#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:09:40 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179315 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/12/4321269.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_4321269
loop_
_publ_author_name
'Mark E. Tess'
'Pamela L. Hill'
'Karen E. Torraca'
'Margaret E. Kerr'
'Khalil A. Abboud'
'Lisa McElwee-White'
_publ_section_title
;
 Bimetallic Pt/Ru Complexes as Catalysts for the Electrooxidation of
 Methanol
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3942
_journal_page_last               3944
_journal_paper_doi               10.1021/ic0004434
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C51 H48 Cl9 P3 Pt Ru'
_chemical_formula_weight         1369.01
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.654(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.296(2)
_cell_length_b                   22.363(3)
_cell_length_c                   18.625(3)
_cell_measurement_temperature    173(2)
_cell_volume                     5277.1(14)
_computing_cell_refinement       'Bruker SMART/CCD'
_computing_data_collection       'Bruker SMART/CCD'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0337
_diffrn_reflns_av_sigmaI/netI    0.0401
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            36927
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    3.516
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prisms
_exptl_crystal_F_000             2696
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.667
_refine_diff_density_min         -0.465
_refine_diff_density_rms         0.083
_refine_ls_extinction_coef       0.00008(2)
_refine_ls_extinction_expression Fc^*^=3DkFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     614
_refine_ls_number_reflns         12039
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0233
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=3D1/[σ²(Fo²)+(0.0174P)²+0.0000P] where P=3D(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0480
_refine_ls_wR_factor_ref         0.0493
_reflns_number_gt                9893
_reflns_number_total             12039
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0004434.cif
_cod_data_source_block           IC0004434
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        5277(1)
_cod_database_code               4321269
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_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
Pt Pt 0.038972(8) 0.269863(4) 0.323556(6) 0.01976(3) Uani 1 1 d . . .
Ru Ru -0.006811(16) 0.104074(9) 0.339662(12) 0.01832(5) Uani 1 1 d . . .
Cl1 Cl 0.08851(6) 0.35518(3) 0.39313(4) 0.03136(16) Uani 1 1 d . . .
Cl2 Cl -0.13838(5) 0.28556(3) 0.32128(4) 0.02836(15) Uani 1 1 d . . .
Cl3 Cl -0.01462(5) 0.18516(3) 0.25017(4) 0.02229(13) Uani 1 1 d . . .
P1 P 0.20135(5) 0.24922(3) 0.32187(4) 0.02085(14) Uani 1 1 d . . .
P2 P 0.16772(5) 0.12658(3) 0.39972(4) 0.01949(14) Uani 1 1 d . . .
P3 P 0.01833(5) 0.03683(3) 0.25039(4) 0.01936(14) Uani 1 1 d . . .
C1 C -0.1065(2) 0.14030(13) 0.40625(16) 0.0277(6) Uani 1 1 d . . .
H1A H -0.1092 0.1820 0.4218 0.033 Uiso 1 1 calc R . .
C2 C -0.1731(2) 0.11329(13) 0.33947(16) 0.0296(6) Uani 1 1 d . . .
H2A H -0.2295 0.1335 0.3006 0.036 Uiso 1 1 calc R . .
C3 C -0.1481(2) 0.05201(13) 0.34055(17) 0.0304(7) Uani 1 1 d . . .
H3A H -0.1845 0.0223 0.3030 0.036 Uiso 1 1 calc R . .
C4 C -0.0635(2) 0.04045(12) 0.40666(16) 0.0285(6) Uani 1 1 d . . .
H4A H -0.0326 0.0012 0.4236 0.034 Uiso 1 1 calc R . .
C5 C -0.0388(2) 0.09494(13) 0.44784(16) 0.0275(6) Uani 1 1 d . . .
H5A H 0.0129 0.0997 0.4977 0.033 Uiso 1 1 calc R . .
C6 C 0.2425(2) 0.17118(11) 0.34903(15) 0.0212(5) Uani 1 1 d . . .
H6A H 0.3156 0.1722 0.3802 0.025 Uiso 1 1 calc R . .
H6B H 0.2404 0.1496 0.3034 0.025 Uiso 1 1 calc R . .
C11 C 0.2101(2) 0.25585(12) 0.22639(16) 0.0250(6) Uani 1 1 d . . .
C12 C 0.1328(2) 0.28772(15) 0.17319(18) 0.0371(7) Uani 1 1 d . . .
