#------------------------------------------------------------------------------
#$Date: 2022-09-14 17:31:13 +0300 (Wed, 14 Sep 2022) $
#$Revision: 277831 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/10/08/1100873.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_1100873
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            'C38 H42 O13 P Pt Ru5'
_chemical_formula_weight         1438.13
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                92.6780(10)
_cell_angle_beta                 91.0510(10)
_cell_angle_gamma                109.9580(10)
_cell_formula_units_Z            2
_cell_length_a                   12.6218(5)
_cell_length_b                   13.3776(5)
_cell_length_c                   14.3654(5)
_cell_measurement_reflns_used    9203
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.15
_cell_measurement_theta_min      2.19
_cell_volume                     2275.91(15)
_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      293(2)
_diffrn_detector_area_resol_mean ?
_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  0.0247
_diffrn_reflns_av_sigmaI/netI    0.0372
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_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            24147
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.62
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_exptl_absorpt_coefficient_mu    4.771
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.794
_exptl_absorpt_correction_type   SADABS
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            DarkRed
_exptl_crystal_density_diffrn    2.099
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1374
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         5.424
_refine_diff_density_min         -2.445
_refine_diff_density_rms         0.147
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         11222
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0454
_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)+(0.0527P)²+7.9341P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1139
_refine_ls_wR_factor_ref         0.1227
_reflns_number_gt                9150
_reflns_number_total             11222
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050175nsi20050310_030426.cif
_cod_data_source_block           bcru5pts
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               1100873
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.75970(2) 0.46562(2) 0.224446(17) 0.05137(9) Uani 1 1 d . . .
Ru1 Ru 0.78415(5) 0.56492(4) 0.39389(3) 0.04791(13) Uani 1 1 d . . .
Ru2 Ru 0.91658(4) 0.67774(4) 0.23658(3) 0.04235(12) Uani 1 1 d . . .
Ru3 Ru 0.70108(4) 0.66478(4) 0.23858(3) 0.04232(12) Uani 1 1 d . . .
Ru4 Ru 0.72579(5) 0.74594(5) 0.43174(4) 0.05234(14) Uani 1 1 d . . .
Ru5 Ru 0.95839(5) 0.75695(4) 0.42943(4) 0.05042(13) Uani 1 1 d . . .
P1 P 0.70796(18) 0.30196(15) 0.14298(14) 0.0582(4) Uani 1 1 d . . .
O11 O 0.9486(6) 0.4411(5) 0.3904(4) 0.0821(17) Uani 1 1 d . . .
O12 O 0.7804(7) 0.5528(6) 0.6049(4) 0.094(2) Uani 1 1 d . . .
O13 O 0.5365(5) 0.4245(6) 0.3847(5) 0.0872(18) Uani 1 1 d . . .
O21 O 1.1056(6) 0.5836(6) 0.2244(6) 0.102(2) Uani 1 1 d . . .
O22 O 1.0693(6) 0.8864(5) 0.1729(5) 0.095(2) Uani 1 1 d . . .
O31 O 0.4559(5) 0.5285(6) 0.2010(5) 0.098(2) Uani 1 1 d . . .
O32 O 0.6501(7) 0.8553(5) 0.1800(5) 0.100(2) Uani 1 1 d . . .
O41 O 0.4710(6) 0.6544(7) 0.4098(5) 0.102(2) Uani 1 1 d . . .
O42 O 0.7137(6) 0.7709(7) 0.6439(4) 0.100(2) Uani 1 1 d . . .
O43 O 0.7668(7) 0.9773(6) 0.3954(6) 0.104(2) Uani 1 1 d . . .
O51 O 1.0817(7) 0.9886(5) 0.3950(6) 0.103(2) Uani 1 1 d . . .
O52 O 0.9679(6) 0.7961(6) 0.6407(4) 0.095(2) Uani 1 1 d . . .
O53 O 1.1596(6) 0.6798(6) 0.4365(5) 0.097(2) Uani 1 1 d . . .
C1 C 0.8277(5) 0.7190(5) 0.3384(4) 0.0428(12) Uani 1 1 d . . .
C2 C 0.7900(6) 0.6473(5) 0.1203(4) 0.0475(14) Uani 1 1 d . . .
C3 C 0.8248(7) 0.5611(6) 0.1233(5) 0.0589(17) Uani 1 1 d . . .
C11 C 0.8856(7) 0.4844(6) 0.3845(5) 0.0614(18) Uani 1 1 d . . .
C12 C 0.7833(8) 0.5626(7) 0.5265(5) 0.070(2) Uani 1 1 d . . .
C13 C 0.6289(7) 0.4745(7) 0.3802(5) 0.0655(19) Uani 1 1 d . . .
C21 C 1.0371(7) 0.6200(7) 0.2283(6) 0.0659(19) Uani 1 1 d . . .
