#------------------------------------------------------------------------------
#$Date: 2016-03-28 21:29:57 +0300 (Mon, 28 Mar 2016) $
#$Revision: 180567 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/23/4112328.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_4112328
loop_
_publ_author_name
'Adams, Richard D.'
'Captain, Burjor'
'Zhu, Lei'
_publ_section_title
;
 Platinum Participation in the Hydrogenation of Phenylacetylene by
 Ru₅(CO)₁₅(C)[Pt(PBut₃)]
;
_journal_coden_ASTM              JACSAT
_journal_issue                   10
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3042
_journal_page_last               3043
_journal_paper_doi               10.1021/ja049955y
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C40 H47 O12 P Pt Ru5'
_chemical_formula_weight         1451.19
_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                105.157(2)
_cell_angle_beta                 104.028(2)
_cell_angle_gamma                94.753(2)
_cell_formula_units_Z            2
_cell_length_a                   12.3991(9)
_cell_length_b                   12.6807(10)
_cell_length_c                   16.5292(12)
_cell_measurement_reflns_used    9206
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      2.21
_cell_volume                     2403.8(3)
_computing_cell_refinement       'SAINT+  V6.2 (Bruker, 2001)'
_computing_data_collection       'SMART V5.625 (Bruker, 2001)'
_computing_data_reduction        'SAINT+  V6.2'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0285
_diffrn_reflns_av_sigmaI/netI    0.0460
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24816
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    4.517
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.698
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            DarkRed
_exptl_crystal_density_diffrn    2.005
_exptl_crystal_description       Bar
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.523
_refine_diff_density_min         -0.951
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     554
_refine_ls_number_reflns         11820
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0335
_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)+(0.0304P)²+0.4499P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0741
_refine_ls_wR_factor_ref         0.0786
_reflns_number_gt                9934
_reflns_number_total             11820
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja049955ysi20040212_090833.cif
_cod_data_source_block           h2ru5pts
_cod_database_code               4112328
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 0.752606(12) 0.089989(13) 0.238681(9) 0.03995(5) Uani 1 1 d .
Ru1 Ru 0.75070(3) 0.30686(3) 0.26144(2) 0.04812(9) Uani 1 1 d .
Ru2 Ru 0.54457(2) 0.14771(3) 0.21086(2) 0.04057(8) Uani 1 1 d .
Ru3 Ru 0.63534(3) 0.12203(3) 0.36700(2) 0.04291(8) Uani 1 1 d .
Ru4 Ru 0.72236(3) 0.36325(3) 0.43348(2) 0.05744(10) Uani 1 1 d .
Ru5 Ru 0.55032(3) 0.38172(3) 0.28651(3) 0.05590(10) Uani 1 1 d .
P1 P 0.88914(8) -0.02346(9) 0.23230(7) 0.0433(2) Uani 1 1 d .
O11 O 0.7817(4) 0.2802(4) 0.0810(3) 0.0898(12) Uani 1 1 d .
O12 O 0.9485(4) 0.4889(4) 0.3459(4) 0.1254(19) Uani 1 1 d .
O21 O 0.5301(3) 0.1383(4) 0.0230(2) 0.0829(11) Uani 1 1 d .
O22 O 0.2894(3) 0.1205(4) 0.1770(3) 0.0914(13) Uani 1 1 d .
O31 O 0.7512(4) 0.0091(5) 0.4986(3) 0.1111(17) Uani 1 1 d .
O32 O 0.4487(3) 0.1400(3) 0.4514(3) 0.0885(12) Uani 1 1 d .
O41 O 0.9137(4) 0.2778(4) 0.5393(3) 0.1166(17) Uani 1 1 d .
O42 O 0.8405(6) 0.6038(4) 0.4986(4) 0.155(3) Uani 1 1 d .
O43 O 0.5944(5) 0.3915(4) 0.5692(3) 0.1156(18) Uani 1 1 d .
O51 O 0.3675(4) 0.3485(4) 0.3749(3) 0.1018(15) Uani 1 1 d .
O52 O 0.6069(5) 0.6323(4) 0.3592(4) 0.132(2) Uani 1 1 d .
O53 O 0.3859(4) 0.3706(4) 0.1131(3) 0.1092(16) Uani 1 1 d .
