#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:42:34 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179343 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/40/4324002.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_4324002
loop_
_publ_author_name
'José María Casas'
'Larry R. Falvello'
'Juan Forniés'
'Antonio Martín'
_publ_section_title
;
 Direct Ag-Pt2 Interactions in Pentafluorophenyl A-Frame Complexes
 Containing Halide or OH-and Bis(diphenylphosphino)methane (dppm) as
 Bridging Ligands. Crystal Structures of
 [(C6F5)2Pt(μ-OH)(μ-dppm){Ag(PPh3)}Pt(C6F5)2].C7H8 and
 [(C6F5)2Pt(μ-SC4H8)(μ-dppm)Pt(C6F5)2].1/2C6H14
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7867
_journal_page_last               7872
_journal_paper_doi               10.1021/ic9605332
_journal_volume                  35
_journal_year                    1996
_chemical_formula_sum            'C56 H37 F20 P2 Pt2 S'
_chemical_formula_weight         1574.04
_chemical_name_systematic
; 
 ? 
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 106.21(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.258(6)
_cell_length_b                   11.351(3)
_cell_length_c                   22.268(5)
_cell_measurement_temperature    293(2)
_cell_volume                     5402(3)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_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  0.0936
_diffrn_reflns_av_sigmaI/netI    0.0521
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            9782
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    5.379
_exptl_crystal_density_diffrn    1.935
_exptl_crystal_F_000             3020
_refine_diff_density_max         1.886
_refine_diff_density_min         -2.601
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.060
_refine_ls_goodness_of_fit_obs   1.117
_refine_ls_matrix_type           full
_refine_ls_number_parameters     722
_refine_ls_number_reflns         9525
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.073
_refine_ls_restrained_S_obs      1.118
_refine_ls_R_factor_all          0.0761
_refine_ls_R_factor_obs          0.0444
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0668P)²+4.9224P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1174
_refine_ls_wR_factor_obs         0.1030
_reflns_number_observed          6948
_reflns_number_total             9527
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9605332_2.cif
_cod_data_source_block           7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0668P)^2^+4.9224P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0668P)^2^+4.9224P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        5402.6(24)
_cod_database_code               4324002
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pt1 Pt 0.227331(15) 0.37913(3) -0.035764(15) 0.03084(10) Uani 1 d . .
Pt2 Pt 0.331923(14) 0.22447(3) 0.129222(14) 0.02933(10) Uani 1 d . .
P1 P 0.33287(10) 0.4012(2) -0.01978(10) 0.0300(5) Uani 1 d . .
P2 P 0.35515(10) 0.1515(2) 0.04234(10) 0.0299(5) Uani 1 d . .
S S 0.23988(10) 0.3136(2) 0.06739(10) 0.0326(5) Uani 1 d . .
F2 F 0.2273(3) 0.6418(4) -0.0824(2) 0.059(2) Uani 1 d . .
F3 F 0.2049(3) 0.7359(5) -0.1970(3) 0.066(2) Uani 1 d . .
F4 F 0.1765(3) 0.5973(5) -0.2997(3) 0.063(2) Uani 1 d . .
F5 F 0.1745(3) 0.3595(5) -0.2863(3) 0.063(2) Uani 1 d . .
F6 F 0.1977(3) 0.2623(5) -0.1725(3) 0.0516(14) Uani 1 d . .
F8 F 0.1253(3) 0.1704(6) -0.0864(3) 0.073(2) Uani 1 d . .
F9 F 0.0005(4) 0.1720(10) -0.1207(5) 0.130(4) Uani 1 d . .
F10 F -0.0642(3) 0.3666(10) -0.1076(5) 0.138(4) Uani 1 d . .
F11 F -0.0005(4) 0.5668(9) -0.0610(4) 0.121(3) Uani 1 d . .
F12 F 0.1248(3) 0.5694(6) -0.0284(3) 0.075(2) Uani 1 d . .
F14 F 0.3487(3) -0.0409(5) 0.1780(3) 0.063(2) Uani 1 d . .
