#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/19/4071907.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_4071907
loop_
_publ_author_name
'Kuniyasu, Hitoshi'
'Takekawa, Kazunobu'
'Yamashita, Fumikazu'
'Miyafuji, Kiyoshi'
'Asano, Shigehito'
'Takai, Yasutomo'
'Ohtaka, Atsushi'
'Tanaka, Aoi'
'Sugoh, Kunihiko'
'Kurosawa, Hideo'
'Kambe, Nobuaki'
_publ_section_title
;
 Insertion of Alkynes into an ArS−Pt Bond: Regio- and
 Stereoselective Thermal Reactions, Facilitation by “o-Halogen
 Effect” and Photoirradiation, Different Alkyne Preferences
 Depending on the Ancillary Ligand, and Application to a Catalytic
 Reaction
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4788
_journal_paper_doi               10.1021/om800464y
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C46 H44 O6 P2 Pt S '
_chemical_formula_sum            'C46 H44 O6 P2 Pt S'
_chemical_formula_weight         981.95
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.219(4)
_cell_angle_beta                 114.082(5)
_cell_angle_gamma                107.153(3)
_cell_formula_units_Z            2
_cell_length_a                   12.631(1)
_cell_length_b                   17.188(2)
_cell_length_c                   11.455(1)
_cell_measurement_reflns_used    11619
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.0
_cell_volume                     2147.4(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 8.00
_diffrn_measured_fraction_theta_full 0.9876
_diffrn_measured_fraction_theta_max 0.9876
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            20066
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    3.424
_exptl_absorpt_correction_T_max  0.504
_exptl_absorpt_correction_T_min  0.291
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.56
_refine_diff_density_min         -1.21
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     505
_refine_ls_number_reflns         8391
_refine_ls_R_factor_gt           0.0279
_refine_ls_shift/su_max          0.0378
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00063|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0381
_reflns_number_gt                8391
_reflns_number_total             9698
_reflns_threshold_expression     F²>3.0σ(F²)
_cod_data_source_file            om800464y_si_005.cif
_cod_data_source_block           takai
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C46 H44 O6 P2 Pt S '
_cod_database_code               4071907
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
Pt(1) Pt 0.08283(1) 0.268812(7) 0.39411(1) 0.03134(4) Uani 1.00 d