H12A H 0.0783 0.3058 0.1868 0.045 Uiso 1 1 calc R . .
C13 C 0.1368(3) 0.29270(17) 0.10023(19) 0.0481(9) Uani 1 1 d . . .
H13A H 0.0839 0.3134 0.0646 0.058 Uiso 1 1 calc R . .
C14 C 0.2184(3) 0.26726(15) 0.07969(18) 0.0420(8) Uani 1 1 d . . .
H14A H 0.2206 0.2709 0.0305 0.050 Uiso 1 1 calc R . .
C15 C 0.2963(3) 0.23654(14) 0.13218(18) 0.0377(7) Uani 1 1 d . . .
H15A H 0.3521 0.2199 0.1187 0.045 Uiso 1 1 calc R . .
C16 C 0.2920(2) 0.23037(13) 0.20520(16) 0.0297(6) Uani 1 1 d . . .
H16A H 0.3444 0.2090 0.2403 0.036 Uiso 1 1 calc R . .
C21 C 0.3125(2) 0.29292(11) 0.37976(16) 0.0228(6) Uani 1 1 d . . .
C22 C 0.3339(2) 0.29340(13) 0.45735(16) 0.0297(6) Uani 1 1 d . . .
H22A H 0.2886 0.2737 0.4789 0.036 Uiso 1 1 calc R . .
C23 C 0.4219(2) 0.32279(13) 0.50365(18) 0.0344(7) Uani 1 1 d . . .
H23A H 0.4358 0.3221 0.5557 0.041 Uiso 1 1 calc R . .
C24 C 0.4883(2) 0.35294(13) 0.47217(18) 0.0357(7) Uani 1 1 d . . .
H24A H 0.5477 0.3724 0.5028 0.043 Uiso 1 1 calc R . .
C25 C 0.4663(2) 0.35403(14) 0.39497(19) 0.0388(8) Uani 1 1 d . . .
H25A H 0.5106 0.3749 0.3736 0.047 Uiso 1 1 calc R . .
C26 C 0.3789(2) 0.32432(12) 0.34866(17) 0.0307(6) Uani 1 1 d . . .
H26A H 0.3650 0.3255 0.2966 0.037 Uiso 1 1 calc R . .
C31 C 0.1967(2) 0.16798(12) 0.48932(15) 0.0227(6) Uani 1 1 d . . .
C32 C 0.1253(2) 0.21091(12) 0.49834(15) 0.0245(6) Uani 1 1 d . . .
H32A H 0.0605 0.2154 0.4614 0.029 Uiso 1 1 calc R . .
C33 C 0.1501(2) 0.24708(13) 0.56208(16) 0.0304(7) Uani 1 1 d . . .
H33A H 0.1032 0.2767 0.5665 0.036 Uiso 1 1 calc R . .
C34 C 0.2447(3) 0.23924(14) 0.61908(17) 0.0354(7) Uani 1 1 d . . .
H34A H 0.2608 0.2628 0.6622 0.042 Uiso 1 1 calc R . .
C35 C 0.3146(2) 0.19587(14) 0.61086(17) 0.0361(7) Uani 1 1 d . . .
H35A H 0.3778 0.1901 0.6490 0.043 Uiso 1 1 calc R . .
C36 C 0.2916(2) 0.16090(13) 0.54650(16) 0.0309(7) Uani 1 1 d . . .
H36A H 0.3400 0.1324 0.5415 0.037 Uiso 1 1 calc R . .
C41 C 0.2518(2) 0.06059(12) 0.42966(15) 0.0228(6) Uani 1 1 d . . .
C42 C 0.3256(2) 0.04167(13) 0.39543(17) 0.0315(7) Uani 1 1 d . . .
H42A H 0.3380 0.0645 0.3572 0.038 Uiso 1 1 calc R . .
C43 C 0.3811(3) -0.01121(15) 0.4181(2) 0.0436(8) Uani 1 1 d . . .
H43A H 0.4305 -0.0236 0.3950 0.052 Uiso 1 1 calc R . .
C44 C 0.3632(3) -0.04557(14) 0.47516(19) 0.0436(8) Uani 1 1 d . . .
H44A H 0.4007 -0.0808 0.4904 0.052 Uiso 1 1 calc R . .
C45 C 0.2901(3) -0.02739(13) 0.50895(18) 0.0365(7) Uani 1 1 d . . .
H45A H 0.2777 -0.0504 0.5470 0.044 Uiso 1 1 calc R . .
