058(3) Uani 1 1 d . . .
H14A H 1.3960 0.8993 0.6837 0.069 Uiso 1 1 calc R . .
C81 C 0.8443(5) 1.2067(4) 0.7344(5) 0.054(2) Uani 1 1 d . . .
H81A H 0.8273 1.1933 0.6838 0.065 Uiso 1 1 calc R . .
C80 C 0.8364(5) 1.1591(4) 0.7865(4) 0.042(2) Uani 1 1 d . . .
C23 C 1.2950(5) 0.7786(4) 1.0653(5) 0.056(3) Uani 1 1 d . . .
H23A H 1.2742 0.7506 1.0932 0.067 Uiso 1 1 calc R . .
C42 C 1.4086(5) 1.2274(5) 0.8271(5) 0.061(3) Uani 1 1 d . . .
H42A H 1.4070 1.2267 0.7784 0.073 Uiso 1 1 calc R . .
C44 C 1.4206(6) 1.2922(4) 0.9367(6) 0.068(3) Uani 1 1 d . . .
H44A H 1.4261 1.3350 0.9614 0.081 Uiso 1 1 calc R . .
Cl2 Cl 0.8423(2) 1.05285(18) 0.0197(2) 0.1107(11) Uani 1 1 d . . .
Cl1 Cl 0.9349(2) 0.92515(19) 0.0280(2) 0.1178(12) Uani 1 1 d . . .
C82 C 0.8766(5) 1.2729(5) 0.7572(5) 0.058(3) Uani 1 1 d . . .
H82A H 0.8841 1.3033 0.7229 0.070 Uiso 1 1 calc R . .
C72 C 0.6754(6) 1.0760(5) 0.5268(5) 0.067(3) Uani 1 1 d . . .
H72A H 0.6889 1.0787 0.4851 0.080 Uiso 1 1 calc R . .
C73 C 0.5908(7) 1.0738(5) 0.5164(6) 0.073(3) Uani 1 1 d . . .
H73A H 0.5469 1.0738 0.4671 0.087 Uiso 1 1 calc R . .
C84 C 0.8905(7) 1.2484(5) 0.8831(5) 0.071(3) Uani 1 1 d . . .
H84A H 0.9059 1.2624 0.9333 0.086 Uiso 1 1 calc R . .
C83 C 0.8982(6) 1.2941(4) 0.8319(5) 0.061(3) Uani 1 1 d . . .
H83A H 0.9179 1.3395 0.8471 0.074 Uiso 1 1 calc R . .
C43 C 1.4202(6) 1.2897(5) 0.8660(6) 0.064(3) Uani 1 1 d . . .
H43A H 1.4279 1.3308 0.8437 0.077 Uiso 1 1 calc R . .
C13 C 1.4285(6) 0.8066(6) 0.7391(6) 0.077(3) Uani 1 1 d . . .
H13A H 1.4392 0.7836 0.7016 0.092 Uiso 1 1 calc R . .
C34 C 1.2757(6) 1.1558(5) 1.1066(5) 0.058(3) Uani 1 1 d . . .
H34A H 1.2334 1.1881 1.1028 0.069 Uiso 1 1 calc R . .
C12 C 1.4385(6) 0.7704(5) 0.8045(7) 0.073(3) Uani 1 1 d . . .
H12A H 1.4560 0.7237 0.8110 0.088 Uiso 1 1 calc R . .
C85 C 0.8598(6) 1.1815(4) 0.8601(5) 0.059(3) Uani 1 1 d . . .
H85A H 0.8549 1.1507 0.8954 0.071 Uiso 1 1 calc R . .
C1S C 0.8663(9) 0.9885(5) -0.0311(7) 0.112(5) Uani 1 1 d . . .
H1SA H 0.8931 1.0100 -0.0611 0.135 Uiso 1 1 calc R . .
H1SB H 0.8131 0.9664 -0.0661 0.135 Uiso 1 1 calc R . .
C51 C 0.8659(7) 0.8160(5) 0.6169(5) 0.068(3) Uani 1 1 d . . .
H51A H 0.9094 0.7963 0.6602 0.081 Uiso 1 1 calc R . .