C1 C 0.6310(3) 0.2595(3) 0.3242(3) 0.0452(9) Uani 1 1 d .
C2 C 0.5498(3) -0.0056(3) 0.2594(2) 0.0429(9) Uani 1 1 d .
C3 C 0.6078(3) -0.0140(3) 0.1960(3) 0.0419(9) Uani 1 1 d .
C11 C 0.7701(4) 0.2885(4) 0.1480(3) 0.0601(12) Uani 1 1 d .
C12 C 0.8704(5) 0.4210(5) 0.3156(4) 0.0742(15) Uani 1 1 d .
C21 C 0.5339(4) 0.1421(4) 0.0929(3) 0.0537(11) Uani 1 1 d .
C22 C 0.3843(4) 0.1295(4) 0.1903(3) 0.0569(11) Uani 1 1 d .
C31 C 0.7098(4) 0.0511(5) 0.4488(3) 0.0663(13) Uani 1 1 d .
C32 C 0.5214(4) 0.1339(4) 0.4202(3) 0.0591(11) Uani 1 1 d .
C41 C 0.8422(5) 0.3081(5) 0.4984(4) 0.0818(17) Uani 1 1 d .
C42 C 0.7967(6) 0.5151(5) 0.4741(4) 0.095(2) Uani 1 1 d .
C43 C 0.6437(5) 0.3822(4) 0.5188(4) 0.0773(16) Uani 1 1 d .
C51 C 0.4356(5) 0.3626(4) 0.3422(4) 0.0719(15) Uani 1 1 d .
C52 C 0.5844(5) 0.5404(5) 0.3338(5) 0.0866(19) Uani 1 1 d .
C53 C 0.4491(5) 0.3762(5) 0.1761(5) 0.0756(16) Uani 1 1 d .
C61 C 0.4504(3) -0.0883(3) 0.2480(3) 0.0489(10) Uani 1 1 d .
C62 C 0.4361(5) -0.1244(4) 0.3169(4) 0.0677(13) Uani 1 1 d .
H62 H 0.4871 -0.0949 0.3716 0.081 Uiso 1 1 calc R
C63 C 0.3465(6) -0.2042(5) 0.3053(5) 0.0890(19) Uani 1 1 d .
H63 H 0.3385 -0.2292 0.3520 0.107 Uiso 1 1 calc R
C64 C 0.2692(5) -0.2470(5) 0.2254(5) 0.0881(19) Uani 1 1 d .
H64 H 0.2073 -0.2985 0.2186 0.106 Uiso 1 1 calc R
C65 C 0.2832(4) -0.2140(5) 0.1564(4) 0.0757(16) Uani 1 1 d .
H65 H 0.2324 -0.2452 0.1017 0.091 Uiso 1 1 calc R
C66 C 0.3728(4) -0.1343(4) 0.1671(3) 0.0624(12) Uani 1 1 d .
H66 H 0.3811 -0.1112 0.1197 0.075 Uiso 1 1 calc R
C71 C 0.8765(4) -0.1469(4) 0.2762(3) 0.0646(13) Uani 1 1 d .
C72 C 0.9202(5) -0.1076(6) 0.3764(4) 0.091(2) Uani 1 1 d .
H72A H 0.8881 -0.0436 0.3987 0.137 Uiso 1 1 calc R
H72B H 1.0007 -0.0890 0.3932 0.137 Uiso 1 1 calc R
H72C H 0.8991 -0.1657 0.3995 0.137 Uiso 1 1 calc R
C73 C 0.7509(5) -0.1949(5) 0.2544(4) 0.0823(18) Uani 1 1 d .
H73A H 0.7178 -0.2136 0.1926 0.123 Uiso 1 1 calc R
H73B H 0.7127 -0.1410 0.2839 0.123 Uiso 1 1 calc R
H73C H 0.7441 -0.2601 0.2731 0.123 Uiso 1 1 calc R
C74 C 0.9399(5) -0.2400(5) 0.2418(4) 0.0845(17) Uani 1 1 d .