S(1) S -0.02059(10) 0.09098(6) 0.1966(1) 0.0517(3) Uani 1.00 d
P(1) P 0.26530(8) 0.30997(6) 0.57323(9) 0.0357(2) Uani 1.00 d
P(2) P 0.00681(8) 0.20211(6) 0.53029(9) 0.0354(2) Uani 1.00 d
O(1) O -0.4030(4) -0.2310(2) -0.0491(5) 0.084(1) Uani 1.00 d
O(2) O 0.3195(3) 0.4983(2) 0.0812(3) 0.066(1) Uani 1.00 d
O(3) O -0.1919(3) 0.3116(2) 0.2309(3) 0.0599(10) Uani 1.00 d
O(4) O -0.1164(3) 0.3274(2) 0.0835(3) 0.0582(10) Uani 1.00 d
O(5) O -0.3011(4) 0.1558(3) -0.0172(4) 0.087(1) Uani 1.00 d
O(6) O -0.1794(3) 0.1080(2) -0.0725(3) 0.0655(10) Uani 1.00 d
C(1) C -0.0719(3) 0.2292(2) 0.2232(3) 0.0367(8) Uani 1.00 d
C(2) C -0.1061(3) 0.1602(2) 0.1464(4) 0.0411(9) Uani 1.00 d
C(3) C -0.1360(3) 0.2917(2) 0.1794(4) 0.0404(9) Uani 1.00 d
C(4) C -0.1686(7) 0.3919(4) 0.0433(6) 0.084(2) Uani 1.00 d
C(5) C -0.2071(4) 0.1409(3) 0.0116(4) 0.051(1) Uani 1.00 d
C(6) C -0.2750(8) 0.0811(5) -0.2013(5) 0.107(2) Uani 1.00 d
C(7) C -0.1374(4) -0.0061(2) 0.1267(4) 0.044(1) Uani 1.00 d
C(8) C -0.2479(4) -0.0236(3) 0.1331(5) 0.058(1) Uani 1.00 d
C(9) C -0.3403(4) -0.0973(3) 0.0738(5) 0.058(1) Uani 1.00 d
C(10) C -0.3195(4) -0.1547(3) 0.0091(4) 0.055(1) Uani 1.00 d
C(11) C -0.2080(5) -0.1382(3) 0.0052(5) 0.059(1) Uani 1.00 d
C(12) C -0.1166(4) -0.0643(2) 0.0617(4) 0.052(1) Uani 1.00 d
C(13) C -0.5219(6) -0.2477(4) -0.0572(7) 0.100(2) Uani 1.00 d
C(14) C 0.1602(3) 0.3418(2) 0.2876(3) 0.0362(9) Uani 1.00 d
C(15) C 0.1745(4) 0.3099(2) 0.1856(4) 0.048(1) Uani 1.00 d
C(16) C 0.2267(4) 0.3593(3) 0.1132(4) 0.051(1) Uani 1.00 d
C(17) C 0.2633(4) 0.4428(3) 0.1420(4) 0.045(1) Uani 1.00 d
C(18) C 0.2453(4) 0.4771(2) 0.2398(4) 0.046(1) Uani 1.00 d
C(19) C 0.1965(4) 0.4271(2) 0.3117(4) 0.0407(9) Uani 1.00 d
C(20) C 0.3420(7) 0.4654(5) -0.0137(8) 0.106(3) Uani 1.00 d
C(21) C 0.2433(3) 0.2626(3) 0.7105(4) 0.045(1) Uani 1.00 d
C(22) C 0.1367(4) 0.1812(2) 0.6595(4) 0.044(1) Uani 1.00 d
C(23) C 0.3271(3) 0.4205(2) 0.6245(3) 0.0389(9) Uani 1.00 d
C(24) C 0.4320(4) 0.4697(3) 0.6173(4) 0.049(1) Uani 1.00 d
C(25) C 0.4640(5) 0.5545(3) 0.6389(5) 0.063(1) Uani 1.00 d
C(26) C 0.3934(6) 0.5907(3) 0.6664(5) 0.066(1) Uani 1.00 d
C(27) C 0.2881(6) 0.5425(3) 0.6753(5) 0.067(2) Uani 1.00 d
C(28) C 0.2537(4) 0.4570(3) 0.6539(4) 0.053(1) Uani 1.00 d
C(29) C 0.3891(3) 0.2793(2) 0.5663(4) 0.044(1) Uani 1.00 d
C(30) C 0.4999(4) 0.2946(3) 0.6737(5) 0.061(1) Uani 1.00 d
C(31) C 0.5937(5) 0.2694(4) 0.6676(7) 0.077(2) Uani 1.00 d
C(32) C 0.5754(5) 0.2306(4) 0.5519(8) 0.080(2) Uani 1.00 d
C(33) C 0.4672(6) 0.2147(3) 0.4454(6) 0.075(2) Uani 1.00 d
C(34) C 0.3716(4) 0.2384(3) 0.4509(5) 0.052(1) Uani 1.00 d