F15 F 0.4448(4) -0.1492(6) 0.2581(3) 0.088(2) Uani 1 d . .
F16 F 0.5558(3) -0.0361(7) 0.3061(3) 0.089(2) Uani 1 d . .
F17 F 0.5662(3) 0.1932(7) 0.2772(3) 0.082(2) Uani 1 d . .
F18 F 0.4702(3) 0.3072(5) 0.2018(3) 0.064(2) Uani 1 d . .
F20 F 0.3664(3) 0.4697(5) 0.2006(3) 0.062(2) Uani 1 d . .
F21 F 0.3632(4) 0.5461(6) 0.3122(3) 0.082(2) Uani 1 d . .
F22 F 0.3151(4) 0.4098(7) 0.3867(3) 0.091(2) Uani 1 d . .
F23 F 0.2700(4) 0.1924(6) 0.3472(3) 0.100(3) Uani 1 d . .
F24 F 0.2740(3) 0.1119(5) 0.2354(3) 0.069(2) Uani 1 d . .
C1 C 0.2111(4) 0.4469(8) -0.1232(4) 0.037(2) Uani 1 d . .
C2 C 0.2132(4) 0.5683(8) -0.1318(4) 0.037(2) Uani 1 d . .
C3 C 0.2023(4) 0.6201(8) -0.1904(5) 0.045(2) Uani 1 d . .
C4 C 0.1886(4) 0.5483(9) -0.2422(4) 0.045(2) Uani 1 d . .
C5 C 0.1868(4) 0.4273(9) -0.2354(4) 0.042(2) Uani 1 d . .
C6 C 0.1987(4) 0.3798(8) -0.1760(5) 0.041(2) Uani 1 d . .
C7 C 0.1316(4) 0.3709(9) -0.0552(4) 0.041(2) Uani 1 d . .
C8 C 0.0966(5) 0.2737(11) -0.0792(5) 0.057(3) Uani 1 d . .
C9 C 0.0312(6) 0.2688(14) -0.0967(6) 0.082(4) Uani 1 d . .
C10 C -0.0003(6) 0.3692(18) -0.0891(7) 0.097(6) Uani 1 d . .
C11 C 0.0310(6) 0.4684(15) -0.0678(6) 0.080(4) Uani 1 d . .
C12 C 0.0956(5) 0.4662(11) -0.0506(5) 0.059(3) Uani 1 d . .
C13 C 0.4045(4) 0.1395(8) 0.1869(4) 0.036(2) Uani 1 d . .
C14 C 0.4014(5) 0.0223(9) 0.2035(4) 0.050(3) Uani 1 d . .
C15 C 0.4514(6) -0.0351(9) 0.2444(5) 0.059(3) Uani 1 d . .
C16 C 0.5056(5) 0.0218(11) 0.2674(5) 0.059(3) Uani 1 d . .
C17 C 0.5109(5) 0.1371(11) 0.2544(5) 0.057(3) Uani 1 d . .
C18 C 0.4615(4) 0.1937(9) 0.2147(4) 0.044(2) Uani 1 d . .
C19 C 0.3196(4) 0.2874(7) 0.2121(4) 0.035(2) Uani 1 d . .
C20 C 0.3423(4) 0.3957(8) 0.2351(4) 0.041(2) Uani 1 d . .
C21 C 0.3409(5) 0.4391(9) 0.2931(5) 0.053(3) Uani 1 d . .
C22 C 0.3169(6) 0.3715(10) 0.3305(5) 0.056(3) Uani 1 d . .
C23 C 0.2934(6) 0.2621(10) 0.3099(5) 0.061(3) Uani 1 d . .
C24 C 0.2960(4) 0.2214(8) 0.2516(4) 0.042(2) Uani 1 d . .
C25 C 0.3773(4) 0.2646(7) -0.0069(4) 0.033(2) Uani 1 d . .
H25A H 0.4212(4) 0.2846(7) 0.0119(4) 0.040 Uiso 1 d R .