H74A H 0.9258 -0.3004 0.2647 0.127 Uiso 1 1 calc R
H74B H 1.0192 -0.2128 0.2599 0.127 Uiso 1 1 calc R
H74C H 0.9144 -0.2651 0.1793 0.127 Uiso 1 1 calc R
C75 C 0.8779(4) -0.0749(4) 0.1108(3) 0.0609(12) Uani 1 1 d .
C76 C 0.7781(5) -0.1708(5) 0.0645(4) 0.0826(17) Uani 1 1 d .
H76A H 0.7104 -0.1471 0.0760 0.124 Uiso 1 1 calc R
H76B H 0.7928 -0.2331 0.0861 0.124 Uiso 1 1 calc R
H76C H 0.7694 -0.1917 0.0029 0.124 Uiso 1 1 calc R
C77 C 0.9836(5) -0.1145(5) 0.0879(3) 0.0767(16) Uani 1 1 d .
H77A H 1.0027 -0.1733 0.1127 0.115 Uiso 1 1 calc R
H77B H 1.0451 -0.0541 0.1110 0.115 Uiso 1 1 calc R
H77C H 0.9691 -0.1408 0.0257 0.115 Uiso 1 1 calc R
C78 C 0.8468(5) 0.0174(5) 0.0695(3) 0.0816(17) Uani 1 1 d .
H78A H 0.8389 -0.0083 0.0081 0.122 Uiso 1 1 calc R
H78B H 0.9050 0.0806 0.0957 0.122 Uiso 1 1 calc R
H78C H 0.7769 0.0377 0.0790 0.122 Uiso 1 1 calc R
C79 C 1.0343(4) 0.0645(4) 0.2907(3) 0.0628(13) Uani 1 1 d .
C80 C 1.0347(5) 0.1305(5) 0.3830(4) 0.0846(18) Uani 1 1 d .
H80A H 1.1053 0.1788 0.4110 0.127 Uiso 1 1 calc R
H80B H 1.0246 0.0803 0.4161 0.127 Uiso 1 1 calc R
H80C H 0.9746 0.1736 0.3797 0.127 Uiso 1 1 calc R
C81 C 1.1326(4) -0.0039(5) 0.2980(4) 0.0805(17) Uani 1 1 d .
H81A H 1.1356 -0.0432 0.2406 0.121 Uiso 1 1 calc R
H81B H 1.1207 -0.0557 0.3294 0.121 Uiso 1 1 calc R
H81C H 1.2023 0.0450 0.3285 0.121 Uiso 1 1 calc R
C82 C 1.0575(4) 0.1477(5) 0.2433(4) 0.0836(18) Uani 1 1 d .
H82A H 0.9967 0.1897 0.2368 0.125 Uiso 1 1 calc R
H82B H 1.0642 0.1093 0.1869 0.125 Uiso 1 1 calc R
H82C H 1.1264 0.1966 0.2763 0.125 Uiso 1 1 calc R
C90 C 0.5148(9) 0.5883(7) 0.0724(6) 0.118(3) Uani 1 1 d .
H90 H 0.5247 0.6487 0.1211 0.141 Uiso 1 1 calc R
C91 C 0.5973(7) 0.5249(8) 0.0659(7) 0.120(3) Uani 1 1 d .
H91 H 0.6637 0.5409 0.1107 0.144 Uiso 1 1 calc R
C92 C 0.5819(8) 0.4372(8) -0.0072(8) 0.122(3) Uani 1 1 d .
H92 H 0.6388 0.3945 -0.0120 0.146 Uiso 1 1 calc R
C93 C 0.1634(11) 0.4439(11) 0.2361(10) 0.204(6) Uani 1 1 d .
H93A H 0.1608 0.3787 0.2552 0.305 Uiso 1 1 calc R
H93B H 0.1501 0.5048 0.2792 0.305 Uiso 1 1 calc R
H93C H 0.2361 0.4610 0.2278 0.305 Uiso 1 1 calc R
C95 C 0.0903(12) 0.4536(13) 0.0906(11) 0.217(6) Uani 1 1 d .
H95A H 0.1169 0.3928 0.0554 0.260 Uiso 1 1 calc R
H95B H 0.1493 0.5169 0.1084 0.260 Uiso 1 1 calc R
C96 C 0.0013(15) 0.4780(15) 0.0345(11) 0.247(8) Uani 1 1 d .
