#------------------------------------------------------------------------------
#$Date: 2016-03-21 19:14:39 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178841 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/95/4109531.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_4109531
loop_
_publ_author_name
'Richard D. Adams'
'Burjor Captain'
'Eszter Trufan'
'Lei Zhu'
_publ_section_title
;
 Activation of Metal Hydride Complexes by Tri-tert-butylphosphine-Platinum
 and -Palladium Groups
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7545
_journal_page_last               7556
_journal_paper_doi               10.1021/ja070617h
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C51 H58 O4 P Pt Ru Sn'
_chemical_formula_weight         1180.79
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.2060(10)
_cell_angle_beta                 90.7390(10)
_cell_angle_gamma                104.0880(10)
_cell_formula_units_Z            2
_cell_length_a                   12.9837(3)
_cell_length_b                   13.3071(3)
_cell_length_c                   14.9483(4)
_cell_measurement_reflns_used    8411
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      27.32
_cell_measurement_theta_min      2.26
_cell_volume                     2476.32(10)
_computing_cell_refinement       'SAINT+  V6.45 (Bruker, 2003)'
_computing_data_collection       'SMART V5.632 (Bruker, 2005)'
_computing_data_reduction        'SAINT+  V6.45'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       '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  0.0240
_diffrn_reflns_av_sigmaI/netI    0.0353
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            26331
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.38
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    3.692
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.755
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_description       block
_exptl_crystal_F_000             1166
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.174
_refine_diff_density_min         -0.494
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     503
_refine_ls_number_reflns         12233
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0339
_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)+(0.0409P)²+0.7400P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0773
_refine_ls_wR_factor_ref         0.0840
_reflns_number_gt                9883
_reflns_number_total             12233
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja070617hsi20070127_041602.cif
_cod_data_source_block           p-1
_cod_original_cell_volume        2476.31(10)
_cod_database_code               4109531
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt1 Pt 0.572138(12) 0.103514(12) 0.258290(10) 0.04233(5) Uani 1 1 d .
Ru1 Ru 0.42310(2) -0.07874(2) 0.21509(2) 0.03894(7) Uani 1 1 d .
Sn1 Sn 0.24726(2) -0.01869(2) 0.259485(18) 0.04282(7) Uani 1 1 d .
P1 P 0.74290(8) 0.21759(8) 0.28443(7) 0.0414(2) Uani 1 1 d .
O11 O 0.4186(3) -0.1199(4) 0.4113(3) 0.0934(13) Uani 1 1 d .
O12 O 0.3049(4) -0.2964(3) 0.1287(3) 0.1061(15) Uani 1 1 d .
O13 O 0.4085(3) 0.0307(3) 0.0503(2) 0.0812(11) Uani 1 1 d .
O21 O 0.4397(3) 0.2551(3) 0.2349(4) 0.1115(17) Uani 1 1 d .
C1 C 0.5990(3) -0.0412(3) 0.2444(3) 0.0424(8) Uani 1 1 d .
C2 C 0.5878(3) -0.1050(3) 0.1621(3) 0.0449(9) Uani 1 1 d .
C11 C 0.4207(3) -0.1060(4) 0.3378(3) 0.0572(11) Uani 1 1 d .
C12 C 0.3459(4) -0.2149(4) 0.1622(3) 0.0619(12) Uani 1 1 d .
C13 C 0.4152(3) -0.0102(4) 0.1118(3) 0.0535(10) Uani 1 1 d .
C21 C 0.4921(4) 0.2022(4) 0.2507(4) 0.0637(13) Uani 1 1 d .
C23 C 0.6021(3) -0.2134(3) 0.1434(3) 0.0472(9) Uani 1 1 d .
C24 C 0.6149(5) -0.2547(4) 0.0562(4) 0.0838(17) Uani 1 1 d .
H24 H 0.6147 -0.2145 0.0102 0.101 Uiso 1 1 calc R
C25 C 0.6284(7) -0.3566(5) 0.0350(5) 0.111(2) Uani 1 1 d .
H25 H 0.6355 -0.3840 -0.0248 0.133 Uiso 1 1 calc R
C26 C 0.6311(6) -0.4149(5) 0.1012(6) 0.102(2) Uani 1 1 d .
H26 H 0.6414 -0.4821 0.0876 0.122 Uiso 1 1 calc R
C27 C 0.6186(5) -0.3746(4) 0.1887(5) 0.0858(18) Uani 1 1 d .
