#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/80/4318061.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_4318061
loop_
_publ_author_name
'Rubén Mas-Ballesté'
'Mercè Capdevila'
'Paul A. Champkin'
'William Clegg'
'Robert A. Coxall'
'Agustí Lledós'
'Claire Mégret'
'Pilar González-Duarte'
_publ_section_title
;
 Diverse Evolution of [{Ph2P(CH2)nPPh2}Pt(μ-S)2Pt{Ph2P(CH2)nPPh2}] (n= 2,
 3) Metalloligands in CH2Cl2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3218
_journal_page_last               3229
_journal_paper_doi               10.1021/ic0107173
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C66.5 H68 Cl2 P4 Pt2 S3'
_chemical_formula_weight         1548.35
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.7764(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.8539(5)
_cell_length_b                   13.0377(5)
_cell_length_c                   34.1386(13)
_cell_measurement_reflns_used    26969
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      29.07
_cell_measurement_theta_min      2.14
_cell_volume                     6163.3(4)
_computing_cell_refinement       'Siemens SMART'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SAINT'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'SHELXTL and local programs'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      160(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measurement_device_type  'Siemens SMART CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_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  0.0560
_diffrn_reflns_av_sigmaI/netI    0.0638
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            47355
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         29.07
_diffrn_reflns_theta_min         1.47
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.868
_exptl_absorpt_correction_T_max  0.697
_exptl_absorpt_correction_T_min  0.388
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3060
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.963
_refine_diff_density_min         -2.957
_refine_diff_density_rms         0.177
_refine_ls_extinction_coef       0.00013(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     706
_refine_ls_number_reflns         15234
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0464
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0419P)²+7.9000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0914
_refine_ls_wR_factor_ref         0.0982
_reflns_number_gt                11548
_reflns_number_total             15234
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0107173_4.cif
_cod_data_source_block           compound_11
_cod_original_formula_sum        'C66.50 H68 Cl2 P4 Pt2 S3'
_cod_database_code               4318061
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 0.264181(16) 0.431426(17) 0.126521(6) 0.01710(6) Uani 1 1 d . . .
Pt2 Pt 0.149080(15) 0.648808(16) 0.118304(6) 0.01554(6) Uani 1 1 d . . .
S1 S 0.28770(11) 0.58114(11) 0.08865(4) 0.0205(3) Uani 1 1 d . . .
S2 S 0.09854(10) 0.47401(11) 0.11561(4) 0.0181(3) Uani 1 1 d . . .
S3 S 0.12035(13) 0.53321(13) 0.02826(4) 0.0284(4) Uani 1 1 d . . .
C1 C 0.2479(5) 0.5385(5) 0.03928(17) 0.0277(14) Uani 1 1 d . . .
H1A H 0.2773 0.5847 0.0200 0.033 Uiso 1 1 calc R . .
H1B H 0.2748 0.4691 0.0350 0.033 Uiso 1 1 calc R . .
C2 C 0.0806(5) 0.4416(5) 0.06300(16) 0.0244(13) Uani 1 1 d . . .
H2A H 0.1144 0.3761 0.0581 0.029 Uiso 1 1 calc R . .
H2B H 0.0108 0.4294 0.0579 0.029 Uiso 1 1 calc R . .
P1 P 0.42481(11) 0.40535(12) 0.13726(4) 0.0201(3) Uani 1 1 d . . .
P2 P 0.23043(11) 0.29365(11) 0.16443(4) 0.0196(3) Uani 1 1 d . . .
C3 C 0.4699(4) 0.4456(5) 0.18556(16) 0.0215(12) Uani 1 1 d . . .
C4 C 0.4289(5) 0.5294(5) 0.20403(18) 0.0279(14) Uani 1 1 d . . .
H4A H 0.3761 0.5647 0.1918 0.033 Uiso 1 1 calc R . .
C5 C 0.4651(5) 0.5612(6) 0.2403(2) 0.0369(17) Uani 1 1 d . . .
H5A H 0.4376 0.6189 0.2527 0.044 Uiso 1 1 calc R . .