H96A H -0.0339 0.5274 0.0721 0.296 Uiso 1 1 calc R
H96B H -0.0512 0.4093 0.0092 0.296 Uiso 1 1 calc R
C94 C 0.0877(13) 0.4268(18) 0.1641(12) 0.311(14) Uani 1 1 d .
H94A H 0.0252 0.4591 0.1808 0.374 Uiso 1 1 calc R
H94B H 0.0633 0.3475 0.1446 0.374 Uiso 1 1 calc R
H1 H 0.851(4) 0.216(4) 0.280(3) 0.063(13) Uiso 1 1 d .
H2 H 0.663(4) 0.401(4) 0.239(3) 0.088(17) Uiso 1 1 d .
H3 H 0.586(4) -0.069(4) 0.149(3) 0.050(12) 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'
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
C3 Pt1 P1 104.52(12) . .
C3 Pt1 Ru1 119.72(12) . .
P1 Pt1 Ru1 134.70(3) . .
C3 Pt1 Ru2 54.17(12) . .
P1 Pt1 Ru2 158.18(3) . .
Ru1 Pt1 Ru2 65.707(11) . .
C3 Pt1 Ru3 69.53(11) . .
P1 Pt1 Ru3 123.53(3) . .
Ru1 Pt1 Ru3 83.442(11) . .
Ru2 Pt1 Ru3 57.814(10) . .
C3 Pt1 H1 160.8(14) . .
P1 Pt1 H1 94.7(14) . .
Ru1 Pt1 H1 41.4(14) . .
Ru2 Pt1 H1 106.7(14) . .
Ru3 Pt1 H1 100.0(14) . .
C12 Ru1 C11 94.4(2) . .
C12 Ru1 C1 123.7(2) . .
C11 Ru1 C1 140.62(18) . .
C12 Ru1 Pt1 127.71(19) . .
C11 Ru1 Pt1 89.24(15) . .
C1 Ru1 Pt1 75.46(11) . .
C12 Ru1 Ru5 109.61(18) . .
C11 Ru1 Ru5 115.70(14) . .
C1 Ru1 Ru5 46.77(11) . .
Pt1 Ru1 Ru5 115.352(14) . .
C12 Ru1 Ru4 81.04(18) . .
C11 Ru1 Ru4 172.82(16) . .
C1 Ru1 Ru4 42.92(11) . .
Pt1 Ru1 Ru4 97.943(14) . .
Ru5 Ru1 Ru4 61.291(14) . .
C12 Ru1 Ru2 166.97(17) . .
C11 Ru1 Ru2 97.64(15) . .
C1 Ru1 Ru2 43.56(11) . .
Pt1 Ru1 Ru2 57.561(10) . .
Ru5 Ru1 Ru2 60.480(13) . .
Ru4 Ru1 Ru2 86.449(14) . .
C12 Ru1 Ru3 125.43(19) . .
C11 Ru1 Ru3 134.08(15) . .
C1 Ru1 Ru3 28.30(11) . .
Pt1 Ru1 Ru3 49.857(9) . .
Ru5 Ru1 Ru3 74.817(13) . .
Ru4 Ru1 Ru3 52.594(11) . .
Ru2 Ru1 Ru3 46.222(10) . .
C12 Ru1 H1 86.3(15) . .
C11 Ru1 H1 89.2(14) . .
C1 Ru1 H1 101.4(14) . .
Pt1 Ru1 H1 41.5(15) . .
Ru5 Ru1 H1 148.2(14) . .
Ru4 Ru1 H1 96.0(14) . .
Ru2 Ru1 H1 98.6(15) . .
Ru3 Ru1 H1 73.5(14) . .
C12 Ru1 H2 90.0(17) . .
C11 Ru1 H2 86.6(17) . .
C1 Ru1 H2 84.3(17) . .
Pt1 Ru1 H2 142.3(17) . .
Ru5 Ru1 H2 37.6(17) . .
Ru4 Ru1 H2 87.8(17) . .
Ru2 Ru1 H2 85.9(17) . .
Ru3 Ru1 H2 112.2(17) . .
H1 Ru1 H2 174(2) . .
C21 Ru2 C22 92.31(19) . .
C21 Ru2 C1 131.67(18) . .