C65 C 0.9533(6) 0.8424(5) 0.8498(5) 0.063(3) Uani 1 1 d . . .
H65A H 0.9776 0.8869 0.8603 0.076 Uiso 1 1 calc R . .
C74 C 0.5702(6) 1.0715(5) 0.5777(7) 0.077(3) Uani 1 1 d . . .
H74A H 0.5127 1.0705 0.5701 0.093 Uiso 1 1 calc R . .
C63 C 0.9536(8) 0.7228(5) 0.8884(6) 0.086(4) Uani 1 1 d . . .
H63A H 0.9785 0.6872 0.9239 0.103 Uiso 1 1 calc R . .
C55 C 0.7452(7) 0.8923(6) 0.5595(6) 0.099(5) Uani 1 1 d . . .
H55A H 0.7077 0.9252 0.5644 0.119 Uiso 1 1 calc R . .
C53 C 0.7920(15) 0.8257(9) 0.4827(9) 0.135(9) Uani 1 1 d . . .
H53A H 0.7862 0.8138 0.4341 0.162 Uiso 1 1 calc R . .
C64 C 0.9914(7) 0.7884(5) 0.9004(5) 0.095(4) Uani 1 1 d . . .
H64A H 1.0431 0.7962 0.9431 0.113 Uiso 1 1 calc R . .
C52 C 0.8568(10) 0.7959(7) 0.5442(8) 0.115(5) Uani 1 1 d . . .
H52A H 0.8938 0.7632 0.5382 0.138 Uiso 1 1 calc R . .
C54 C 0.7354(13) 0.8722(10) 0.4892(8) 0.152(9) Uani 1 1 d . . .
H54A H 0.6902 0.8899 0.4458 0.182 Uiso 1 1 calc R . .
Cl4 Cl 0.9064(3) 0.9799(2) 0.40177(19) 0.1164(12) Uani 1 1 d . . .
Cl3 Cl 0.8537(3) 1.09197(19) 0.4696(3) 0.1554(18) Uani 1 1 d . . .
F4 F 1.5130(4) 0.9377(3) 0.2243(3) 0.100(2) Uani 1 1 d . . .
F3 F 1.6535(4) 0.9304(3) 0.3013(3) 0.0923(19) Uani 1 1 d . . .
F2 F 1.5603(5) 0.8627(4) 0.3222(4) 0.115(2) Uani 1 1 d . . .
F1 F 1.5627(5) 0.9776(4) 0.3447(4) 0.110(2) Uani 1 1 d . . .
B1 B 1.5702(9) 0.9270(7) 0.2983(7) 0.069(3) Uani 1 1 d . . .
C2S C 0.8428(12) 1.0068(6) 0.4412(12) 0.173(9) Uani 1 1 d . . .
H2SA H 0.8534 0.9775 0.4853 0.208 Uiso 1 1 calc R . .
H2SB H 0.7833 0.9992 0.4049 0.208 Uiso 1 1 calc R . .
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'
B B 0.0013 0.0007 '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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Pt1 P1 179.997(1) 3_877 . ?
P1 Pt1 P2 85.47(6) 3_877 3_877 ?
P1 Pt1 P2 94.53(6) . 3_877 ?
P1 Pt1 P2 94.53(6) 3_877 . ?
P1 Pt1 P2 85.47(6) . . ?
P2 Pt1 P2 179.998(1) 3_877 . ?
C10 P1 C1 102.9(3) . . ?
C10 P1 C20 107.9(4) . . ?
C1 P1 C20 105.7(3) . . ?
C10 P1 Pt1 118.6(2) . . ?
C1 P1 Pt1 105.4(2) . . ?
C20 P1 Pt1 114.9(2) . . ?
C30 P2 C40 108.7(3) . . ?
C30 P2 C2 106.6(3) . . ?
C40 P2 C2 101.8(3) . . ?
C30 P2 Pt1 114.7(2) . . ?
C40 P2 Pt1 118.1(2) . . ?
C2 P2 Pt1 105.4(2) . . ?
C5 P3 C50 99.8(4) . . ?
C5 P3 C60 101.9(3) . . ?
C50 P3 C60 102.7(4) . . ?