C(35) C -0.0316(3) 0.2707(2) 0.6172(4) 0.0391(9) Uani 1.00 d
C(36) C -0.0633(4) 0.3370(3) 0.5631(4) 0.056(1) Uani 1.00 d
C(37) C -0.0844(6) 0.3932(3) 0.6306(6) 0.073(2) Uani 1.00 d
C(38) C -0.0752(5) 0.3814(4) 0.7539(5) 0.071(2) Uani 1.00 d
C(39) C -0.0471(5) 0.3157(4) 0.8066(5) 0.067(2) Uani 1.00 d
C(40) C -0.0282(4) 0.2584(3) 0.7387(4) 0.055(1) Uani 1.00 d
C(41) C -0.1248(4) 0.1104(2) 0.4846(4) 0.045(1) Uani 1.00 d
C(42) C -0.2378(4) 0.1151(3) 0.3985(5) 0.062(1) Uani 1.00 d
C(43) C -0.3435(5) 0.0478(4) 0.3666(6) 0.081(2) Uani 1.00 d
C(44) C -0.3349(6) -0.0242(4) 0.4206(7) 0.085(2) Uani 1.00 d
C(45) C -0.2244(6) -0.0285(3) 0.5022(6) 0.078(2) Uani 1.00 d
C(46) C -0.1171(5) 0.0374(3) 0.5364(5) 0.059(1) Uani 1.00 d
H(1) H -0.1348 0.4361 0.1160 0.0977 Uiso 1.00 calc
H(2) H -0.1532 0.4157 -0.0244 0.0977 Uiso 1.00 calc
H(3) H -0.2561 0.3726 0.0173 0.0977 Uiso 1.00 calc
H(4) H -0.3459 0.0392 -0.2024 0.1206 Uiso 1.00 calc
H(5) H -0.3020 0.1258 -0.2391 0.1206 Uiso 1.00 calc
H(6) H -0.2488 0.0585 -0.2575 0.1206 Uiso 1.00 calc
H(7) H -0.2604 0.0162 0.1808 0.0667 Uiso 1.00 calc
H(8) H -0.4188 -0.1083 0.0751 0.0687 Uiso 1.00 calc
H(9) H -0.1928 -0.1793 -0.0376 0.0697 Uiso 1.00 calc
H(10) H -0.0376 -0.0528 0.0593 0.0620 Uiso 1.00 calc
H(11) H -0.5595 -0.2102 -0.1040 0.1160 Uiso 1.00 calc
H(12) H -0.5189 -0.2429 0.0279 0.1160 Uiso 1.00 calc
H(13) H -0.5722 -0.3026 -0.0992 0.1160 Uiso 1.00 calc
H(14) H 0.1471 0.2507 0.1627 0.0546 Uiso 1.00 calc
H(15) H 0.2377 0.3350 0.0444 0.0582 Uiso 1.00 calc
H(16) H 0.2678 0.5360 0.2577 0.0531 Uiso 1.00 calc
H(17) H 0.1873 0.4521 0.3803 0.0471 Uiso 1.00 calc
H(18) H 0.2661 0.4299 -0.0833 0.1199 Uiso 1.00 calc
H(19) H 0.3935 0.4314 0.0197 0.1199 Uiso 1.00 calc
H(20) H 0.3804 0.5066 -0.0525 0.1199 Uiso 1.00 calc
H(21) H 0.2243 0.2997 0.7574 0.0549 Uiso 1.00 calc
H(22) H 0.3165 0.2539 0.7692 0.0549 Uiso 1.00 calc
H(23) H 0.1144 0.1606 0.7273 0.0529 Uiso 1.00 calc
H(24) H 0.1597 0.1409 0.6271 0.0529 Uiso 1.00 calc
H(25) H 0.4830 0.4448 0.5980 0.0591 Uiso 1.00 calc
H(26) H 0.5380 0.5892 0.6356 0.0760 Uiso 1.00 calc
H(27) H 0.4149 0.6493 0.6806 0.0784 Uiso 1.00 calc
H(28) H 0.2381 0.5680 0.6960 0.0784 Uiso 1.00 calc
H(29) H 0.1802 0.4232 0.6602 0.0643 Uiso 1.00 calc
H(30) H 0.5131 0.3227 0.7540 0.0738 Uiso 1.00 calc
H(31) H 0.6701 0.2792 0.7418 0.0921 Uiso 1.00 calc
H(32) H 0.6402 0.2139 0.5464 0.0950 Uiso 1.00 calc
H(33) H 0.4549 0.1861 0.3657 0.0860 Uiso 1.00 calc
H(34) H 0.2958 0.2273 0.3748 0.0627 Uiso 1.00 calc
H(35) H -0.0707 0.3445 0.4768 0.0669 Uiso 1.00 calc