H27 H 0.6196 -0.4150 0.2345 0.103 Uiso 1 1 calc R
C28 C 0.6045(4) -0.2749(4) 0.2097(4) 0.0656(13) Uani 1 1 d .
H28 H 0.5964 -0.2487 0.2696 0.079 Uiso 1 1 calc R
C29 C 0.1100(3) -0.1477(3) 0.2662(3) 0.0511(10) Uani 1 1 d .
C30 C 0.1136(4) -0.2258(4) 0.3172(3) 0.0664(13) Uani 1 1 d .
H30 H 0.1773 -0.2252 0.3466 0.080 Uiso 1 1 calc R
C31 C 0.0233(5) -0.3055(4) 0.3255(4) 0.0843(17) Uani 1 1 d .
H31 H 0.0272 -0.3579 0.3594 0.101 Uiso 1 1 calc R
C32 C -0.0721(4) -0.3057(4) 0.2827(4) 0.0790(17) Uani 1 1 d .
H32 H -0.1328 -0.3582 0.2882 0.095 Uiso 1 1 calc R
C33 C -0.0768(4) -0.2295(4) 0.2331(4) 0.0749(15) Uani 1 1 d .
H33 H -0.1408 -0.2299 0.2043 0.090 Uiso 1 1 calc R
C34 C 0.0122(4) -0.1514(4) 0.2247(4) 0.0637(12) Uani 1 1 d .
H34 H 0.0070 -0.0997 0.1904 0.076 Uiso 1 1 calc R
C35 C 0.1918(3) 0.0708(3) 0.1680(3) 0.0471(9) Uani 1 1 d .
C36 C 0.1590(4) 0.0261(4) 0.0799(3) 0.0650(12) Uani 1 1 d .
H36 H 0.1599 -0.0433 0.0606 0.078 Uiso 1 1 calc R
C37 C 0.1247(5) 0.0829(6) 0.0196(4) 0.0846(17) Uani 1 1 d .
H37 H 0.1028 0.0518 -0.0395 0.101 Uiso 1 1 calc R
C38 C 0.1235(5) 0.1853(6) 0.0480(4) 0.0863(18) Uani 1 1 d .
H38 H 0.1000 0.2235 0.0082 0.104 Uiso 1 1 calc R
C39 C 0.1564(4) 0.2309(4) 0.1341(4) 0.0761(15) Uani 1 1 d .
H39 H 0.1564 0.3006 0.1529 0.091 Uiso 1 1 calc R
C40 C 0.1900(4) 0.1735(4) 0.1937(3) 0.0601(11) Uani 1 1 d .
H40 H 0.2119 0.2054 0.2527 0.072 Uiso 1 1 calc R
C41 C 0.2534(3) 0.0731(3) 0.3923(3) 0.0482(9) Uani 1 1 d .
C42 C 0.1583(4) 0.0819(4) 0.4312(3) 0.0590(11) Uani 1 1 d .
H42 H 0.0939 0.0462 0.4008 0.071 Uiso 1 1 calc R
C43 C 0.1582(4) 0.1421(5) 0.5133(3) 0.0700(14) Uani 1 1 d .
H43 H 0.0939 0.1467 0.5381 0.084 Uiso 1 1 calc R
C44 C 0.2511(5) 0.1954(5) 0.5591(3) 0.0788(16) Uani 1 1 d .
H44 H 0.2503 0.2373 0.6143 0.095 Uiso 1 1 calc R
C45 C 0.3458(4) 0.1871(4) 0.5236(3) 0.0723(14) Uani 1 1 d .
H45 H 0.4095 0.2222 0.5552 0.087 Uiso 1 1 calc R
C46 C 0.3468(4) 0.1263(4) 0.4405(3) 0.0576(11) Uani 1 1 d .
H46 H 0.4115 0.1211 0.4168 0.069 Uiso 1 1 calc R
C47 C 0.7848(4) 0.2656(4) 0.1732(3) 0.0600(11) Uani 1 1 d .
C48 C 0.7788(12) 0.1725(6) 0.1022(5) 0.223(7) Uani 1 1 d .
H48A H 0.7074 0.1293 0.0957 0.334 Uiso 1 1 calc R
H48B H 0.8263 0.1328 0.1197 0.334 Uiso 1 1 calc R
H48C H 0.7989 0.1958 0.0456 0.334 Uiso 1 1 calc R
C49 C 0.8952(6) 0.3371(8) 0.1756(5) 0.145(4) Uani 1 1 d .