C22 Ru2 C1 114.70(18) . .
C21 Ru2 C3 92.48(18) . .
C22 Ru2 C3 111.61(18) . .
C1 Ru2 C3 111.30(16) . .
C21 Ru2 C2 123.02(18) . .
C22 Ru2 C2 90.06(17) . .
C1 Ru2 C2 97.50(15) . .
C3 Ru2 C2 35.92(14) . .
C21 Ru2 Ru3 156.42(13) . .
C22 Ru2 Ru3 108.31(14) . .
C1 Ru2 Ru3 49.40(12) . .
C3 Ru2 Ru3 69.68(10) . .
C2 Ru2 Ru3 48.10(10) . .
C21 Ru2 Pt1 93.44(13) . .
C22 Ru2 Pt1 157.45(15) . .
C1 Ru2 Pt1 76.73(11) . .
C3 Ru2 Pt1 46.37(10) . .
C2 Ru2 Pt1 68.60(9) . .
Ru3 Ru2 Pt1 63.156(10) . .
C21 Ru2 Ru5 100.63(15) . .
C22 Ru2 Ru5 88.10(15) . .
C1 Ru2 Ru5 45.51(12) . .
C3 Ru2 Ru5 155.95(10) . .
C2 Ru2 Ru5 136.35(10) . .
Ru3 Ru2 Ru5 91.598(15) . .
Pt1 Ru2 Ru5 112.171(13) . .
C21 Ru2 Ru1 87.88(13) . .
C22 Ru2 Ru1 145.36(15) . .
C1 Ru2 Ru1 46.98(11) . .
C3 Ru2 Ru1 102.98(10) . .
C2 Ru2 Ru1 118.54(9) . .
Ru3 Ru2 Ru1 81.592(13) . .
Pt1 Ru2 Ru1 56.732(11) . .
Ru5 Ru2 Ru1 57.966(12) . .
C32 Ru3 C31 89.2(2) . .
C32 Ru3 C1 100.53(19) . .
C31 Ru3 C1 148.0(2) . .
C32 Ru3 C2 96.53(19) . .
C31 Ru3 C2 104.5(2) . .
C1 Ru3 C2 104.53(16) . .
C32 Ru3 Ru2 104.14(16) . .
C31 Ru3 Ru2 157.16(16) . .
C1 Ru3 Ru2 48.35(11) . .
C2 Ru3 Ru2 56.18(11) . .
C32 Ru3 Pt1 161.97(16) . .
C31 Ru3 Pt1 104.80(15) . .
C1 Ru3 Pt1 73.67(11) . .
C2 Ru3 Pt1 69.25(11) . .
Ru2 Ru3 Pt1 59.030(10) . .
C32 Ru3 Ru4 93.72(16) . .
C31 Ru3 Ru4 108.93(17) . .
C1 Ru3 Ru4 40.63(11) . .
C2 Ru3 Ru4 145.07(11) . .
Ru2 Ru3 Ru4 88.938(15) . .
Pt1 Ru3 Ru4 92.440(13) . .
C32 Ru3 Ru1 130.11(16) . .
C31 Ru3 Ru1 130.41(16) . .
C1 Ru3 Ru1 29.68(11) . .
C2 Ru3 Ru1 99.88(11) . .
Ru2 Ru3 Ru1 52.186(11) . .
Pt1 Ru3 Ru1 46.701(8) . .
Ru4 Ru3 Ru1 49.813(11) . .
C43 Ru4 C41 94.1(3) . .
C43 Ru4 C42 94.1(3) . .
C41 Ru4 C42 95.3(3) . .
C43 Ru4 C1 110.6(2) . .
C41 Ru4 C1 115.8(2) . .
C42 Ru4 C1 137.6(2) . .
C43 Ru4 Ru1 156.87(19) . .
C41 Ru4 Ru1 103.83(18) . .
C42 Ru4 Ru1 98.6(2) . .
C1 Ru4 Ru1 48.27(12) . .
C43 Ru4 Ru5 100.7(2) . .
C41 Ru4 Ru5 159.51(16) . .
C42 Ru4 Ru5 97.7(2) . .
C1 Ru4 Ru5 45.40(12) . .