H(36) H -0.1057 0.4396 0.5929 0.0868 Uiso 1.00 calc
H(37) H -0.0866 0.4220 0.8013 0.0825 Uiso 1.00 calc
H(38) H -0.0429 0.3074 0.8916 0.0807 Uiso 1.00 calc
H(39) H -0.0130 0.2097 0.7743 0.0686 Uiso 1.00 calc
H(40) H -0.2434 0.1649 0.3616 0.0735 Uiso 1.00 calc
H(41) H -0.4227 0.0510 0.3075 0.0986 Uiso 1.00 calc
H(42) H -0.4081 -0.0705 0.4001 0.0986 Uiso 1.00 calc
H(43) H -0.2184 -0.0788 0.5394 0.0896 Uiso 1.00 calc
H(44) H -0.0379 0.0339 0.5959 0.0703 Uiso 1.00 calc
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
S S 0.125 0.123
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
P P 0.102 0.094
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Pt Pt -1.703 8.390
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
P(1) Pt(1) P(2) 84.53(3) yes
P(1) Pt(1) C(1) 174.2(1) yes
P(1) Pt(1) C(14) 91.2(1) yes
P(2) Pt(1) C(1) 99.5(1) yes
P(2) Pt(1) C(14) 173.0(1) yes
C(1) Pt(1) C(14) 85.1(1) yes
C(2) S(1) C(7) 101.7(2) yes
Pt(1) P(1) C(21) 109.0(1) yes
Pt(1) P(1) C(23) 113.8(1) yes
Pt(1) P(1) C(29) 116.8(1) yes
C(21) P(1) C(23) 106.2(2) yes
C(21) P(1) C(29) 103.8(2) yes
C(23) P(1) C(29) 106.3(2) yes
Pt(1) P(2) C(22) 105.7(1) yes
Pt(1) P(2) C(35) 111.5(1) yes
Pt(1) P(2) C(41) 126.1(1) yes
C(22) P(2) C(35) 102.8(2) yes
C(22) P(2) C(41) 107.3(2) yes
C(35) P(2) C(41) 101.2(2) yes
C(10) O(1) C(13) 117.9(4) yes
C(17) O(2) C(20) 116.6(4) yes
C(3) O(4) C(4) 115.1(4) yes
C(5) O(6) C(6) 116.2(5) yes
Pt(1) C(1) C(2) 124.8(3) yes
Pt(1) C(1) C(3) 114.0(2) yes
C(2) C(1) C(3) 120.5(3) yes
S(1) C(2) C(1) 119.3(3) yes
S(1) C(2) C(5) 117.6(3) yes
C(1) C(2) C(5) 122.8(3) yes
O(3) C(3) O(4) 123.6(4) yes
O(3) C(3) C(1) 123.6(4) yes
O(4) C(3) C(1) 112.6(3) yes
O(5) C(5) O(6) 123.7(4) yes
O(5) C(5) C(2) 123.7(4) yes
O(6) C(5) C(2) 112.6(4) yes
S(1) C(7) C(8) 121.4(3) yes
S(1) C(7) C(12) 119.0(3) yes
C(8) C(7) C(12) 119.6(4) yes
C(7) C(8) C(9) 121.3(4) yes
C(8) C(9) C(10) 118.9(4) yes
O(1) C(10) C(9) 123.8(4) yes
O(1) C(10) C(11) 116.2(4) yes
C(9) C(10) C(11) 119.9(4) yes
C(10) C(11) C(12) 121.4(4) yes
C(7) C(12) C(11) 118.8(4) yes
Pt(1) C(14) C(15) 123.0(3) yes
Pt(1) C(14) C(19) 121.0(3) yes
C(15) C(14) C(19) 115.9(3) yes
C(14) C(15) C(16) 123.1(4) yes
C(15) C(16) C(17) 118.9(4) yes
O(2) C(17) C(16) 124.7(4) yes
O(2) C(17) C(18) 115.7(4) yes
C(16) C(17) C(18) 119.6(3) yes
C(17) C(18) C(19) 120.2(4) yes
C(14) C(19) C(18) 122.1(4) yes
P(1) C(21) C(22) 109.8(3) yes
P(2) C(22) C(21) 107.0(3) yes
P(1) C(23) C(24) 122.9(3) yes
P(1) C(23) C(28) 116.9(3) yes
C(24) C(23) C(28) 119.5(4) yes
C(23) C(24) C(25) 120.1(4) yes
C(24) C(25) C(26) 121.1(5) yes