H49A H 0.9074 0.3613 0.1182 0.217 Uiso 1 1 calc R
H49B H 0.9468 0.2993 0.1877 0.217 Uiso 1 1 calc R
H49C H 0.9015 0.3960 0.2223 0.217 Uiso 1 1 calc R
C50 C 0.7102(7) 0.3246(9) 0.1417(6) 0.164(5) Uani 1 1 d .
H50A H 0.7245 0.3366 0.0808 0.247 Uiso 1 1 calc R
H50B H 0.7200 0.3907 0.1804 0.247 Uiso 1 1 calc R
H50C H 0.6382 0.2845 0.1437 0.247 Uiso 1 1 calc R
C51 C 0.7423(4) 0.3365(4) 0.3739(3) 0.0596(11) Uani 1 1 d .
C52 C 0.8461(5) 0.4140(6) 0.3955(7) 0.160(5) Uani 1 1 d .
H52A H 0.8728 0.4396 0.3412 0.240 Uiso 1 1 calc R
H52B H 0.8956 0.3812 0.4204 0.240 Uiso 1 1 calc R
H52C H 0.8369 0.4715 0.4387 0.240 Uiso 1 1 calc R
C53 C 0.6666(7) 0.3958(6) 0.3471(7) 0.172(5) Uani 1 1 d .
H53A H 0.7012 0.4457 0.3097 0.259 Uiso 1 1 calc R
H53B H 0.6435 0.4320 0.4003 0.259 Uiso 1 1 calc R
H53C H 0.6062 0.3481 0.3140 0.259 Uiso 1 1 calc R
C54 C 0.7020(11) 0.2975(6) 0.4593(5) 0.217(7) Uani 1 1 d .
H54A H 0.7561 0.2737 0.4882 0.326 Uiso 1 1 calc R
H54B H 0.6399 0.2406 0.4450 0.326 Uiso 1 1 calc R
H54C H 0.6842 0.3533 0.4992 0.326 Uiso 1 1 calc R
C55 C 0.8439(4) 0.1506(4) 0.3265(4) 0.0670(13) Uani 1 1 d .
C56 C 0.8024(7) 0.1043(7) 0.4109(5) 0.133(3) Uani 1 1 d .
H56A H 0.8306 0.0450 0.4165 0.199 Uiso 1 1 calc R
H56B H 0.7262 0.0824 0.4057 0.199 Uiso 1 1 calc R
H56C H 0.8244 0.1563 0.4635 0.199 Uiso 1 1 calc R
C57 C 0.8543(5) 0.0588(5) 0.2559(5) 0.114(3) Uani 1 1 d .
H57A H 0.8923 0.0852 0.2061 0.171 Uiso 1 1 calc R
H57B H 0.7848 0.0173 0.2345 0.171 Uiso 1 1 calc R
H57C H 0.8923 0.0162 0.2828 0.171 Uiso 1 1 calc R
C58 C 0.9574(4) 0.2201(5) 0.3459(6) 0.112(3) Uani 1 1 d .
H58A H 1.0031 0.1792 0.3644 0.167 Uiso 1 1 calc R
H58B H 0.9571 0.2769 0.3932 0.167 Uiso 1 1 calc R
H58C H 0.9827 0.2476 0.2921 0.167 Uiso 1 1 calc R
C1S C 0.1906(7) 0.4538(7) 0.3432(6) 0.127(3) Uiso 1 1 d .
H1S H 0.1167 0.4374 0.3413 0.152 Uiso 1 1 calc R
C2S C 0.2458(7) 0.5294(7) 0.2941(6) 0.121(3) Uiso 1 1 d .
H2S H 0.2114 0.5639 0.2580 0.145 Uiso 1 1 calc R
C3S C 0.3532(8) 0.5492(7) 0.3026(6) 0.136(3) Uiso 1 1 d .
H3S H 0.3931 0.5986 0.2702 0.163 Uiso 1 1 calc R
C4S C 0.4066(9) 0.5007(8) 0.3561(7) 0.150(3) Uiso 1 1 d .
H4S H 0.4804 0.5180 0.3627 0.180 Uiso 1 1 calc R
C5S C 0.3433(8) 0.4240(7) 0.3998(6) 0.134(3) Uiso 1 1 d .
H5S H 0.3748 0.3860 0.4347 0.161 Uiso 1 1 calc R
C6S C 0.2415(7) 0.4056(6) 0.3919(5) 0.116(2) Uiso 1 1 d .