Ru1 Ru4 Ru5 58.591(13) . .
C43 Ru4 Ru3 91.55(17) . .
C41 Ru4 Ru3 79.81(18) . .
C42 Ru4 Ru3 172.7(2) . .
C1 Ru4 Ru3 43.12(12) . .
Ru1 Ru4 Ru3 77.593(13) . .
Ru5 Ru4 Ru3 85.631(15) . .
C51 Ru5 C52 96.0(2) . .
C51 Ru5 C53 95.6(2) . .
C52 Ru5 C53 97.5(3) . .
C51 Ru5 C1 93.4(2) . .
C52 Ru5 C1 130.6(2) . .
C53 Ru5 C1 129.6(2) . .
C51 Ru5 Ru1 142.31(17) . .
C52 Ru5 Ru1 106.93(17) . .
C53 Ru5 Ru1 110.13(17) . .
C1 Ru5 Ru1 48.99(11) . .
C51 Ru5 Ru2 94.80(16) . .
C52 Ru5 Ru2 168.34(17) . .
C53 Ru5 Ru2 85.70(18) . .
C1 Ru5 Ru2 44.14(11) . .
Ru1 Ru5 Ru2 61.554(12) . .
C51 Ru5 Ru4 91.59(19) . .
C52 Ru5 Ru4 89.0(2) . .
C53 Ru5 Ru4 169.72(18) . .
C1 Ru5 Ru4 42.28(11) . .
Ru1 Ru5 Ru4 60.118(14) . .
Ru2 Ru5 Ru4 86.402(14) . .
C51 Ru5 H2 177.2(17) . .
C52 Ru5 H2 83.1(17) . .
C53 Ru5 H2 87.2(17) . .
C1 Ru5 H2 85.2(17) . .
Ru1 Ru5 H2 36.2(17) . .
Ru2 Ru5 H2 85.9(17) . .
Ru4 Ru5 H2 85.7(17) . .
C71 P1 C75 109.2(2) . .
C71 P1 C79 108.8(2) . .
C75 P1 C79 108.3(2) . .
C71 P1 Pt1 117.63(15) . .
C75 P1 Pt1 103.56(15) . .
C79 P1 Pt1 108.94(15) . .
Ru4 C1 Ru2 176.7(2) . .
Ru4 C1 Ru3 96.25(18) . .
Ru2 C1 Ru3 82.26(15) . .
Ru4 C1 Ru5 92.32(16) . .
Ru2 C1 Ru5 90.35(16) . .
Ru3 C1 Ru5 152.4(2) . .
Ru4 C1 Ru1 88.81(16) . .
Ru2 C1 Ru1 89.45(15) . .
Ru3 C1 Ru1 122.02(19) . .
Ru5 C1 Ru1 84.24(15) . .
C3 C2 C61 121.9(4) . .
C3 C2 Ru3 108.5(3) . .
C61 C2 Ru3 129.2(3) . .
C3 C2 Ru2 69.8(2) . .
C61 C2 Ru2 125.4(3) . .
Ru3 C2 Ru2 75.71(13) . .
C2 C3 Pt1 112.5(3) . .
C2 C3 Ru2 74.3(2) . .
Pt1 C3 Ru2 79.46(15) . .
C2 C3 H3 119(3) . .
Pt1 C3 H3 127(3) . .
Ru2 C3 H3 124(3) . .
O11 C11 Ru1 178.4(5) . .
O12 C12 Ru1 175.8(5) . .
O21 C21 Ru2 178.4(4) . .
O22 C22 Ru2 178.3(5) . .
O31 C31 Ru3 177.7(5) . .
O32 C32 Ru3 178.4(5) . .
O41 C41 Ru4 177.8(5) . .
O42 C42 Ru4 179.3(8) . .
O43 C43 Ru4 178.4(6) . .
O51 C51 Ru5 178.3(5) . .
O52 C52 Ru5 177.3(6) . .
O53 C53 Ru5 176.5(5) . .
C62 C61 C66 118.3(4) . .
C62 C61 C2 120.6(4) . .
C66 C61 C2 121.0(4) . .
C61 C62 C63 120.4(5) . .
C61 C62 H62 119.8 . .
C63 C62 H62 119.8 . .