C80 P4 C70 102.9(3) . . ?
C80 P4 C6 100.1(4) . . ?
C70 P4 C6 101.5(4) . . ?
C1 S1 C3 94.0(3) . . ?
C2 S2 C3 93.4(3) . . ?
C4 S3 C5 94.4(4) . . ?
C4 S4 C6 93.8(4) . . ?
C2 C1 S1 117.9(5) . . ?
C2 C1 P1 120.0(5) . . ?
S1 C1 P1 122.1(4) . . ?
C1 C2 S2 117.3(5) . . ?
C1 C2 P2 120.5(5) . . ?
S2 C2 P2 122.1(4) . . ?
C4 C3 S1 121.1(5) . . ?
C4 C3 S2 125.2(6) . . ?
S1 C3 S2 113.7(4) . . ?
C3 C4 S3 122.3(6) . . ?
C3 C4 S4 124.7(6) . . ?
S3 C4 S4 113.0(4) . . ?
C6 C5 S3 115.6(6) . . ?
C6 C5 P3 123.6(6) . . ?
S3 C5 P3 120.7(5) . . ?
C5 C6 S4 117.3(6) . . ?
C5 C6 P4 123.1(6) . . ?
S4 C6 P4 119.6(4) . . ?
C15 C10 C11 119.7(7) . . ?
C15 C10 P1 118.9(6) . . ?
C11 C10 P1 121.3(6) . . ?
C21 C20 C25 119.4(7) . . ?
C21 C20 P1 119.1(5) . . ?
C25 C20 P1 121.3(6) . . ?
C22 C21 C20 120.6(7) . . ?
C31 C30 C35 119.5(7) . . ?
C31 C30 P2 118.9(6) . . ?
C35 C30 P2 121.4(6) . . ?
C65 C60 C61 118.1(7) . . ?
C65 C60 P3 124.0(6) . . ?
C61 C60 P3 117.6(6) . . ?
C71 C70 C75 117.9(8) . . ?
C71 C70 P4 125.3(6) . . ?
C75 C70 P4 116.8(7) . . ?
C70 C71 C72 122.1(9) . . ?
C32 C31 C30 120.4(7) . . ?
C51 C50 C55 119.2(10) . . ?
C51 C50 P3 125.2(7) . . ?
C55 C50 P3 115.6(9) . . ?
C31 C32 C33 120.0(8) . . ?
C34 C35 C30 118.2(8) . . ?
C63 C62 C61 120.5(9) . . ?
C40 C45 C44 120.1(8) . . ?
C42 C41 C40 119.9(8) . . ?
C24 C25 C20 120.1(7) . . ?
C34 C33 C32 119.4(9) . . ?
C45 C40 C41 119.1(7) . . ?
C45 C40 P2 123.8(6) . . ?
C41 C40 P2 117.1(5) . . ?
C12 C11 C10 120.1(9) . . ?
C10 C15 C14 121.0(8) . . ?
C62 C61 C60 119.9(8) . . ?
C74 C75 C70 121.0(10) . . ?
C25 C24 C23 120.7(7) . . ?
C21 C22 C23 119.8(8) . . ?
C13 C14 C15 118.5(10) . . ?
C82 C81 C80 120.8(8) . . ?
C85 C80 C81 117.9(7) . . ?
C85 C80 P4 118.1(6) . . ?
C81 C80 P4 123.9(6) . . ?
C22 C23 C24 119.4(8) . . ?
C43 C42 C41 119.8(9) . . ?
C43 C44 C45 119.9(9) . . ?
C81 C82 C83 119.6(8) . . ?
C73 C72 C71 118.6(10) . . ?
C74 C73 C72 121.1(9) . . ?
C83 C84 C85 119.8(9) . . ?
C84 C83 C82 120.1(8) . . ?
C44 C43 C42 121.0(9) . . ?
C14 C13 C12 121.7(10) . . ?
C33 C34 C35 122.5(8) . . ?
C11 C12 C13 119.0(9) . . ?
C80 C85 C84 121.7(8) . . ?
Cl2 C1S Cl1 112.3(7) . . ?
C50 C51 C52 120.6(12) . . ?
C64 C65 C60 120.7(8) . . ?