C46 C 0.2345(2) 0.02543(12) 0.48647(16) 0.0290(6) Uani 1 1 d . . .
H46A H 0.1850 0.0375 0.5097 0.035 Uiso 1 1 calc R . .
C51 C -0.0789(2) 0.04329(11) 0.15647(15) 0.0224(6) Uani 1 1 d . . .
C52 C -0.1693(2) 0.07814(12) 0.14495(16) 0.0261(6) Uani 1 1 d . . .
H52A H -0.1794 0.1001 0.1846 0.031 Uiso 1 1 calc R . .
C53 C -0.2443(2) 0.08018(13) 0.07473(17) 0.0322(7) Uani 1 1 d . . .
H53A H -0.3046 0.1034 0.0674 0.039 Uiso 1 1 calc R . .
C54 C -0.2297(3) 0.04759(13) 0.01503(17) 0.0351(7) Uani 1 1 d . . .
H54A H -0.2803 0.0490 -0.0321 0.042 Uiso 1 1 calc R . .
C55 C -0.1406(2) 0.01336(13) 0.02577(16) 0.0333(7) Uani 1 1 d . . .
H55A H -0.1311 -0.0086 -0.0141 0.040 Uiso 1 1 calc R . .
C56 C -0.0650(2) 0.01142(12) 0.09552(16) 0.0291(6) Uani 1 1 d . . .
H56A H -0.0043 -0.0113 0.1020 0.035 Uiso 1 1 calc R . .
C61 C 0.1387(2) 0.03066(12) 0.22220(15) 0.0220(6) Uani 1 1 d . . .
C62 C 0.1692(2) 0.08012(13) 0.18820(16) 0.0278(6) Uani 1 1 d . . .
H62A H 0.1305 0.1154 0.1828 0.033 Uiso 1 1 calc R . .
C63 C 0.2562(3) 0.07732(14) 0.16250(18) 0.0366(7) Uani 1 1 d . . .
H63A H 0.2753 0.1105 0.1394 0.044 Uiso 1 1 calc R . .
C64 C 0.3150(2) 0.02543(15) 0.17109(19) 0.0396(8) Uani 1 1 d . . .
H64A H 0.3753 0.0242 0.1557 0.047 Uiso 1 1 calc R . .
C65 C 0.2846(2) -0.02419(14) 0.20220(18) 0.0372(7) Uani 1 1 d . . .
H65A H 0.3225 -0.0596 0.2059 0.045 Uiso 1 1 calc R . .
C66 C 0.1975(2) -0.02177(13) 0.22811(17) 0.0305(6) Uani 1 1 d . . .
H66A H 0.1779 -0.0556 0.2497 0.037 Uiso 1 1 calc R . .
C71 C -0.0018(2) -0.04003(11) 0.27764(15) 0.0223(6) Uani 1 1 d . . .
C72 C -0.0913(2) -0.07342(13) 0.24131(17) 0.0294(6) Uani 1 1 d . . .
H72A H -0.1420 -0.0578 0.1995 0.035 Uiso 1 1 calc R . .
C73 C -0.1046(3) -0.13018(13) 0.26780(19) 0.0378(8) Uani 1 1 d . . .
H73A H -0.1647 -0.1522 0.2437 0.045 Uiso 1 1 calc R . .
C74 C -0.0303(3) -0.15385(13) 0.32874(19) 0.0390(8) Uani 1 1 d . . .
H74A H -0.0397 -0.1920 0.3456 0.047 Uiso 1 1 calc R . .
C75 C 0.0587(3) -0.12136(13) 0.36546(18) 0.0364(7) Uani 1 1 d . . .
H75A H 0.1092 -0.1376 0.4069 0.044 Uiso 1 1 calc R . .
C76 C 0.0728(2) -0.06439(12) 0.34058(16) 0.0289(6) Uani 1 1 d . . .
H76A H 0.1323 -0.0423 0.3660 0.035 Uiso 1 1 calc R . .
C7 C 0.0985(3) 0.27991(15) 0.81812(15) 0.0530(9) Uani 1 1 d D . .
H7A H 0.0596 0.2426 0.8111 0.064 Uiso 1 1 calc R . .
H7B H 0.1732 0.2705 0.8366 0.064 Uiso 1 1 calc R . .
Cl4 Cl 0.07160(8) 0.31697(5) 0.73168(6) 0.0651(3) Uani 1 1 d D . .