C64 C63 C62 120.5(6) . .
C64 C63 H63 119.8 . .
C62 C63 H63 119.8 . .
C65 C64 C63 119.9(5) . .
C65 C64 H64 120.0 . .
C63 C64 H64 120.0 . .
C64 C65 C66 120.1(5) . .
C64 C65 H65 119.9 . .
C66 C65 H65 119.9 . .
C65 C66 C61 120.7(5) . .
C65 C66 H66 119.7 . .
C61 C66 H66 119.7 . .
C74 C71 C72 108.2(5) . .
C74 C71 C73 108.7(5) . .
C72 C71 C73 106.4(5) . .
C74 C71 P1 115.0(4) . .
C72 C71 P1 109.2(4) . .
C73 C71 P1 109.0(3) . .
C71 C72 H72A 109.5 . .
C71 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
C71 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
C71 C73 H73A 109.5 . .
C71 C73 H73B 109.5 . .
H73A C73 H73B 109.5 . .
C71 C73 H73C 109.5 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
C71 C74 H74A 109.5 . .
C71 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
C71 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
C78 C75 C77 109.1(4) . .
C78 C75 C76 104.7(5) . .
C77 C75 C76 107.9(4) . .
C78 C75 P1 108.8(3) . .
C77 C75 P1 115.6(3) . .
C76 C75 P1 110.3(3) . .
C75 C76 H76A 109.5 . .
C75 C76 H76B 109.5 . .
H76A C76 H76B 109.5 . .
C75 C76 H76C 109.5 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
C75 C77 H77A 109.5 . .
C75 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
C75 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
C75 C78 H78A 109.5 . .
C75 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
C75 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
C82 C79 C80 107.2(5) . .
C82 C79 C81 108.0(4) . .
C80 C79 C81 108.4(4) . .
C82 C79 P1 109.9(4) . .
C80 C79 P1 109.2(3) . .
C81 C79 P1 113.9(3) . .
C79 C80 H80A 109.5 . .
C79 C80 H80B 109.5 . .
H80A C80 H80B 109.5 . .
C79 C80 H80C 109.5 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
C79 C81 H81A 109.5 . .
C79 C81 H81B 109.5 . .
H81A C81 H81B 109.5 . .
C79 C81 H81C 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
C79 C82 H82A 109.5 . .
C79 C82 H82B 109.5 . .
H82A C82 H82B 109.5 . .
C79 C82 H82C 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
C92 C90 C91 119.5(8) 2_665 .
C92 C90 H90 120.3 2_665 .
C91 C90 H90 120.3 . .
C90 C91 C92 119.5(8) . .
C90 C91 H91 120.3 . .
C92 C91 H91 120.3 . .
C90 C92 C91 121.1(8) 2_665 .
C90 C92 H92 119.5 2_665 .
C91 C92 H92 119.5 . .
C94 C93 H93A 109.5 . .
C94 C93 H93B 109.5 . .
H93A C93 H93B 109.5 . .
C94 C93 H93C 109.5 . .
H93A C93 H93C 109.5 . .
H93B C93 H93C 109.5 . .
C94 C95 C96 125.9(19) . .
C94 C95 H95A 105.8 . .
C96 C95 H95A 105.8 . .
C94 C95 H95B 105.8 . .
C96 C95 H95B 105.8 . .
H95A C95 H95B 106.2 . .
C95 C96 C96 130(2) . 2_565
C95 C96 H96A 104.7 . .
C96 C96 H96A 104.7 2_565 .
C95 C96 H96B 104.7 . .
C96 C96 H96B 104.7 2_565 .
H96A C96 H96B 105.7 . .
C93 C94 C95 131.3(16) . .
C93 C94 H94A 104.4 . .
C95 C94 H94A 104.4 . .
C93 C94 H94B 104.4 . .
C95 C94 H94B 104.4 . .
H94A C94 H94B 105.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C3 1.991(4) .
Pt1 P1 2.3146(11) .
Pt1 Ru1 2.6793(4) .
Pt1 Ru2 2.7045(4) .
Pt1 Ru3 2.8143(4) .
Pt1 H1 1.79(5) .
Ru1 C12 1.850(5) .
Ru1 C11 1.904(5) .