C6 C 0.5406(6) 0.5099(6) 0.2583(2) 0.0403(18) Uani 1 1 d . . .
H6A H 0.5644 0.5316 0.2834 0.048 Uiso 1 1 calc R . .
C7 C 0.5826(5) 0.4262(6) 0.24017(19) 0.0341(16) Uani 1 1 d . . .
H7A H 0.6346 0.3906 0.2529 0.041 Uiso 1 1 calc R . .
C8 C 0.5487(5) 0.3951(5) 0.20364(17) 0.0286(14) Uani 1 1 d . . .
H8A H 0.5786 0.3394 0.1908 0.034 Uiso 1 1 calc R . .
C9 C 0.5048(4) 0.4686(5) 0.10309(17) 0.0227(13) Uani 1 1 d . . .
C10 C 0.5065(5) 0.4318(6) 0.06512(19) 0.0343(16) Uani 1 1 d . . .
H10A H 0.4646 0.3776 0.0570 0.041 Uiso 1 1 calc R . .
C11 C 0.5702(5) 0.4748(6) 0.03867(19) 0.0396(18) Uani 1 1 d . . .
H11A H 0.5736 0.4477 0.0129 0.047 Uiso 1 1 calc R . .
C12 C 0.6271(5) 0.5552(6) 0.0498(2) 0.0418(18) Uani 1 1 d . . .
H12A H 0.6690 0.5853 0.0316 0.050 Uiso 1 1 calc R . .
C13 C 0.6242(6) 0.5932(6) 0.0874(2) 0.0424(19) Uani 1 1 d . . .
H13A H 0.6640 0.6496 0.0951 0.051 Uiso 1 1 calc R . .
C14 C 0.5630(5) 0.5488(5) 0.11417(19) 0.0334(16) Uani 1 1 d . . .
H14A H 0.5616 0.5744 0.1402 0.040 Uiso 1 1 calc R . .
C15 C 0.4586(5) 0.2717(5) 0.13220(17) 0.0269(14) Uani 1 1 d . . .
H15A H 0.4391 0.2486 0.1055 0.032 Uiso 1 1 calc R . .
H15B H 0.5298 0.2666 0.1346 0.032 Uiso 1 1 calc R . .
C16 C 0.4156(5) 0.1995(5) 0.16141(19) 0.0276(14) Uani 1 1 d . . .
H16A H 0.4284 0.2270 0.1881 0.033 Uiso 1 1 calc R . .
H16B H 0.4486 0.1324 0.1597 0.033 Uiso 1 1 calc R . .
C17 C 0.3074(5) 0.1828(5) 0.15555(18) 0.0259(13) Uani 1 1 d . . .
H17A H 0.2879 0.1266 0.1731 0.031 Uiso 1 1 calc R . .
H17B H 0.2948 0.1594 0.1283 0.031 Uiso 1 1 calc R . .
C18 C 0.2400(4) 0.3227(5) 0.21644(16) 0.0222(13) Uani 1 1 d . . .
C19 C 0.2255(5) 0.4220(5) 0.22808(18) 0.0289(14) Uani 1 1 d . . .
H19A H 0.2116 0.4735 0.2090 0.035 Uiso 1 1 calc R . .
C20 C 0.2312(5) 0.4482(6) 0.26830(18) 0.0344(16) Uani 1 1 d . . .
H20A H 0.2194 0.5166 0.2764 0.041 Uiso 1 1 calc R . .
C21 C 0.2538(5) 0.3737(6) 0.29543(18) 0.0363(17) Uani 1 1 d . . .
H21A H 0.2593 0.3911 0.3224 0.044 Uiso 1 1 calc R . .
C22 C 0.2686(5) 0.2741(6) 0.28385(19) 0.0391(18) Uani 1 1 d . . .
H22A H 0.2844 0.2232 0.3029 0.047 Uiso 1 1 calc R . .
C23 C 0.2606(5) 0.2473(5) 0.24439(19) 0.0311(15) Uani 1 1 d . . .
H23A H 0.2692 0.1780 0.2366 0.037 Uiso 1 1 calc R . .
C24 C 0.1113(4) 0.2372(4) 0.15624(17) 0.0214(12) Uani 1 1 d . . .