H25B H 0.3744(4) 0.2291(7) -0.0476(4) 0.040 Uiso 1 d R .
C26 C 0.3687(4) 0.4976(7) 0.0456(4) 0.041(2) Uani 1 d . .
C27 C 0.4312(4) 0.4901(9) 0.0789(4) 0.048(2) Uani 1 d . .
H27A H 0.4569(4) 0.4316(9) 0.0691(4) 0.058 Uiso 1 d R .
C28 C 0.4561(6) 0.5705(10) 0.1258(5) 0.063(3) Uani 1 d . .
H28A H 0.4981(6) 0.5632(10) 0.1489(5) 0.076 Uiso 1 d R .
C29 C 0.4205(6) 0.6592(10) 0.1391(5) 0.064(3) Uani 1 d . .
H29A H 0.4384(6) 0.7113(10) 0.1718(5) 0.077 Uiso 1 d R .
C30 C 0.3587(6) 0.6690(9) 0.1048(5) 0.058(3) Uani 1 d . .
H30A H 0.3348(6) 0.7322(9) 0.1128(5) 0.069 Uiso 1 d R .
C31 C 0.3326(5) 0.5881(8) 0.0592(4) 0.043(2) Uani 1 d . .
H31A H 0.2903(5) 0.5940(8) 0.0367(4) 0.052 Uiso 1 d R .
C32 C 0.3571(4) 0.4644(7) -0.0855(4) 0.036(2) Uani 1 d . .
C33 C 0.3783(5) 0.5801(8) -0.0832(4) 0.048(2) Uani 1 d . .
H33A H 0.3844(5) 0.6247(8) -0.0466(4) 0.057 Uiso 1 d R .
C34 C 0.3906(5) 0.6288(9) -0.1371(6) 0.065(3) Uani 1 d . .
H34A H 0.4049(5) 0.7068(9) -0.1359(6) 0.077 Uiso 1 d R .
C35 C 0.3819(5) 0.5634(11) -0.1905(5) 0.063(3) Uani 1 d . .
H35A H 0.3912(5) 0.5956(11) -0.2256(5) 0.076 Uiso 1 d R .
C36 C 0.3611(5) 0.4508(10) -0.1912(5) 0.055(3) Uani 1 d . .
H36A H 0.3542(5) 0.4065(10) -0.2280(5) 0.066 Uiso 1 d R .
C37 C 0.3488(4) 0.4014(8) -0.1396(4) 0.040(2) Uani 1 d . .
H37A H 0.3346(4) 0.3232(8) -0.1412(4) 0.048 Uiso 1 d R .
C38 C 0.2925(4) 0.0664(7) -0.0087(4) 0.036(2) Uani 1 d . .
C39 C 0.2590(4) -0.0106(8) 0.0183(4) 0.047(2) Uani 1 d . .
H39A H 0.2672(4) -0.0132(8) 0.0619(4) 0.056 Uiso 1 d R .
C40 C 0.2142(5) -0.0838(9) -0.0171(5) 0.056(3) Uani 1 d . .
H40A H 0.1911(5) -0.1338(9) 0.0018(5) 0.067 Uiso 1 d R .
C41 C 0.2022(5) -0.0831(9) -0.0802(5) 0.056(3) Uani 1 d . .
H41A H 0.1728(5) -0.1359(9) -0.1043(5) 0.067 Uiso 1 d R .
C42 C 0.2334(5) -0.0058(10) -0.1083(4) 0.056(3) Uani 1 d . .
H42A H 0.2239(5) -0.0046(10) -0.1520(4) 0.067 Uiso 1 d R .
C43 C 0.2792(5) 0.0678(9) -0.0732(4) 0.047(2) Uani 1 d . .
H43A H 0.3006(5) 0.1197(9) -0.0930(4) 0.056 Uiso 1 d R .
C44 C 0.4239(4) 0.0555(7) 0.0575(4) 0.036(2) Uani 1 d . .
C45 C 0.4191(5) -0.0638(8) 0.0425(5) 0.048(2) Uani 1 d . .