H6S H 0.2015 0.3548 0.4228 0.139 Uiso 1 1 calc R
C7S C 0.1000(5) 0.5096(5) 0.0357(4) 0.0799(15) Uiso 1 1 d .
H7S H 0.1681 0.5163 0.0600 0.096 Uiso 1 1 calc R
C8S C 0.0399(5) 0.5741(5) 0.0719(4) 0.0809(15) Uiso 1 1 d .
H8S H 0.0674 0.6250 0.1214 0.097 Uiso 1 1 calc R
C9S C -0.0590(5) 0.5658(5) 0.0376(4) 0.0789(15) Uiso 1 1 d .
H9S H -0.0992 0.6106 0.0632 0.095 Uiso 1 1 calc R
H1 H 0.615(3) -0.073(3) 0.301(3) 0.047(11) Uiso 1 1 d .
H2 H 0.590(3) -0.074(3) 0.112(3) 0.045(11) Uiso 1 1 d .
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'
O O 0.0106 0.0060 '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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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
C21 Pt1 C1 155.81(18) . .
C21 Pt1 P1 99.38(14) . .
C1 Pt1 P1 104.16(11) . .
C21 Pt1 Ru1 101.68(14) . .
C1 Pt1 Ru1 54.38(10) . .
P1 Pt1 Ru1 158.18(3) . .
C12 Ru1 C13 97.4(2) . .
C12 Ru1 C11 96.4(2) . .
C13 Ru1 C11 161.1(2) . .
C12 Ru1 C1 121.40(18) . .
C13 Ru1 C1 101.46(16) . .
C11 Ru1 C1 82.02(16) . .
C12 Ru1 C2 93.30(18) . .
C13 Ru1 C2 86.61(16) . .
C11 Ru1 C2 105.33(16) . .
C1 Ru1 C2 34.52(14) . .
C12 Ru1 Sn1 92.82(15) . .
C13 Ru1 Sn1 84.24(12) . .
C11 Ru1 Sn1 82.33(13) . .
C1 Ru1 Sn1 143.66(10) . .
C2 Ru1 Sn1 169.58(10) . .
C12 Ru1 Pt1 164.43(15) . .
C13 Ru1 Pt1 77.29(14) . .
C11 Ru1 Pt1 92.37(15) . .
C1 Ru1 Pt1 47.24(10) . .
C2 Ru1 Pt1 71.93(10) . .
Sn1 Ru1 Pt1 101.098(12) . .
C35 Sn1 C41 104.90(16) . .
C35 Sn1 C29 103.17(17) . .
C41 Sn1 C29 101.81(16) . .
C35 Sn1 Ru1 115.82(10) . .
C41 Sn1 Ru1 115.64(11) . .
C29 Sn1 Ru1 113.79(11) . .
C55 P1 C47 109.9(2) . .
C55 P1 C51 107.2(2) . .
C47 P1 C51 108.8(2) . .
C55 P1 Pt1 112.10(15) . .
C47 P1 Pt1 107.51(16) . .
C51 P1 Pt1 111.25(15) . .
C2 C1 Pt1 122.2(3) . .
C2 C1 Ru1 78.2(2) . .
Pt1 C1 Ru1 78.39(13) . .
C2 C1 H1 117(2) . .
Pt1 C1 H1 120(2) . .
Ru1 C1 H1 109(2) . .
C1 C2 C23 127.4(4) . .
C1 C2 Ru1 67.2(2) . .
C23 C2 Ru1 119.1(3) . .
C1 C2 H2 118(3) . .
C23 C2 H2 113(3) . .
Ru1 C2 H2 99(3) . .
O11 C11 Ru1 178.2(5) . .
O12 C12 Ru1 176.3(5) . .
O13 C13 Ru1 178.7(4) . .
O21 C21 Pt1 170.9(5) . .
C24 C23 C28 117.7(4) . .
C24 C23 C2 118.9(4) . .
C28 C23 C2 123.4(4) . .
C23 C24 C25 121.2(6) . .
C23 C24 H24 119.4 . .
C25 C24 H24 119.4 . .
C26 C25 C24 120.0(6) . .
C26 C25 H25 120.0 . .
C24 C25 H25 120.0 . .
C25 C26 C27 119.5(6) . .
C25 C26 H26 120.3 . .
C27 C26 H26 120.3 . .
C26 C27 C28 120.7(6) . .
C26 C27 H27 119.6 . .
C28 C27 H27 119.6 . .
C27 C28 C23 121.0(5) . .