C25 C 0.0453(5) 0.2265(5) 0.18621(19) 0.0299(14) Uani 1 1 d . . .
H25A H 0.0601 0.2547 0.2113 0.036 Uiso 1 1 calc R . .
C26 C -0.0412(5) 0.1755(5) 0.1798(2) 0.0345(16) Uani 1 1 d . . .
H26A H -0.0859 0.1692 0.2002 0.041 Uiso 1 1 calc R . .
C27 C -0.0624(5) 0.1330(5) 0.1428(2) 0.0360(16) Uani 1 1 d . . .
H27A H -0.1208 0.0961 0.1383 0.043 Uiso 1 1 calc R . .
C28 C 0.0014(5) 0.1448(5) 0.1129(2) 0.0333(15) Uani 1 1 d . . .
H28A H -0.0137 0.1171 0.0877 0.040 Uiso 1 1 calc R . .
C29 C 0.0885(5) 0.1974(5) 0.11956(18) 0.0276(14) Uani 1 1 d . . .
H29A H 0.1320 0.2059 0.0988 0.033 Uiso 1 1 calc R . .
P3 P 0.21352(12) 0.80922(11) 0.11885(4) 0.0196(3) Uani 1 1 d . . .
P4 P 0.01120(11) 0.70373(11) 0.14580(4) 0.0170(3) Uani 1 1 d . . .
C30 C 0.3463(4) 0.8131(4) 0.12367(17) 0.0210(12) Uani 1 1 d . . .
C31 C 0.4001(5) 0.8389(6) 0.0918(2) 0.0359(16) Uani 1 1 d . . .
H31A H 0.3696 0.8547 0.0672 0.043 Uiso 1 1 calc R . .
C32 C 0.5019(5) 0.8413(6) 0.0967(2) 0.045(2) Uani 1 1 d . . .
H32A H 0.5408 0.8585 0.0752 0.055 Uiso 1 1 calc R . .
C33 C 0.5443(5) 0.8188(6) 0.1323(2) 0.0393(18) Uani 1 1 d . . .
H33A H 0.6127 0.8203 0.1354 0.047 Uiso 1 1 calc R . .
C34 C 0.4896(5) 0.7941(6) 0.1638(2) 0.0385(17) Uani 1 1 d . . .
H34A H 0.5200 0.7805 0.1886 0.046 Uiso 1 1 calc R . .
C35 C 0.3890(5) 0.7889(6) 0.15939(19) 0.0338(16) Uani 1 1 d . . .
H35A H 0.3508 0.7689 0.1807 0.041 Uiso 1 1 calc R . .
C36 C 0.1790(4) 0.8752(4) 0.07350(16) 0.0208(12) Uani 1 1 d . . .
C37 C 0.1332(5) 0.8204(5) 0.04317(19) 0.0353(16) Uani 1 1 d . . .
H37A H 0.1205 0.7493 0.0463 0.042 Uiso 1 1 calc R . .
C38 C 0.1062(6) 0.8689(5) 0.00846(19) 0.0408(18) Uani 1 1 d . . .
H38A H 0.0768 0.8307 -0.0124 0.049 Uiso 1 1 calc R . .
C39 C 0.1221(5) 0.9728(6) 0.0042(2) 0.0365(17) Uani 1 1 d . . .
H39A H 0.1019 1.0065 -0.0194 0.044 Uiso 1 1 calc R . .
C40 C 0.1670(5) 1.0275(5) 0.03385(19) 0.0330(16) Uani 1 1 d . . .
H40A H 0.1782 1.0989 0.0308 0.040 Uiso 1 1 calc R . .
C41 C 0.1959(5) 0.9792(5) 0.06808(18) 0.0289(15) Uani 1 1 d . . .
H41A H 0.2278 1.0175 0.0883 0.035 Uiso 1 1 calc R . .
C42 C 0.1792(5) 0.8936(4) 0.15802(17) 0.0248(13) Uani 1 1 d . . .
H42A H 0.2071 0.8667 0.1830 0.030 Uiso 1 1 calc R . .