H45A H 0.3799(5) -0.0961(8) 0.0222(5) 0.057 Uiso 1 d R .
C46 C 0.4710(5) -0.1335(9) 0.0575(5) 0.056(3) Uani 1 d . .
H46A H 0.4679(5) -0.2126(9) 0.0444(5) 0.067 Uiso 1 d R .
C47 C 0.5283(6) -0.0877(10) 0.0914(5) 0.064(3) Uani 1 d . .
H47A H 0.5629(6) -0.1379(10) 0.1052(5) 0.077 Uiso 1 d R .
C48 C 0.5336(5) 0.0302(10) 0.1046(5) 0.053(3) Uani 1 d . .
H48A H 0.5727(5) 0.0629(10) 0.1245(5) 0.063 Uiso 1 d R .
C49 C 0.4817(4) 0.1000(8) 0.0888(4) 0.043(2) Uani 1 d . .
H49A H 0.4850(4) 0.1804(8) 0.0993(4) 0.051 Uiso 1 d R .
C50 C 0.1773(4) 0.2124(9) 0.0746(5) 0.051(3) Uani 1 d . .
H50A H 0.1572(4) 0.1770(9) 0.0341(5) 0.061 Uiso 1 d R .
H50B H 0.1937(4) 0.1492(9) 0.1046(5) 0.061 Uiso 1 d R .
C51 C 0.1304(5) 0.2883(11) 0.0955(5) 0.062(3) Uani 1 d . .
H51A H 0.1070(5) 0.2399(11) 0.1176(5) 0.074 Uiso 1 d R .
H51B H 0.1007(5) 0.3253(11) 0.0598(5) 0.074 Uiso 1 d R .
C52 C 0.1684(5) 0.3820(10) 0.1391(5) 0.065(3) Uani 1 d . .
H52A H 0.1403(5) 0.4429(10) 0.1468(5) 0.078 Uiso 1 d R .
H52B H 0.1905(5) 0.3465(10) 0.1790(5) 0.078 Uiso 1 d R .
C53 C 0.2135(5) 0.4365(8) 0.1071(5) 0.048(2) Uani 1 d . .
H53A H 0.2488(5) 0.4709(8) 0.1386(5) 0.057 Uiso 1 d R .
H53B H 0.1936(5) 0.4983(8) 0.0777(5) 0.057 Uiso 1 d R .
C54 C -0.0601(17) 0.1672(33) 0.2103(16) 0.153(7) Uiso 0.50 d PD .
H54A H -0.0927(17) 0.1493(33) 0.2294(16) 0.230 Uiso 0.50 d PR .
H54B H -0.0761(17) 0.2192(33) 0.1755(16) 0.230 Uiso 0.50 d PR .
H54C H -0.0259(17) 0.2046(33) 0.2403(16) 0.230 Uiso 0.50 d PR .
C55 C -0.0377(17) 0.0546(25) 0.1874(15) 0.153(7) Uiso 0.50 d PD .
H55A H -0.0727(17) 0.0010(25) 0.1728(15) 0.184 Uiso 0.50 calc PR .
H55B H -0.0070(17) 0.0169(25) 0.2217(15) 0.184 Uiso 0.50 calc PR .
C56 C -0.0084(15) 0.0797(31) 0.1343(11) 0.153(7) Uiso 0.50 d PD .
H56A H 0.0358(15) 0.0962(31) 0.1518(11) 0.184 Uiso 0.50 calc PR .
H56B H -0.0123(15) 0.0103(31) 0.1081(11) 0.184 Uiso 0.50 calc PR .
C57 C -0.0394(18) 0.1830(22) 0.0949(13) 0.153(7) Uiso 0.50 d PD .
H57A H -0.0171(18) 0.2549(22) 0.1110(13) 0.184 Uiso 0.50 calc PR .
H57B H -0.0821(18) 0.1909(22) 0.0973(13) 0.184 Uiso 0.50 calc PR .