C(25) C(26) C(27) 119.9(4) yes
C(26) C(27) C(28) 120.1(5) yes
C(23) C(28) C(27) 119.3(4) yes
P(1) C(29) C(30) 121.3(3) yes
P(1) C(29) C(34) 119.5(3) yes
C(30) C(29) C(34) 119.2(4) yes
C(29) C(30) C(31) 120.7(5) yes
C(30) C(31) C(32) 119.2(5) yes
C(31) C(32) C(33) 121.1(5) yes
C(32) C(33) C(34) 120.3(5) yes
C(29) C(34) C(33) 119.6(5) yes
P(2) C(35) C(36) 119.9(3) yes
P(2) C(35) C(40) 121.2(3) yes
C(36) C(35) C(40) 118.8(4) yes
C(35) C(36) C(37) 121.1(4) yes
C(36) C(37) C(38) 118.9(5) yes
C(37) C(38) C(39) 120.5(4) yes
C(38) C(39) C(40) 120.9(4) yes
C(35) C(40) C(39) 119.6(4) yes
P(2) C(41) C(42) 117.5(3) yes
P(2) C(41) C(46) 122.5(4) yes
C(42) C(41) C(46) 120.0(4) yes
C(41) C(42) C(43) 119.8(5) yes
C(42) C(43) C(44) 119.6(6) yes
C(43) C(44) C(45) 120.0(5) yes
C(44) C(45) C(46) 121.9(5) yes
C(41) C(46) C(45) 118.6(5) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Pt(1) P(1) 2.2783(9) yes
Pt(1) P(2) 2.2928(9) yes
Pt(1) C(1) 2.049(4) yes
Pt(1) C(14) 2.069(3) yes
S(1) C(2) 1.781(4) yes
S(1) C(7) 1.782(4) yes
P(1) C(21) 1.856(4) yes
P(1) C(23) 1.818(4) yes
P(1) C(29) 1.821(4) yes
P(2) C(22) 1.839(4) yes
P(2) C(35) 1.828(4) yes
P(2) C(41) 1.806(4) yes
O(1) C(10) 1.371(5) yes
O(1) C(13) 1.406(8) yes
O(2) C(17) 1.381(4) yes
O(2) C(20) 1.387(8) yes
O(3) C(3) 1.201(5) yes
O(4) C(3) 1.335(5) yes
O(4) C(4) 1.437(6) yes
O(5) C(5) 1.201(5) yes
O(6) C(5) 1.326(5) yes
O(6) C(6) 1.435(6) yes
C(1) C(2) 1.321(5) yes
C(1) C(3) 1.500(5) yes
C(2) C(5) 1.504(5) yes
C(7) C(8) 1.372(6) yes
C(7) C(12) 1.391(5) yes
C(8) C(9) 1.380(6) yes
C(9) C(10) 1.378(6) yes
C(10) C(11) 1.372(7) yes
C(11) C(12) 1.372(6) yes
C(14) C(15) 1.387(5) yes
C(14) C(19) 1.390(5) yes
C(15) C(16) 1.402(6) yes
C(16) C(17) 1.366(6) yes
C(17) C(18) 1.390(6) yes
C(18) C(19) 1.380(5) yes
C(21) C(22) 1.534(6) yes
C(23) C(24) 1.381(6) yes
C(23) C(28) 1.401(6) yes
C(24) C(25) 1.384(6) yes
C(25) C(26) 1.355(8) yes
C(26) C(27) 1.388(8) yes
C(27) C(28) 1.393(7) yes
C(29) C(30) 1.385(6) yes
C(29) C(34) 1.398(6) yes
C(30) C(31) 1.402(7) yes
C(31) C(32) 1.382(9) yes
C(32) C(33) 1.360(9) yes
C(33) C(34) 1.407(7) yes
C(35) C(36) 1.383(6) yes
C(35) C(40) 1.394(6) yes
C(36) C(37) 1.384(6) yes
C(37) C(38) 1.390(8) yes
C(38) C(39) 1.355(8) yes
C(39) C(40) 1.383(7) yes
C(41) C(42) 1.391(6) yes
C(41) C(46) 1.402(6) yes
C(42) C(43) 1.393(7) yes
C(43) C(44) 1.398(9) yes
C(44) C(45) 1.351(9) yes
C(45) C(46) 1.389(7) yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
O(2) C(4) 3.026(6) 2_565
O(2) C(24) 3.494(6) 2_666
O(2) C(25) 3.592(6) 2_666
O(3) C(13) 3.164(7) 2_455