H42B H 0.2082 0.9619 0.1536 0.030 Uiso 1 1 calc R . .
C43 C 0.0697(5) 0.9073(4) 0.16244(17) 0.0229(13) Uani 1 1 d . . .
H43A H 0.0394 0.9226 0.1365 0.028 Uiso 1 1 calc R . .
H43B H 0.0582 0.9666 0.1798 0.028 Uiso 1 1 calc R . .
C44 C 0.0220(4) 0.8114(5) 0.17957(16) 0.0224(13) Uani 1 1 d . . .
H44A H -0.0432 0.8301 0.1882 0.027 Uiso 1 1 calc R . .
H44B H 0.0602 0.7893 0.2031 0.027 Uiso 1 1 calc R . .
C45 C -0.0480(4) 0.6080(5) 0.17481(16) 0.0213(12) Uani 1 1 d . . .
C46 C 0.0020(5) 0.5668(5) 0.20690(18) 0.0312(15) Uani 1 1 d . . .
H46A H 0.0658 0.5896 0.2130 0.037 Uiso 1 1 calc R . .
C47 C -0.0396(6) 0.4932(6) 0.2301(2) 0.0394(17) Uani 1 1 d . . .
H47A H -0.0042 0.4655 0.2519 0.047 Uiso 1 1 calc R . .
C48 C -0.1322(6) 0.4599(6) 0.2216(2) 0.0405(18) Uani 1 1 d . . .
H48A H -0.1606 0.4086 0.2373 0.049 Uiso 1 1 calc R . .
C49 C -0.1828(5) 0.5013(6) 0.1904(2) 0.0409(18) Uani 1 1 d . . .
H49A H -0.2474 0.4799 0.1851 0.049 Uiso 1 1 calc R . .
C50 C -0.1417(5) 0.5737(5) 0.16670(19) 0.0310(15) Uani 1 1 d . . .
H50A H -0.1773 0.6003 0.1447 0.037 Uiso 1 1 calc R . .
C51 C -0.0763(4) 0.7418(4) 0.10759(15) 0.0195(12) Uani 1 1 d . . .
C52 C -0.0848(4) 0.6839(5) 0.07311(17) 0.0266(14) Uani 1 1 d . . .
H52A H -0.0441 0.6261 0.0699 0.032 Uiso 1 1 calc R . .
C53 C -0.1507(5) 0.7090(5) 0.04402(18) 0.0317(15) Uani 1 1 d . . .
H53A H -0.1561 0.6679 0.0211 0.038 Uiso 1 1 calc R . .
C54 C -0.2097(5) 0.7940(5) 0.04786(18) 0.0316(15) Uani 1 1 d . . .
H54A H -0.2552 0.8118 0.0276 0.038 Uiso 1 1 calc R . .
C55 C -0.2016(5) 0.8523(5) 0.08136(19) 0.0348(16) Uani 1 1 d . . .
H55A H -0.2423 0.9104 0.0840 0.042 Uiso 1 1 calc R . .
C56 C -0.1357(5) 0.8286(5) 0.11137(18) 0.0281(14) Uani 1 1 d . . .
H56A H -0.1306 0.8703 0.1342 0.034 Uiso 1 1 calc R . .
Cl1 Cl 0.28050(12) 0.27597(12) 0.05278(4) 0.0303(3) Uani 1 1 d . . .
Cl2 Cl 0.22814(12) 0.71215(13) 0.23541(5) 0.0326(4) Uani 1 1 d . . .
C57 C 0.7023(7) 0.1817(7) 0.0849(2) 0.055(2) Uani 1 1 d . . .
H57A H 0.7070 0.1872 0.0572 0.066 Uiso 1 1 calc R . .
C58 C 0.6547(6) 0.0984(7) 0.1009(3) 0.052(2) Uani 1 1 d . . .
H58A H 0.6277 0.0478 0.0838 0.062 Uiso 1 1 calc R . .
C59 C 0.6455(6) 0.0872(7) 0.1408(3) 0.051(2) Uani 1 1 d . . .
H59A H 0.6121 0.0303 0.1514 0.061 Uiso 1 1 calc R . .