C58 C -0.0395(19) 0.1653(27) 0.0268(11) 0.153(7) Uiso 0.50 d PD .
H58A H -0.0811(19) 0.1807(27) -0.0004(11) 0.184 Uiso 0.50 calc PR .
H58B H -0.0109(19) 0.2208(27) 0.0164(11) 0.184 Uiso 0.50 calc PR .
C59 C -0.0201(19) 0.0400(30) 0.0158(15) 0.153(7) Uiso 0.50 d PD .
H59A H -0.0210(19) 0.0295(30) -0.0272(15) 0.230 Uiso 0.50 d PR .
H59B H 0.0222(19) 0.0318(30) 0.0417(15) 0.230 Uiso 0.50 d PR .
H59C H -0.0460(19) -0.0184(30) 0.0274(15) 0.230 Uiso 0.50 d PR .
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'
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'
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
C1 Pt1 C7 85.3(3) . . ?
C1 Pt1 P1 90.4(2) . . ?
C7 Pt1 P1 175.2(2) . . ?
C1 Pt1 S 174.8(2) . . ?
C7 Pt1 S 91.4(2) . . ?
P1 Pt1 S 92.62(8) . . ?
C13 Pt2 C19 83.0(3) . . ?
C13 Pt2 P2 92.0(2) . . ?
C19 Pt2 P2 174.6(2) . . ?
C13 Pt2 S 173.8(3) . . ?
C19 Pt2 S 93.6(2) . . ?
P2 Pt2 S 91.51(8) . . ?
C26 P1 C25 106.8(4) . . ?
C26 P1 C32 104.0(4) . . ?
C25 P1 C32 101.0(4) . . ?
C26 P1 Pt1 113.1(3) . . ?
C25 P1 Pt1 114.8(3) . . ?
C32 P1 Pt1 115.8(3) . . ?
C38 P2 C44 104.8(4) . . ?
C38 P2 C25 106.5(4) . . ?
C44 P2 C25 100.1(4) . . ?
C38 P2 Pt2 114.0(3) . . ?
C44 P2 Pt2 115.7(3) . . ?
C25 P2 Pt2 114.3(3) . . ?
C53 S C50 94.6(5) . . ?
C53 S Pt2 112.9(3) . . ?
C50 S Pt2 103.6(3) . . ?
C53 S Pt1 105.3(3) . . ?
C50 S Pt1 113.2(3) . . ?
Pt2 S Pt1 123.56(9) . . ?
C6 C1 C2 116.2(8) . . ?
C6 C1 Pt1 123.6(7) . . ?
C2 C1 Pt1 120.2(7) . . ?
F2 C2 C3 116.3(8) . . ?
F2 C2 C1 120.7(8) . . ?
C3 C2 C1 123.0(8) . . ?
F3 C3 C4 120.0(9) . . ?
F3 C3 C2 121.6(9) . . ?
C4 C3 C2 118.4(9) . . ?
F4 C4 C3 119.3(9) . . ?
F4 C4 C5 120.5(9) . . ?
C3 C4 C5 120.2(9) . . ?
F5 C5 C4 119.0(9) . . ?
F5 C5 C6 121.8(9) . . ?
C4 C5 C6 119.2(8) . . ?
F6 C6 C1 120.8(8) . . ?
F6 C6 C5 116.2(8) . . ?
C1 C6 C5 123.0(9) . . ?
C12 C7 C8 112.6(10) . . ?
C12 C7 Pt1 122.9(8) . . ?
C8 C7 Pt1 124.2(7) . . ?
F8 C8 C7 120.2(9) . . ?
F8 C8 C9 114.7(12) . . ?
C7 C8 C9 125.1(12) . . ?
F9 C9 C10 121.1(13) . . ?
F9 C9 C8 121.6(14) . . ?
C10 C9 C8 117.4(14) . . ?
C11 C10 F10 121.3(16) . . ?
C11 C10 C9 120.7(12) . . ?
F10 C10 C9 117.9(17) . . ?
C10 C11 F11 120.0(13) . . ?