O(3) C(27) 3.430(6) 2_566
O(5) C(13) 3.444(9) 2_455
C(17) C(25) 3.319(6) 2_666
C(17) C(24) 3.546(6) 2_666
C(18) C(24) 3.532(6) 2_666
C(18) C(25) 3.567(7) 2_666
C(20) C(28) 3.493(8) 1_554
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_publ_flag
Pt(1) P(1) C(21) C(22) 27.7(3) yes
Pt(1) P(1) C(23) C(24) -111.9(3) yes
Pt(1) P(1) C(23) C(28) 58.4(3) yes
Pt(1) P(1) C(29) C(30) -174.1(3) yes
Pt(1) P(1) C(29) C(34) 5.1(4) yes
Pt(1) P(2) C(22) C(21) 50.7(3) yes
Pt(1) P(2) C(35) C(36) 27.1(4) yes
Pt(1) P(2) C(35) C(40) -152.1(3) yes
Pt(1) P(2) C(41) C(42) -62.1(4) yes
Pt(1) P(2) C(41) C(46) 120.5(4) yes
Pt(1) C(1) C(2) S(1) 4.9(5) yes
Pt(1) C(1) C(2) C(5) -168.7(3) yes
Pt(1) C(1) C(3) O(3) -71.4(4) yes
Pt(1) C(1) C(3) O(4) 103.8(3) yes
Pt(1) C(14) C(15) C(16) 179.9(3) yes
Pt(1) C(14) C(19) C(18) -178.3(3) yes
S(1) C(2) C(1) C(3) 175.3(3) yes
S(1) C(2) C(5) O(5) 145.6(4) yes
S(1) C(2) C(5) O(6) -36.2(5) yes
S(1) C(7) C(8) C(9) 177.0(4) yes
S(1) C(7) C(12) C(11) -178.4(4) yes
P(1) Pt(1) P(2) C(22) -26.5(1) yes
P(1) Pt(1) P(2) C(35) 84.5(1) yes
P(1) Pt(1) P(2) C(41) -152.5(2) yes
P(1) Pt(1) C(1) C(2) 47(1) yes
P(1) Pt(1) C(1) C(3) -123.2(9) yes
P(1) Pt(1) C(14) C(15) 113.2(3) yes
P(1) Pt(1) C(14) C(19) -69.6(3) yes
P(1) C(21) C(22) P(2) -49.7(3) yes
P(1) C(23) C(24) C(25) 170.1(3) yes
P(1) C(23) C(28) C(27) -170.7(4) yes
P(1) C(29) C(30) C(31) 178.9(4) yes
P(1) C(29) C(34) C(33) 180.0(3) yes
P(2) Pt(1) P(1) C(21) 2.6(1) yes
P(2) Pt(1) P(1) C(23) -115.7(1) yes
P(2) Pt(1) P(1) C(29) 119.8(1) yes
P(2) Pt(1) C(1) C(2) -86.7(3) yes
P(2) Pt(1) C(1) C(3) 102.4(3) yes
P(2) Pt(1) C(14) C(15) 165.6(6) yes
P(2) Pt(1) C(14) C(19) -17(1) yes
P(2) C(35) C(36) C(37) -175.4(4) yes
P(2) C(35) C(40) C(39) 174.2(4) yes
P(2) C(41) C(42) C(43) -175.8(4) yes
P(2) C(41) C(46) C(45) 175.8(4) yes
O(1) C(10) C(9) C(8) 177.6(5) yes
O(1) C(10) C(11) C(12) -179.1(5) yes
O(2) C(17) C(16) C(15) 177.8(4) yes
O(2) C(17) C(18) C(19) -176.2(4) yes
O(3) C(3) O(4) C(4) -0.7(6) yes
O(3) C(3) C(1) C(2) 117.2(5) yes
O(4) C(3) C(1) C(2) -67.6(5) yes
O(5) C(5) O(6) C(6) -7.1(8) yes
O(5) C(5) C(2) C(1) -40.7(7) yes
O(6) C(5) C(2) C(1) 137.4(4) yes
C(1) Pt(1) P(1) C(21) -132.4(10) yes
C(1) Pt(1) P(1) C(23) 109.3(10) yes
C(1) Pt(1) P(1) C(29) -15.2(10) yes
C(1) Pt(1) P(2) C(22) 149.3(2) yes
C(1) Pt(1) P(2) C(35) -99.7(2) yes
C(1) Pt(1) P(2) C(41) 23.3(2) yes
C(1) Pt(1) C(14) C(15) -62.3(4) yes
C(1) Pt(1) C(14) C(19) 114.9(3) yes
C(1) C(2) S(1) C(7) 146.6(3) yes
C(1) C(3) O(4) C(4) -175.9(4) yes
C(2) S(1) C(7) C(8) -44.2(4) yes
C(2) S(1) C(7) C(12) 134.2(3) yes