C60 C 0.6872(6) 0.1629(7) 0.1654(2) 0.047(2) Uani 1 1 d . . .
H60A H 0.6831 0.1572 0.1930 0.056 Uiso 1 1 calc R . .
C61 C 0.7341(6) 0.2457(7) 0.1492(2) 0.048(2) Uani 1 1 d . . .
H61A H 0.7613 0.2967 0.1661 0.058 Uiso 1 1 calc R . .
C62 C 0.7427(6) 0.2563(6) 0.1088(3) 0.048(2) Uani 1 1 d . . .
C63 C 0.7971(8) 0.3446(8) 0.0911(3) 0.085(3) Uani 1 1 d . . .
H63A H 0.8082 0.3302 0.0635 0.127 Uiso 1 1 calc R . .
H63B H 0.8594 0.3531 0.1052 0.127 Uiso 1 1 calc R . .
H63C H 0.7592 0.4076 0.0933 0.127 Uiso 1 1 calc R . .
C64 C 0.5762(6) 0.9382(8) -0.0096(2) 0.052(2) Uani 1 1 d . . .
H64 H 0.6289 0.8958 -0.0165 0.063 Uiso 1 1 calc R . .
C65 C 0.4850(7) 0.8960(8) -0.0073(2) 0.058(2) Uani 1 1 d . . .
H65 H 0.4744 0.8243 -0.0122 0.070 Uiso 0.50 1 d PR A 2
C66 C 0.4083(6) 0.9611(7) 0.0022(2) 0.051(2) Uani 1 1 d . . .
H66 H 0.3448 0.9341 0.0034 0.061 Uiso 1 1 calc R . .
C67 C 0.4721(14) 0.7904(13) -0.0108(5) 0.062(5) Uani 0.50 1 d P . .
H67A H 0.5235 0.7549 0.0042 0.093 Uiso 0.50 1 calc PR B 1
H67B H 0.4746 0.7706 -0.0384 0.093 Uiso 0.50 1 calc PR B 1
H67C H 0.4093 0.7713 -0.0006 0.093 Uiso 0.50 1 calc PR B 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'
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 P2 90.44(6) . . ?
P1 Pt1 S1 93.49(5) . . ?
P2 Pt1 S1 175.40(5) . . ?
P1 Pt1 S2 175.12(5) . . ?
P2 Pt1 S2 93.39(5) . . ?
S1 Pt1 S2 82.56(5) . . ?
P4 Pt2 P3 92.39(5) . . ?
P4 Pt2 S1 176.22(5) . . ?
P3 Pt2 S1 91.31(5) . . ?
P4 Pt2 S2 93.88(5) . . ?
P3 Pt2 S2 173.67(5) . . ?
S1 Pt2 S2 82.45(5) . . ?
C1 S1 Pt2 106.2(2) . . ?
C1 S1 Pt1 102.0(2) . . ?
Pt2 S1 Pt1 86.94(5) . . ?
C2 S2 Pt1 101.4(2) . . ?
C2 S2 Pt2 106.6(2) . . ?
Pt1 S2 Pt2 86.35(5) . . ?
C2 S3 C1 102.0(3) . . ?
S3 C1 S1 117.9(3) . . ?
S3 C2 S2 117.2(3) . . ?
C15 P1 C3 106.3(3) . . ?
C15 P1 C9 102.1(3) . . ?
C3 P1 C9 104.4(3) . . ?
C15 P1 Pt1 112.5(2) . . ?
C3 P1 Pt1 114.2(2) . . ?
C9 P1 Pt1 116.1(2) . . ?
C18 P2 C24 105.8(3) . . ?
C18 P2 C17 107.6(3) . . ?
C24 P2 C17 100.7(3) . . ?
C18 P2 Pt1 112.4(2) . . ?
C24 P2 Pt1 115.71(19) . . ?
C17 P2 Pt1 113.6(2) . . ?
C4 C3 C8 119.5(6) . . ?
C4 C3 P1 120.2(5) . . ?
C8 C3 P1 120.2(5) . . ?
C5 C4 C3 119.9(6) . . ?
C6 C5 C4 120.3(7) . . ?