Cl5 Cl 0.06389(11) 0.32356(6) 0.88465(6) 0.0836(4) Uani 1 1 d D . .
C8 C 0.3709(2) 0.10720(18) 0.96462(16) 0.0557(10) Uani 1 1 d D . .
Cl6 Cl 0.25040(7) 0.14152(5) 0.95961(6) 0.0607(3) Uani 1 1 d D A .
Cl7 Cl 0.4566(2) 0.11358(12) 1.05787(10) 0.0601(6) Uani 0.80 1 d PD A 1
Cl7' Cl 0.4611(10) 0.0881(6) 1.0510(5) 0.120(6) Uani 0.20 1 d PD A 2
C9 C 0.6104(3) -0.06581(15) 0.24120(17) 0.0601(11) Uani 1 1 d D . .
Cl8 Cl 0.62312(9) -0.00668(5) 0.18259(6) 0.0650(3) Uani 1 1 d D B .
Cl9 Cl 0.5902(14) -0.0326(7) 0.3205(6) 0.070(4) Uani 0.40 1 d PD B 3
Cl9' Cl 0.5526(6) -0.0572(3) 0.3133(3) 0.078(2) Uani 0.30 1 d PD B 4
Cl9" Cl 0.6092(16) -0.0376(7) 0.3283(7) 0.061(3) Uani 0.30 1 d PD B 5
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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 Pt Cl1 93.86(3) . . ?
P1 Pt Cl3 87.02(2) . . ?
Cl1 Pt Cl3 178.25(3) . . ?
P1 Pt Cl2 176.09(2) . . ?
Cl1 Pt Cl2 90.03(2) . . ?
Cl3 Pt Cl2 89.10(2) . . ?
C4 Ru C5 38.09(10) . . ?
C4 Ru C3 37.68(11) . . ?
C5 Ru C3 62.76(11) . . ?
C4 Ru C2 62.79(11) . . ?
C5 Ru C2 62.54(11) . . ?
C3 Ru C2 37.05(10) . . ?
C4 Ru C1 63.20(10) . . ?
C5 Ru C1 37.50(10) . . ?
C3 Ru C1 62.42(10) . . ?
C2 Ru C1 37.38(10) . . ?
C4 Ru P2 109.74(8) . . ?
C5 Ru P2 91.26(8) . . ?
C3 Ru P2 147.41(8) . . ?
C2 Ru P2 146.74(8) . . ?
C1 Ru P2 109.41(8) . . ?
C4 Ru P3 97.84(8) . . ?
C5 Ru P3 134.66(8) . . ?
C3 Ru P3 88.38(8) . . ?
C2 Ru P3 114.55(8) . . ?
C1 Ru P3 150.22(8) . . ?
P2 Ru P3 98.36(3) . . ?
C4 Ru Cl3 158.02(8) . . ?
C5 Ru Cl3 135.75(8) . . ?
C3 Ru Cl3 122.31(8) . . ?
C2 Ru Cl3 95.38(8) . . ?
C1 Ru Cl3 101.58(8) . . ?
P2 Ru Cl3 89.84(2) . . ?
P3 Ru Cl3 88.73(2) . . ?
Pt Cl3 Ru 105.21(3) . . ?
C11 P1 C21 104.65(13) . . ?
C11 P1 C6 104.01(12) . . ?
C21 P1 C6 102.94(12) . . ?
C11 P1 Pt 110.33(10) . . ?
C21 P1 Pt 119.82(9) . . ?
C6 P1 Pt 113.58(8) . . ?
C41 P2 C31 100.85(12) . . ?
C41 P2 C6 102.50(12) . . ?
C31 P2 C6 101.16(12) . . ?
C41 P2 Ru 113.76(9) . . ?
C31 P2 Ru 116.86(9) . . ?
C6 P2 Ru 119.08(9) . . ?
C61 P3 C71 102.80(12) . . ?
C61 P3 C51 99.00(12) . . ?
C71 P3 C51 102.56(12) . . ?
C61 P3 Ru 125.22(9) . . ?
C71 P3 Ru 109.96(8) . . ?
C51 P3 Ru 114.51(9) . . ?
C5 C1 C2 107.3(3) . . ?
C5 C1 Ru 69.99(15) . . ?
C2 C1 Ru 71.13(15) . . ?
C5 C1 H1A 126.3 . . ?