C27 C28 H28 119.5 . .
C23 C28 H28 119.5 . .
C30 C29 C34 117.0(4) . .
C30 C29 Sn1 121.5(3) . .
C34 C29 Sn1 121.3(3) . .
C29 C30 C31 121.3(5) . .
C29 C30 H30 119.4 . .
C31 C30 H30 119.4 . .
C32 C31 C30 119.5(6) . .
C32 C31 H31 120.3 . .
C30 C31 H31 120.3 . .
C33 C32 C31 119.8(5) . .
C33 C32 H32 120.1 . .
C31 C32 H32 120.1 . .
C32 C33 C34 120.7(5) . .
C32 C33 H33 119.7 . .
C34 C33 H33 119.7 . .
C33 C34 C29 121.8(5) . .
C33 C34 H34 119.1 . .
C29 C34 H34 119.1 . .
C40 C35 C36 117.6(4) . .
C40 C35 Sn1 122.0(3) . .
C36 C35 Sn1 120.3(3) . .
C35 C36 C37 121.2(5) . .
C35 C36 H36 119.4 . .
C37 C36 H36 119.4 . .
C38 C37 C36 119.4(5) . .
C38 C37 H37 120.3 . .
C36 C37 H37 120.3 . .
C39 C38 C37 120.3(5) . .
C39 C38 H38 119.9 . .
C37 C38 H38 119.9 . .
C38 C39 C40 119.8(5) . .
C38 C39 H39 120.1 . .
C40 C39 H39 120.1 . .
C35 C40 C39 121.6(5) . .
C35 C40 H40 119.2 . .
C39 C40 H40 119.2 . .
C46 C41 C42 117.4(4) . .
C46 C41 Sn1 123.7(3) . .
C42 C41 Sn1 118.9(3) . .
C43 C42 C41 121.0(5) . .
C43 C42 H42 119.5 . .
C41 C42 H42 119.5 . .
C44 C43 C42 120.7(5) . .
C44 C43 H43 119.6 . .
C42 C43 H43 119.6 . .
C43 C44 C45 119.8(5) . .
C43 C44 H44 120.1 . .
C45 C44 H44 120.1 . .
C44 C45 C46 119.9(5) . .
C44 C45 H45 120.0 . .
C46 C45 H45 120.0 . .
C41 C46 C45 121.2(4) . .
C41 C46 H46 119.4 . .
C45 C46 H46 119.4 . .
C50 C47 C48 107.0(7) . .
C50 C47 C49 106.4(6) . .
C48 C47 C49 108.2(7) . .
C50 C47 P1 110.9(4) . .
C48 C47 P1 108.7(4) . .
C49 C47 P1 115.3(4) . .
C47 C48 H48A 109.5 . .
C47 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C47 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C47 C49 H49A 109.5 . .
C47 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C47 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C47 C50 H50A 109.5 . .
C47 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C47 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C52 C51 C53 106.3(6) . .
C52 C51 C54 108.6(7) . .
C53 C51 C54 105.4(7) . .
C52 C51 P1 115.8(4) . .
C53 C51 P1 111.8(4) . .
C54 C51 P1 108.4(4) . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C51 C53 H53A 109.5 . .
C51 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C51 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C51 C54 H54A 109.5 . .
C51 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C51 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C56 C55 C57 106.7(5) . .
C56 C55 C58 110.4(5) . .
C57 C55 C58 105.3(5) . .
C56 C55 P1 108.3(4) . .
C57 C55 P1 110.4(4) . .
C58 C55 P1 115.3(4) . .
C55 C56 H56A 109.5 . .
C55 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C55 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C55 C57 H57A 109.5 . .
C55 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
C55 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C55 C58 H58A 109.5 . .
C55 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C55 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C6S C1S C2S 120.7(9) . .
C6S C1S H1S 119.7 . .
C2S C1S H1S 119.7 . .
C3S C2S C1S 115.3(9) . .
C3S C2S H2S 122.4 . .
C1S C2S H2S 122.4 . .
C2S C3S C4S 123.9(10) . .
C2S C3S H3S 118.1 . .
C4S C3S H3S 118.1 . .
C3S C4S C5S 115.9(10) . .
C3S C4S H4S 122.1 . .
C5S C4S H4S 122.1 . .
C6S C5S C4S 120.1(10) . .
C6S C5S H5S 120.0 . .
C4S C5S H5S 120.0 . .
C5S C6S C1S 124.2(10) . .