C5 C6 C7 120.4(7) . . ?
C8 C7 C6 119.9(7) . . ?
C7 C8 C3 119.9(6) . . ?
C14 C9 C10 119.9(6) . . ?
C14 C9 P1 122.1(5) . . ?
C10 C9 P1 118.0(5) . . ?
C9 C10 C11 119.7(7) . . ?
C12 C11 C10 120.0(7) . . ?
C11 C12 C13 120.3(6) . . ?
C12 C13 C14 119.8(7) . . ?
C9 C14 C13 120.2(6) . . ?
C16 C15 P1 115.4(4) . . ?
C15 C16 C17 114.3(5) . . ?
C16 C17 P2 116.2(4) . . ?
C19 C18 C23 119.8(6) . . ?
C19 C18 P2 118.3(5) . . ?
C23 C18 P2 121.9(5) . . ?
C18 C19 C20 120.3(6) . . ?
C21 C20 C19 119.3(7) . . ?
C20 C21 C22 120.5(6) . . ?
C21 C22 C23 120.5(6) . . ?
C22 C23 C18 119.6(6) . . ?
C29 C24 C25 119.2(6) . . ?
C29 C24 P2 118.1(5) . . ?
C25 C24 P2 122.5(5) . . ?
C26 C25 C24 120.9(6) . . ?
C25 C26 C27 119.3(6) . . ?
C28 C27 C26 120.1(6) . . ?
C27 C28 C29 120.2(6) . . ?
C24 C29 C28 120.1(6) . . ?
C42 P3 C36 105.9(3) . . ?
C42 P3 C30 101.7(3) . . ?
C36 P3 C30 107.3(3) . . ?
C42 P3 Pt2 117.0(2) . . ?
C36 P3 Pt2 109.6(2) . . ?
C30 P3 Pt2 114.64(19) . . ?
C45 P4 C44 102.5(3) . . ?
C45 P4 C51 106.1(3) . . ?
C44 P4 C51 106.4(3) . . ?
C45 P4 Pt2 114.26(19) . . ?
C44 P4 Pt2 116.8(2) . . ?
C51 P4 Pt2 109.86(18) . . ?
C35 C30 C31 121.9(6) . . ?
C35 C30 P3 118.3(4) . . ?
C31 C30 P3 119.9(5) . . ?
C30 C31 C32 118.2(6) . . ?
C33 C32 C31 120.0(7) . . ?
C32 C33 C34 120.9(7) . . ?
C33 C34 C35 120.1(7) . . ?
C30 C35 C34 118.9(6) . . ?
C41 C36 C37 118.4(6) . . ?
C41 C36 P3 122.2(5) . . ?
C37 C36 P3 119.4(5) . . ?
C38 C37 C36 120.4(6) . . ?
C39 C38 C37 119.9(7) . . ?
C40 C39 C38 120.1(6) . . ?
C39 C40 C41 120.2(6) . . ?
C40 C41 C36 121.0(6) . . ?
C43 C42 P3 115.2(4) . . ?
C42 C43 C44 112.3(5) . . ?
C43 C44 P4 114.5(4) . . ?
C46 C45 C50 118.2(6) . . ?
C46 C45 P4 118.5(5) . . ?
C50 C45 P4 123.3(5) . . ?
C47 C46 C45 121.0(7) . . ?
C48 C47 C46 120.1(7) . . ?
C49 C48 C47 119.4(7) . . ?
C48 C49 C50 121.1(7) . . ?
C49 C50 C45 120.2(7) . . ?
C52 C51 C56 118.5(5) . . ?
C52 C51 P4 119.4(4) . . ?
C56 C51 P4 122.1(4) . . ?
C53 C52 C51 121.2(6) . . ?
C52 C53 C54 120.3(6) . . ?
C55 C54 C53 119.2(6) . . ?
C54 C55 C56 121.7(6) . . ?
C55 C56 C51 119.1(6) . . ?
C62 C57 C58 120.5(8) . . ?
C59 C58 C57 122.0(8) . . ?
C58 C59 C60 117.7(8) . . ?
C61 C60 C59 119.9(7) . . ?