C2 C1 H1A 126.3 . . ?
Ru C1 H1A 126.3 . . ?
C3 C2 C1 108.6(3) . . ?
C3 C2 Ru 71.29(15) . . ?
C1 C2 Ru 71.49(15) . . ?
C3 C2 H2A 125.7 . . ?
C1 C2 H2A 125.7 . . ?
Ru C2 H2A 125.7 . . ?
C2 C3 C4 108.1(3) . . ?
C2 C3 Ru 71.67(15) . . ?
C4 C3 Ru 69.54(15) . . ?
C2 C3 H3A 125.9 . . ?
C4 C3 H3A 125.9 . . ?
Ru C3 H3A 125.9 . . ?
C3 C4 C5 107.7(3) . . ?
C3 C4 Ru 72.78(16) . . ?
C5 C4 Ru 71.69(15) . . ?
C3 C4 H4A 126.0 . . ?
C5 C4 H4A 126.0 . . ?
Ru C4 H4A 126.0 . . ?
C1 C5 C4 108.3(3) . . ?
C1 C5 Ru 72.51(15) . . ?
C4 C5 Ru 70.23(15) . . ?
C1 C5 H5A 125.8 . . ?
C4 C5 H5A 125.8 . . ?
Ru C5 H5A 125.8 . . ?
P1 C6 P2 119.08(13) . . ?
P1 C6 H6A 107.5 . . ?
P2 C6 H6A 107.5 . . ?
P1 C6 H6B 107.5 . . ?
P2 C6 H6B 107.5 . . ?
H6A C6 H6B 107.0 . . ?
C16 C11 C12 118.8(3) . . ?
C16 C11 P1 122.1(2) . . ?
C12 C11 P1 119.1(2) . . ?
C13 C12 C11 120.2(3) . . ?
C13 C12 H12A 119.9 . . ?
C11 C12 H12A 119.9 . . ?
C14 C13 C12 120.5(3) . . ?
C14 C13 H13A 119.7 . . ?
C12 C13 H13A 119.7 . . ?
C15 C14 C13 119.8(3) . . ?
C15 C14 H14A 120.1 . . ?
C13 C14 H14A 120.1 . . ?
C14 C15 C16 120.1(3) . . ?
C14 C15 H15A 120.0 . . ?
C16 C15 H15A 120.0 . . ?
C15 C16 C11 120.5(3) . . ?
C15 C16 H16A 119.7 . . ?
C11 C16 H16A 119.7 . . ?
C22 C21 C26 118.5(3) . . ?
C22 C21 P1 119.6(2) . . ?
C26 C21 P1 121.9(2) . . ?
C21 C22 C23 121.3(3) . . ?
C21 C22 H22A 119.4 . . ?
C23 C22 H22A 119.4 . . ?
C24 C23 C22 119.7(3) . . ?
C24 C23 H23A 120.1 . . ?
C22 C23 H23A 120.1 . . ?
C23 C24 C25 119.5(3) . . ?
C23 C24 H24A 120.2 . . ?
C25 C24 H24A 120.2 . . ?
C24 C25 C26 120.8(3) . . ?
C24 C25 H25A 119.6 . . ?
C26 C25 H25A 119.6 . . ?
C21 C26 C25 120.2(3) . . ?
C21 C26 H26A 119.9 . . ?
C25 C26 H26A 119.9 . . ?
C36 C31 C32 118.6(3) . . ?
C36 C31 P2 121.8(2) . . ?
C32 C31 P2 119.4(2) . . ?
C33 C32 C31 120.6(3) . . ?
C33 C32 H32A 119.7 . . ?
C31 C32 H32A 119.7 . . ?
C34 C33 C32 120.3(3) . . ?
C34 C33 H33A 119.8 . . ?
C32 C33 H33A 119.8 . . ?
C35 C34 C33 119.1(3) . . ?
C35 C34 H34A 120.4 . . ?
C33 C34 H34A 120.4 . . ?
C34 C35 C36 120.8(3) . . ?
C34 C35 H35A 119.6 . . ?
C36 C35 H35A 119.6 . . ?
C35 C36 C31 120.6(3) . . ?
C35 C36 H36A 119.7 . . ?
C31 C36 H36A 119.7 . . ?
C42 C41 C46 118.6(2) . . ?
C42 C41 P2 123.8(2) . . ?
C46 C41 P2 117.4(2) . . ?
C41 C42 C43 120.3(3) . . ?