C5S C6S H6S 117.9 . .
C1S C6S H6S 117.9 . .
C8S C7S C9S 119.2(6) . 2_565
C8S C7S H7S 120.4 . .
C9S C7S H7S 120.4 2_565 .
C9S C8S C7S 121.3(6) . .
C9S C8S H8S 119.3 . .
C7S C8S H8S 119.3 . .
C8S C9S C7S 119.5(6) . 2_565
C8S C9S H9S 120.3 . .
C7S C9S H9S 120.3 2_565 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C21 1.876(5) .
Pt1 C1 2.022(4) .
Pt1 P1 2.3542(10) .
Pt1 Ru1 2.6981(3) .
Ru1 C12 1.897(5) .
Ru1 C13 1.916(4) .
Ru1 C11 1.920(4) .
Ru1 C1 2.239(4) .
Ru1 C2 2.377(4) .
Ru1 Sn1 2.6585(4) .
Sn1 C35 2.159(4) .
Sn1 C41 2.167(4) .
Sn1 C29 2.168(4) .
P1 C55 1.903(5) .
P1 C47 1.904(4) .
P1 C51 1.922(5) .
O11 C11 1.139(5) .
O12 C12 1.125(6) .
O13 C13 1.146(5) .
O21 C21 1.136(6) .
C1 C2 1.376(5) .
C1 H1 1.04(4) .
C2 C23 1.487(6) .
C2 H2 0.90(4) .
C23 C24 1.370(7) .
C23 C28 1.377(6) .
C24 C25 1.401(8) .
C24 H24 0.9300 .
C25 C26 1.347(10) .
C25 H25 0.9300 .
C26 C27 1.369(9) .
C26 H26 0.9300 .
C27 C28 1.375(7) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 C30 1.382(6) .
C29 C34 1.394(6) .
C30 C31 1.396(7) .
C30 H30 0.9300 .
C31 C32 1.386(8) .
C31 H31 0.9300 .
C32 C33 1.351(8) .
C32 H32 0.9300 .
C33 C34 1.373(7) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C40 1.372(6) .
C35 C36 1.381(6) .
C36 C37 1.389(7) .
C36 H36 0.9300 .
C37 C38 1.372(8) .
C37 H37 0.9300 .
C38 C39 1.357(8) .
C38 H38 0.9300 .
C39 C40 1.384(7) .
C39 H39 0.9300 .
C40 H40 0.9300 .
C41 C46 1.381(6) .
C41 C42 1.395(6) .
C42 C43 1.366(6) .
C42 H42 0.9300 .
C43 C44 1.360(8) .
C43 H43 0.9300 .
C44 C45 1.368(7) .
C44 H44 0.9300 .
C45 C46 1.383(6) .
C45 H45 0.9300 .
C46 H46 0.9300 .
C47 C50 1.497(8) .
C47 C48 1.498(8) .
C47 C49 1.512(8) .
C48 H48A 0.9600 .
C48 H48B 0.9600 .
C48 H48C 0.9600 .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C50 H50A 0.9600 .
C50 H50B 0.9600 .
C50 H50C 0.9600 .
C51 C52 1.483(8) .
C51 C53 1.485(9) .
C51 C54 1.499(8) .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
C53 H53A 0.9600 .
C53 H53B 0.9600 .
C53 H53C 0.9600 .
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C54 H54C 0.9600 .
C55 C56 1.529(8) .
C55 C57 1.530(8) .
C55 C58 1.536(7) .
C56 H56A 0.9600 .
C56 H56B 0.9600 .
C56 H56C 0.9600 .
C57 H57A 0.9600 .
C57 H57B 0.9600 .
C57 H57C 0.9600 .
C58 H58A 0.9600 .
C58 H58B 0.9600 .
C58 H58C 0.9600 .
C1S C6S 1.305(10) .
C1S C2S 1.393(11) .
C1S H1S 0.9300 .
C2S C3S 1.355(11) .
C2S H2S 0.9300 .
C3S C4S 1.375(12) .
C3S H3S 0.9300 .
C4S C5S 1.392(12) .
C4S H4S 0.9300 .
C5S C6S 1.286(10) .
C5S H5S 0.9300 .
C6S H6S 0.9300 .
C7S C8S 1.357(8) .
C7S C9S 1.379(7) 2_565
C7S H7S 0.9300 .
C8S C9S 1.350(8) .
C8S H8S 0.9300 .
C9S C7S 1.379(7) 2_565
C9S H9S 0.9300 .