C60 C61 C62 121.9(8) . . ?
C57 C62 C61 118.1(8) . . ?
C57 C62 C63 120.0(9) . . ?
C61 C62 C63 121.9(9) . . ?
C66 C64 C65 121.0(8) 3_675 . ?
C64 C65 C67 120.2(12) . . ?
C64 C65 C66 118.1(9) . . ?
C67 C65 C66 121.4(12) . . ?
C64 C66 C65 120.9(9) 3_675 . ?
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 2.2697(16) . ?
Pt1 P2 2.2710(15) . ?
Pt1 S1 2.3693(14) . ?
Pt1 S2 2.3791(14) . ?
Pt2 P4 2.2702(14) . ?
Pt2 P3 2.2738(15) . ?
Pt2 S1 2.3688(14) . ?
Pt2 S2 2.3850(14) . ?
S1 C1 1.843(6) . ?
S2 C2 1.854(6) . ?
S3 C2 1.783(6) . ?
S3 C1 1.797(7) . ?
P1 C15 1.814(6) . ?
P1 C3 1.823(6) . ?
P1 C9 1.830(6) . ?
P2 C18 1.816(6) . ?
P2 C24 1.821(6) . ?
P2 C17 1.827(6) . ?
C3 C4 1.391(8) . ?
C3 C8 1.401(9) . ?
C4 C5 1.385(9) . ?
C5 C6 1.371(10) . ?
C6 C7 1.391(10) . ?
C7 C8 1.380(9) . ?
C9 C14 1.367(9) . ?
C9 C10 1.383(8) . ?
C10 C11 1.399(9) . ?
C11 C12 1.359(10) . ?
C12 C13 1.379(10) . ?
C13 C14 1.392(9) . ?
C15 C16 1.507(8) . ?
C16 C17 1.521(9) . ?
C18 C19 1.370(9) . ?
C18 C23 1.394(8) . ?
C19 C20 1.415(8) . ?
C20 C21 1.371(10) . ?
C21 C22 1.375(10) . ?
C22 C23 1.393(9) . ?
C24 C29 1.383(8) . ?
C24 C25 1.400(8) . ?
C25 C26 1.382(9) . ?
C26 C27 1.400(10) . ?
C27 C28 1.380(9) . ?
C28 C29 1.400(9) . ?
P3 C42 1.807(6) . ?
P3 C36 1.822(6) . ?
P3 C30 1.843(6) . ?
P4 C45 1.806(6) . ?
P4 C44 1.820(6) . ?
P4 C51 1.822(6) . ?
C30 C35 1.376(9) . ?
C30 C31 1.379(8) . ?
C31 C32 1.417(10) . ?
C32 C33 1.365(10) . ?
C33 C34 1.372(10) . ?
C34 C35 1.398(9) . ?
C36 C41 1.389(8) . ?
C36 C37 1.394(9) . ?
C37 C38 1.384(9) . ?
C38 C39 1.381(10) . ?
C39 C40 1.372(10) . ?
C40 C41 1.376(9) . ?
C42 C43 1.539(9) . ?
C43 C44 1.538(8) . ?
C45 C46 1.386(9) . ?
C45 C50 1.392(9) . ?
C46 C47 1.381(9) . ?
C47 C48 1.376(10) . ?
C48 C49 1.368(10) . ?
C49 C50 1.379(9) . ?
C51 C52 1.401(8) . ?
C51 C56 1.406(8) . ?
C52 C53 1.367(9) . ?
C53 C54 1.386(9) . ?
C54 C55 1.375(9) . ?
C55 C56 1.386(9) . ?
C57 C62 1.377(12) . ?
C57 C58 1.391(12) . ?
C58 C59 1.382(12) . ?
C59 C60 1.408(12) . ?
C60 C61 1.384(12) . ?
C61 C62 1.396(11) . ?
C62 C63 1.511(12) . ?
C64 C66 1.353(12) 3_675 ?
C64 C65 1.383(13) . ?
C65 C67 1.393(19) . ?
C65 C66 1.406(11) . ?
C66 C64 1.353(12) 3_675 ?