C41 C42 H42A 119.9 . . ?
C43 C42 H42A 119.9 . . ?
C44 C43 C42 120.3(3) . . ?
C44 C43 H43A 119.9 . . ?
C42 C43 H43A 119.9 . . ?
C45 C44 C43 119.8(3) . . ?
C45 C44 H44A 120.1 . . ?
C43 C44 H44A 120.1 . . ?
C44 C45 C46 120.0(3) . . ?
C44 C45 H45A 120.0 . . ?
C46 C45 H45A 120.0 . . ?
C45 C46 C41 120.9(3) . . ?
C45 C46 H46A 119.5 . . ?
C41 C46 H46A 119.5 . . ?
C52 C51 C56 118.7(3) . . ?
C52 C51 P3 121.0(2) . . ?
C56 C51 P3 120.3(2) . . ?
C53 C52 C51 120.3(3) . . ?
C53 C52 H52A 119.9 . . ?
C51 C52 H52A 119.9 . . ?
C52 C53 C54 120.2(3) . . ?
C52 C53 H53A 119.9 . . ?
C54 C53 H53A 119.9 . . ?
C55 C54 C53 119.9(3) . . ?
C55 C54 H54A 120.0 . . ?
C53 C54 H54A 120.0 . . ?
C54 C55 C56 120.3(3) . . ?
C54 C55 H55A 119.9 . . ?
C56 C55 H55A 119.9 . . ?
C55 C56 C51 120.6(3) . . ?
C55 C56 H56A 119.7 . . ?
C51 C56 H56A 119.7 . . ?
C62 C61 C66 118.0(2) . . ?
C62 C61 P3 118.0(2) . . ?
C66 C61 P3 123.9(2) . . ?
C63 C62 C61 120.7(3) . . ?
C63 C62 H62A 119.6 . . ?
C61 C62 H62A 119.6 . . ?
C64 C63 C62 120.1(3) . . ?
C64 C63 H63A 119.9 . . ?
C62 C63 H63A 119.9 . . ?
C65 C64 C63 120.1(3) . . ?
C65 C64 H64A 120.0 . . ?
C63 C64 H64A 120.0 . . ?
C64 C65 C66 120.1(3) . . ?
C64 C65 H65A 119.9 . . ?
C66 C65 H65A 119.9 . . ?
C65 C66 C61 120.9(3) . . ?
C65 C66 H66A 119.6 . . ?
C61 C66 H66A 119.6 . . ?
C72 C71 C76 118.9(3) . . ?
C72 C71 P3 122.8(2) . . ?
C76 C71 P3 118.1(2) . . ?
C73 C72 C71 119.8(3) . . ?
C73 C72 H72A 120.1 . . ?
C71 C72 H72A 120.1 . . ?
C74 C73 C72 120.7(3) . . ?
C74 C73 H73A 119.6 . . ?
C72 C73 H73A 119.6 . . ?
C73 C74 C75 120.2(3) . . ?
C73 C74 H74A 119.9 . . ?
C75 C74 H74A 119.9 . . ?
C74 C75 C76 120.0(3) . . ?
C74 C75 H75A 120.0 . . ?
C76 C75 H75A 120.0 . . ?
C75 C76 C71 120.3(3) . . ?
C75 C76 H76A 119.8 . . ?
C71 C76 H76A 119.8 . . ?
Cl5 C7 Cl4 111.36(18) . . ?
Cl5 C7 H7A 109.4 . . ?
Cl4 C7 H7A 109.4 . . ?
Cl5 C7 H7B 109.4 . . ?
Cl4 C7 H7B 109.4 . . ?
H7A C7 H7B 108.0 . . ?
Cl7' C8 Cl6 121.2(5) . . ?
Cl7' C8 Cl7 19.4(5) . . ?
Cl6 C8 Cl7 108.81(19) . . ?
Cl9 C9 Cl9" 9.0(14) . . ?
Cl9 C9 Cl9' 24.0(6) . . ?
Cl9" C9 Cl9' 27.9(6) . . ?
Cl9 C9 Cl8 106.0(6) . . ?
Cl9" C9 Cl8 109.6(6) . . ?
Cl9' C9 Cl8 122.9(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
Pt P1 2.2173(7) . ?
Pt Cl1 2.2882(7) . ?
Pt Cl3 2.3179(7) . ?
Pt Cl2 2.3717(7) . ?