C(2) C(1) Pt(1) C(14) 98.6(3) yes
C(2) C(5) O(6) C(6) 174.8(5) yes
C(3) C(1) Pt(1) C(14) -72.4(3) yes
C(3) C(1) C(2) C(5) 1.7(6) yes
C(5) C(2) S(1) C(7) -39.5(4) yes
C(7) C(8) C(9) C(10) 1.2(8) yes
C(7) C(12) C(11) C(10) 1.5(7) yes
C(8) C(7) C(12) C(11) 0.1(7) yes
C(8) C(9) C(10) C(11) 0.4(8) yes
C(9) C(8) C(7) C(12) -1.4(7) yes
C(9) C(10) O(1) C(13) 8.2(8) yes
C(9) C(10) C(11) C(12) -1.7(8) yes
C(11) C(10) O(1) C(13) -174.5(6) yes
C(14) Pt(1) P(1) C(21) 177.0(2) yes
C(14) Pt(1) P(1) C(23) 58.7(2) yes
C(14) Pt(1) P(1) C(29) -65.8(2) yes
C(14) Pt(1) P(2) C(22) -79.2(8) yes
C(14) Pt(1) P(2) C(35) 31.8(8) yes
C(14) Pt(1) P(2) C(41) 154.8(8) yes
C(14) C(15) C(16) C(17) -1.3(7) yes
C(14) C(19) C(18) C(17) -2.0(6) yes
C(15) C(14) C(19) C(18) -0.9(6) yes
C(15) C(16) C(17) C(18) -1.7(6) yes
C(16) C(15) C(14) C(19) 2.5(6) yes
C(16) C(17) O(2) C(20) -1.5(7) yes
C(16) C(17) C(18) C(19) 3.3(6) yes
C(18) C(17) O(2) C(20) 177.9(5) yes
C(21) P(1) C(23) C(24) 128.2(3) yes
C(21) P(1) C(23) C(28) -61.5(3) yes
C(21) P(1) C(29) C(30) -54.1(4) yes
C(21) P(1) C(29) C(34) 125.1(3) yes
C(21) C(22) P(2) C(35) -66.2(3) yes
C(21) C(22) P(2) C(41) -172.5(3) yes
C(22) P(2) C(35) C(36) 140.0(3) yes
C(22) P(2) C(35) C(40) -39.2(4) yes
C(22) P(2) C(41) C(42) 172.6(3) yes
C(22) P(2) C(41) C(46) -4.9(4) yes
C(22) C(21) P(1) C(23) 150.7(3) yes
C(22) C(21) P(1) C(29) -97.5(3) yes
C(23) P(1) C(29) C(30) 57.7(4) yes
C(23) P(1) C(29) C(34) -123.1(3) yes
C(23) C(24) C(25) C(26) -0.6(7) yes
C(23) C(28) C(27) C(26) 0.6(7) yes
C(24) C(23) P(1) C(29) 18.0(4) yes
C(24) C(23) C(28) C(27) 0.0(6) yes
C(24) C(25) C(26) C(27) 1.1(8) yes
C(25) C(24) C(23) C(28) 0.0(6) yes
C(25) C(26) C(27) C(28) -1.1(8) yes
C(28) C(23) P(1) C(29) -171.6(3) yes
C(29) C(30) C(31) C(32) 1.6(8) yes
C(29) C(34) C(33) C(32) 0.7(7) yes
C(30) C(29) C(34) C(33) -0.9(6) yes
C(30) C(31) C(32) C(33) -1.8(9) yes
C(31) C(30) C(29) C(34) -0.3(7) yes
C(31) C(32) C(33) C(34) 0.6(9) yes
C(35) P(2) C(41) C(42) 65.2(4) yes
C(35) P(2) C(41) C(46) -112.3(4) yes
C(35) C(36) C(37) C(38) -1.1(8) yes
C(35) C(40) C(39) C(38) 3.5(8) yes
C(36) C(35) P(2) C(41) -109.2(4) yes
C(36) C(35) C(40) C(39) -5.0(7) yes
C(36) C(37) C(38) C(39) -0.5(9) yes
C(37) C(36) C(35) C(40) 3.8(7) yes
C(37) C(38) C(39) C(40) -0.7(9) yes
C(40) C(35) P(2) C(41) 71.6(4) yes
C(41) C(42) C(43) C(44) -0.6(9) yes
C(41) C(46) C(45) C(44) 0.3(9) yes
C(42) C(41) C(46) C(45) -1.5(7) yes
C(42) C(43) C(44) C(45) -0.7(10) yes
C(43) C(42) C(41) C(46) 1.7(7) yes
C(43) C(44) C(45) C(46) 0.8(10) yes
C(43) C(44) C(45) C(46) 0.8(10) yes