Ru1 C1 2.136(4) .
Ru1 Ru5 2.8161(5) .
Ru1 Ru4 2.8609(5) .
Ru1 Ru2 2.9208(5) .
Ru1 Ru3 3.6574(5) .
Ru1 H1 1.79(5) .
Ru1 H2 1.73(5) .
Ru2 C21 1.905(4) .
Ru2 C22 1.916(4) .
Ru2 C1 2.013(4) .
Ru2 C3 2.230(4) .
Ru2 C2 2.289(4) .
Ru2 Ru3 2.6694(5) .
Ru2 Ru5 2.8906(5) .
Ru3 C32 1.832(5) .
Ru3 C31 1.912(5) .
Ru3 C1 2.045(4) .
Ru3 C2 2.050(4) .
Ru3 Ru4 2.9747(6) .
Ru4 C43 1.878(6) .
Ru4 C41 1.908(7) .
Ru4 C42 1.934(6) .
Ru4 C1 1.949(4) .
Ru4 Ru5 2.8939(6) .
Ru5 C51 1.903(5) .
Ru5 C52 1.927(6) .
Ru5 C53 1.929(7) .
Ru5 C1 2.062(4) .
Ru5 H2 1.79(5) .
P1 C71 1.900(5) .
P1 C75 1.908(4) .
P1 C79 1.917(5) .
O11 C11 1.131(6) .
O12 C12 1.154(6) .
O21 C21 1.133(5) .
O22 C22 1.133(5) .
O31 C31 1.138(6) .
O32 C32 1.141(5) .
O41 C41 1.137(7) .
O42 C42 1.130(7) .
O43 C43 1.135(6) .
O51 C51 1.133(6) .
O52 C52 1.117(7) .
O53 C53 1.122(7) .
C2 C3 1.395(5) .
C2 C61 1.492(5) .
C3 H3 0.86(4) .
C61 C62 1.378(6) .
C61 C66 1.388(6) .
C62 C63 1.379(7) .
C62 H62 0.9300 .
C63 C64 1.372(9) .
C63 H63 0.9300 .
C64 C65 1.356(9) .
C64 H64 0.9300 .
C65 C66 1.384(7) .
C65 H65 0.9300 .
C66 H66 0.9300 .
C71 C74 1.534(7) .
C71 C72 1.540(7) .
C71 C73 1.543(7) .
C72 H72A 0.9600 .
C72 H72B 0.9600 .
C72 H72C 0.9600 .
C73 H73A 0.9600 .
C73 H73B 0.9600 .
C73 H73C 0.9600 .
C74 H74A 0.9600 .
C74 H74B 0.9600 .
C74 H74C 0.9600 .
C75 C78 1.533(7) .
C75 C77 1.538(6) .
C75 C76 1.550(7) .
C76 H76A 0.9600 .
C76 H76B 0.9600 .
C76 H76C 0.9600 .
C77 H77A 0.9600 .
C77 H77B 0.9600 .
C77 H77C 0.9600 .
C78 H78A 0.9600 .
C78 H78B 0.9600 .
C78 H78C 0.9600 .
C79 C82 1.517(8) .
C79 C80 1.534(7) .
C79 C81 1.553(6) .
C80 H80A 0.9600 .
C80 H80B 0.9600 .
C80 H80C 0.9600 .
C81 H81A 0.9600 .
C81 H81B 0.9600 .
C81 H81C 0.9600 .
C82 H82A 0.9600 .
C82 H82B 0.9600 .
C82 H82C 0.9600 .
C90 C92 1.353(11) 2_665
C90 C91 1.360(11) .
C90 H90 0.9300 .
C91 C92 1.373(12) .
C91 H91 0.9300 .
C92 C90 1.353(11) 2_665
C92 H92 0.9300 .
C93 C94 1.278(15) .
C93 H93A 0.9600 .
C93 H93B 0.9600 .
C93 H93C 0.9600 .
C95 C94 1.350(18) .
C95 C96 1.373(17) .
C95 H95A 0.9700 .
C95 H95B 0.9700 .
C96 C96 1.39(2) 2_565
C96 H96A 0.9700 .
C96 H96B 0.9700 .
C94 H94A 0.9700 .
C94 H94B 0.9700 .