Ru C4 2.172(3) . ?
Ru C5 2.192(3) . ?
Ru C3 2.215(3) . ?
Ru C2 2.220(3) . ?
Ru C1 2.225(3) . ?
Ru P2 2.3055(7) . ?
Ru P3 2.3399(7) . ?
Ru Cl3 2.4438(7) . ?
P1 C11 1.823(3) . ?
P1 C21 1.826(3) . ?
P1 C6 1.853(3) . ?
P2 C41 1.833(3) . ?
P2 C31 1.844(3) . ?
P2 C6 1.855(3) . ?
P3 C61 1.834(3) . ?
P3 C71 1.835(3) . ?
P3 C51 1.839(3) . ?
C1 C5 1.420(4) . ?
C1 C2 1.424(4) . ?
C1 H1A 0.9800 . ?
C2 C3 1.409(4) . ?
C2 H2A 0.9800 . ?
C3 C4 1.417(4) . ?
C3 H3A 0.9800 . ?
C4 C5 1.424(4) . ?
C4 H4A 0.9800 . ?
C5 H5A 0.9800 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C11 C16 1.388(4) . ?
C11 C12 1.388(4) . ?
C12 C13 1.380(4) . ?
C12 H12A 0.9300 . ?
C13 C14 1.378(5) . ?
C13 H13A 0.9300 . ?
C14 C15 1.374(5) . ?
C14 H14A 0.9300 . ?
C15 C16 1.385(4) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C21 C22 1.386(4) . ?
C21 C26 1.386(4) . ?
C22 C23 1.390(4) . ?
C22 H22A 0.9300 . ?
C23 C24 1.376(4) . ?
C23 H23A 0.9300 . ?
C24 C25 1.378(4) . ?
C24 H24A 0.9300 . ?
C25 C26 1.389(4) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C31 C36 1.391(4) . ?
C31 C32 1.396(4) . ?
C32 C33 1.391(4) . ?
C32 H32A 0.9300 . ?
C33 C34 1.389(4) . ?
C33 H33A 0.9300 . ?
C34 C35 1.384(4) . ?
C34 H34A 0.9300 . ?
C35 C36 1.386(4) . ?
C35 H35A 0.9300 . ?
C36 H36A 0.9300 . ?
C41 C42 1.389(4) . ?
C41 C46 1.392(4) . ?
C42 C43 1.390(4) . ?
C42 H42A 0.9300 . ?
C43 C44 1.390(5) . ?
C43 H43A 0.9300 . ?
C44 C45 1.370(4) . ?
C44 H44A 0.9300 . ?
C45 C46 1.389(4) . ?
C45 H45A 0.9300 . ?
C46 H46A 0.9300 . ?
C51 C52 1.394(4) . ?
C51 C56 1.399(4) . ?
C52 C53 1.384(4) . ?
C52 H52A 0.9300 . ?
C53 C54 1.392(4) . ?
C53 H53A 0.9300 . ?
C54 C55 1.373(4) . ?
C54 H54A 0.9300 . ?
C55 C56 1.381(4) . ?
C55 H55A 0.9300 . ?
C56 H56A 0.9300 . ?
C61 C62 1.394(4) . ?
C61 C66 1.395(4) . ?
C62 C63 1.381(4) . ?
C62 H62A 0.9300 . ?
C63 C64 1.381(5) . ?
C63 H63A 0.9300 . ?
C64 C65 1.368(4) . ?
C64 H64A 0.9300 . ?
C65 C66 1.384(4) . ?
C65 H65A 0.9300 . ?
C66 H66A 0.9300 . ?
C71 C72 1.394(4) . ?
C71 C76 1.396(4) . ?
C72 C73 1.392(4) . ?
C72 H72A 0.9300 . ?
C73 C74 1.365(5) . ?
C73 H73A 0.9300 . ?
C74 C75 1.380(4) . ?
C74 H74A 0.9300 . ?
C75 C76 1.388(4) . ?
C75 H75A 0.9300 . ?
C76 H76A 0.9300 . ?
C7 Cl5 1.746(3) . ?
C7 Cl4 1.748(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 Cl7' 1.743(4) . ?
C8 Cl6 1.754(3) . ?
C8 Cl7 1.770(3) . ?
C9 Cl9 1.746(4) . ?
C9 Cl9" 1.746(4) . ?
C9 Cl9' 1.748(4) . ?
C9 Cl8 1.755(3) . ?