C10 C11 C12 118.7(13) . . ?
F11 C11 C12 121.2(15) . . ?
F12 C12 C7 118.5(9) . . ?
F12 C12 C11 116.0(11) . . ?
C7 C12 C11 125.5(13) . . ?
C14 C13 C18 114.4(8) . . ?
C14 C13 Pt2 122.6(7) . . ?
C18 C13 Pt2 122.9(7) . . ?
F14 C14 C13 119.8(8) . . ?
F14 C14 C15 117.9(9) . . ?
C13 C14 C15 122.3(10) . . ?
C16 C15 F15 121.5(10) . . ?
C16 C15 C14 119.7(10) . . ?
F15 C15 C14 118.8(11) . . ?
C15 C16 C17 120.6(10) . . ?
C15 C16 F16 119.8(11) . . ?
C17 C16 F16 119.6(11) . . ?
F17 C17 C16 120.0(10) . . ?
F17 C17 C18 120.4(11) . . ?
C16 C17 C18 119.4(10) . . ?
F18 C18 C17 116.7(9) . . ?
F18 C18 C13 119.8(8) . . ?
C17 C18 C13 123.4(10) . . ?
C24 C19 C20 114.6(8) . . ?
C24 C19 Pt2 123.8(7) . . ?
C20 C19 Pt2 121.1(6) . . ?
F20 C20 C19 120.6(8) . . ?
F20 C20 C21 115.1(8) . . ?
C19 C20 C21 124.3(9) . . ?
F21 C21 C22 119.9(9) . . ?
F21 C21 C20 121.0(10) . . ?
C22 C21 C20 119.2(10) . . ?
F22 C22 C21 120.9(10) . . ?
F22 C22 C23 119.8(10) . . ?
C21 C22 C23 119.2(9) . . ?
F23 C23 C22 120.0(10) . . ?
F23 C23 C24 120.1(11) . . ?
C22 C23 C24 119.9(9) . . ?
F24 C24 C19 120.6(8) . . ?
F24 C24 C23 116.7(9) . . ?
C19 C24 C23 122.7(9) . . ?
P1 C25 P2 117.7(4) . . ?
C27 C26 C31 119.0(9) . . ?
C27 C26 P1 122.8(7) . . ?
C31 C26 P1 118.0(7) . . ?
C28 C27 C26 119.6(10) . . ?
C29 C28 C27 121.2(11) . . ?
C28 C29 C30 119.3(10) . . ?
C31 C30 C29 120.5(10) . . ?
C30 C31 C26 120.4(10) . . ?
C37 C32 C33 119.1(8) . . ?
C37 C32 P1 119.9(6) . . ?
C33 C32 P1 120.7(7) . . ?
C32 C33 C34 118.8(10) . . ?
C35 C34 C33 120.7(10) . . ?
C36 C35 C34 119.1(10) . . ?
C35 C36 C37 121.4(10) . . ?
C32 C37 C36 120.9(9) . . ?
C43 C38 C39 118.1(8) . . ?
C43 C38 P2 123.4(7) . . ?
C39 C38 P2 118.4(7) . . ?
C40 C39 C38 121.7(9) . . ?
C41 C40 C39 119.7(10) . . ?
C40 C41 C42 119.8(10) . . ?
C41 C42 C43 121.1(9) . . ?
C42 C43 C38 119.5(9) . . ?
C49 C44 C45 118.5(8) . . ?
C49 C44 P2 119.3(6) . . ?
C45 C44 P2 122.0(7) . . ?
C46 C45 C44 120.2(10) . . ?
C45 C46 C47 120.2(10) . . ?
C48 C47 C46 119.6(10) . . ?
C49 C48 C47 119.8(11) . . ?
C48 C49 C44 121.5(9) . . ?
C51 C50 S 105.8(7) . . ?
C50 C51 C52 106.4(8) . . ?
C53 C52 C51 107.9(9) . . ?
C52 C53 S 105.0(7) . . ?
C54 C55 C56 110.8(10) . . ?