C73 C74 C75 119.3(9) . . ?
C62 C63 C64 120.0(9) . . ?
C54 C55 C50 120.5(15) . . ?
C52 C53 C54 122.8(16) . . ?
C65 C64 C63 120.7(9) . . ?
C53 C52 C51 117.6(16) . . ?
C53 C54 C55 119.3(17) . . ?
F2 B1 F1 111.0(11) . . ?
F2 B1 F4 110.9(9) . . ?
F1 B1 F4 111.1(10) . . ?
F2 B1 F3 107.5(10) . . ?
F1 B1 F3 108.6(9) . . ?
F4 B1 F3 107.5(10) . . ?
Cl4 C2S Cl3 116.2(8) . . ?
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
Pt1 P1 2.3355(18) 3_877 ?
Pt1 P1 2.3356(18) . ?
Pt1 P2 2.3392(17) 3_877 ?
Pt1 P2 2.3393(17) . ?
P1 C10 1.802(8) . ?
P1 C1 1.815(7) . ?
P1 C20 1.818(7) . ?
P2 C30 1.802(8) . ?
P2 C40 1.813(7) . ?
P2 C2 1.815(7) . ?
P3 C5 1.816(8) . ?
P3 C50 1.829(10) . ?
P3 C60 1.823(8) . ?
P4 C80 1.843(8) . ?
P4 C70 1.841(8) . ?
P4 C6 1.848(8) . ?
S1 C1 1.744(7) . ?
S1 C3 1.765(7) . ?
S2 C2 1.761(6) . ?
S2 C3 1.774(7) . ?
S3 C4 1.750(7) . ?
S3 C5 1.771(8) . ?
S4 C4 1.763(7) . ?
S4 C6 1.768(8) . ?
C1 C2 1.340(10) . ?
C3 C4 1.337(9) . ?
C5 C6 1.351(11) . ?
C10 C15 1.376(10) . ?
C10 C11 1.395(10) . ?
C20 C21 1.391(10) . ?
C20 C25 1.386(9) . ?
C21 C22 1.385(11) . ?
C30 C31 1.397(9) . ?
C30 C35 1.409(10) . ?
C60 C65 1.388(10) . ?
C60 C61 1.416(11) . ?
C70 C71 1.377(11) . ?
C70 C75 1.387(11) . ?
C71 C72 1.387(11) . ?
C31 C32 1.372(11) . ?
C50 C51 1.364(13) . ?
C50 C55 1.395(12) . ?
C32 C33 1.399(12) . ?
C35 C34 1.383(11) . ?
C62 C63 1.362(13) . ?
C62 C61 1.393(11) . ?
C45 C40 1.387(9) . ?
C45 C44 1.394(11) . ?
C41 C42 1.389(11) . ?
C41 C40 1.403(10) . ?
C25 C24 1.378(11) . ?
C33 C34 1.355(12) . ?
C11 C12 1.381(12) . ?
C15 C14 1.390(11) . ?
C75 C74 1.391(12) . ?
C24 C23 1.390(12) . ?
C22 C23 1.391(11) . ?
C14 C13 1.378(13) . ?
C81 C82 1.373(11) . ?
C81 C80 1.406(11) . ?
C80 C85 1.374(11) . ?
C42 C43 1.374(13) . ?
C44 C43 1.366(13) . ?
Cl2 C1S 1.726(14) . ?
Cl1 C1S 1.733(11) . ?
C82 C83 1.391(12) . ?
C72 C73 1.374(13) . ?
C73 C74 1.374(13) . ?
C84 C83 1.368(12) . ?
C84 C85 1.380(11) . ?
C13 C12 1.388(14) . ?
C51 C52 1.402(14) . ?
C65 C64 1.377(12) . ?
C63 C64 1.383(13) . ?
C55 C54 1.352(19) . ?
C53 C52 1.36(2) . ?
C53 C54 1.36(2) . ?
Cl4 C2S 1.655(14) . ?
Cl3 C2S 1.700(11) . ?
F4 B1 1.362(12) . ?
F3 B1 1.403(14) . ?
F2 B1 1.346(13) . ?
F1 B1 1.360(14) . ?