C57 C56 C55 111.7(10) . . ?
C56 C57 C58 110.4(9) . . ?
C59 C58 C57 111.1(9) . . ?
C58 C59 C59 146.3(44) . 3 ?
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 C1 2.030(8) . ?
Pt1 C7 2.054(9) . ?
Pt1 P1 2.289(2) . ?
Pt1 S 2.356(2) . ?
Pt2 C13 2.008(8) . ?
Pt2 C19 2.067(8) . ?
Pt2 P2 2.292(2) . ?
Pt2 S 2.354(2) . ?
P1 C26 1.818(9) . ?
P1 C25 1.818(8) . ?
P1 C32 1.841(9) . ?
P2 C38 1.812(9) . ?
P2 C44 1.831(8) . ?
P2 C25 1.842(8) . ?
S C53 1.834(9) . ?
S C50 1.846(9) . ?
F2 C2 1.346(10) . ?
F3 C3 1.325(10) . ?
F4 C4 1.352(10) . ?
F5 C5 1.334(10) . ?
F6 C6 1.337(10) . ?
F8 C8 1.365(13) . ?
F9 C9 1.32(2) . ?
F10 C10 1.367(14) . ?
F11 C11 1.349(15) . ?
F12 C12 1.364(14) . ?
F14 C14 1.358(11) . ?
F15 C15 1.348(12) . ?
F16 C16 1.373(11) . ?
F17 C17 1.352(12) . ?
F18 C18 1.346(11) . ?
F20 C20 1.347(10) . ?
F21 C21 1.335(11) . ?
F22 C22 1.337(11) . ?
F23 C23 1.353(11) . ?
F24 C24 1.348(10) . ?
C1 C6 1.363(12) . ?
C1 C2 1.393(12) . ?
C2 C3 1.388(12) . ?
C3 C4 1.376(13) . ?
C4 C5 1.384(13) . ?
C5 C6 1.384(13) . ?
C7 C12 1.367(14) . ?
C7 C8 1.370(14) . ?
C8 C9 1.40(2) . ?
C9 C10 1.37(2) . ?
C10 C11 1.34(2) . ?
C11 C12 1.38(2) . ?
C13 C14 1.388(13) . ?
C13 C18 1.389(13) . ?
C14 C15 1.389(13) . ?
C15 C16 1.34(2) . ?
C16 C17 1.35(2) . ?
C17 C18 1.365(13) . ?
C19 C24 1.369(12) . ?
C19 C20 1.373(12) . ?
C20 C21 1.390(13) . ?
C21 C22 1.348(14) . ?
C22 C23 1.37(2) . ?
C23 C24 1.394(14) . ?
C26 C27 1.386(12) . ?
C26 C31 1.389(12) . ?
C27 C28 1.381(14) . ?
C28 C29 1.36(2) . ?
C29 C30 1.38(2) . ?
C30 C31 1.371(13) . ?
C32 C37 1.368(12) . ?
C32 C33 1.392(12) . ?
C33 C34 1.414(14) . ?
C34 C35 1.37(2) . ?
C35 C36 1.358(15) . ?
C36 C37 1.375(12) . ?
C38 C43 1.384(12) . ?
C38 C39 1.391(12) . ?
C39 C40 1.367(13) . ?
C40 C41 1.357(14) . ?
C41 C42 1.374(14) . ?
C42 C43 1.379(13) . ?
C44 C49 1.377(13) . ?
C44 C45 1.391(12) . ?
C45 C46 1.364(13) . ?
C46 C47 1.39(2) . ?
C47 C48 1.368(15) . ?
C48 C49 1.363(12) . ?
C50 C51 1.522(14) . ?
C51 C52 1.53(2) . ?
C52 C53 1.514(14) . ?
C54 C55 1.511(10) . ?
C55 C56 1.528(10) . ?
C56 C57 1.512(10) . ?
C57 C58 1.529(10) . ?
C58 C59 1.526(10) . ?
C59 C59 1.57(5) 3 ?