C22 C 1.0117(7) 0.8069(6) 0.1955(5) 0.0603(17) Uani 1 1 d . . .
C31 C 0.5478(7) 0.5800(7) 0.2140(6) 0.0642(19) Uani 1 1 d . . .
C32 C 0.6700(7) 0.7822(6) 0.2005(5) 0.0612(18) Uani 1 1 d . . .
C41 C 0.5658(8) 0.6888(8) 0.4151(6) 0.074(2) Uani 1 1 d . . .
C42 C 0.7183(7) 0.7601(8) 0.5656(5) 0.072(2) Uani 1 1 d . . .
C43 C 0.7464(7) 0.8906(7) 0.4105(6) 0.069(2) Uani 1 1 d . . .
C51 C 1.0373(7) 0.9026(6) 0.4088(5) 0.0659(19) Uani 1 1 d . . .
C52 C 0.9625(7) 0.7798(7) 0.5617(5) 0.0654(19) Uani 1 1 d . . .
C53 C 1.0855(7) 0.7092(7) 0.4329(6) 0.068(2) Uani 1 1 d . . .
C61 C 0.8023(6) 0.7098(6) 0.0352(4) 0.0568(17) Uani 1 1 d . . .
C62 C 0.8388(8) 0.8202(6) 0.0379(5) 0.073(2) Uani 1 1 d . . .
H62 H 0.8562 0.8577 0.0955 0.088 Uiso 1 1 calc R . .
C63 C 0.8504(10) 0.8762(8) -0.0416(6) 0.090(3) Uani 1 1 d . . .
H63 H 0.8754 0.9503 -0.0375 0.108 Uiso 1 1 calc R . .
C64 C 0.8242(11) 0.8208(9) -0.1275(7) 0.104(4) Uani 1 1 d . . .
H64 H 0.8317 0.8575 -0.1818 0.125 Uiso 1 1 calc R . .
C65 C 0.7877(10) 0.7133(9) -0.1322(5) 0.095(3) Uani 1 1 d . . .
H65 H 0.7705 0.6764 -0.1901 0.114 Uiso 1 1 calc R . .
C66 C 0.7755(8) 0.6569(7) -0.0523(5) 0.072(2) Uani 1 1 d . . .
H66 H 0.7491 0.5828 -0.0573 0.086 Uiso 1 1 calc R . .
C71 C 0.6041(17) 0.2850(12) 0.0447(16) 0.218(13) Uani 1 1 d . . .
C72 C 0.5411(14) 0.3563(13) 0.0510(11) 0.165(8) Uani 1 1 d . . .
H72A H 0.5099 0.3607 -0.0095 0.248 Uiso 1 1 calc R . .
H72B H 0.5901 0.4257 0.0734 0.248 Uiso 1 1 calc R . .
H72C H 0.4812 0.3301 0.0934 0.248 Uiso 1 1 calc R . .
C73 C 0.7016(16) 0.3478(12) -0.0513(8) 0.148(6) Uani 1 1 d . . .
H73A H 0.6623 0.3259 -0.1107 0.223 Uiso 1 1 calc R . .
H73B H 0.7662 0.3253 -0.0494 0.223 Uiso 1 1 calc R . .
H73C H 0.7258 0.4239 -0.0424 0.223 Uiso 1 1 calc R . .
C74 C 0.5394(12) 0.1725(10) 0.0074(11) 0.141(6) Uani 1 1 d . . .
H74A H 0.4648 0.1501 0.0311 0.211 Uiso 1 1 calc R . .
H74B H 0.5776 0.1257 0.0270 0.211 Uiso 1 1 calc R . .
H74C H 0.5348 0.1704 -0.0595 0.211 Uiso 1 1 calc R . .
C75 C 0.8363(11) 0.2703(10) 0.1002(8) 0.105(4) Uani 1 1 d . . .
C76 C 0.9256(11) 0.3603(12) 0.0682(13) 0.149(6) Uani 1 1 d . . .
H76A H 0.9847 0.3372 0.0449 0.223 Uiso 1 1 calc R . .
H76B H 0.9550 0.4122 0.1191 0.223 Uiso 1 1 calc R . .
H76C H 0.8965 0.3914 0.0194 0.223 Uiso 1 1 calc R . .
C77 C 0.8119(11) 0.1688(10) 0.0366(9) 0.117(4) Uani 1 1 d . . .
H77A H 0.7693 0.1736 -0.0180 0.175 Uiso 1 1 calc R . .
H77B H 0.7694 0.1080 0.0696 0.175 Uiso 1 1 calc R . .
H77C H 0.8818 0.1614 0.0185 0.175 Uiso 1 1 calc R . .
C78 C 0.8959(14) 0.2464(15) 0.1971(10) 0.165(7) Uani 1 1 d . . .
H78A H 0.9448 0.2073 0.1811 0.248 Uiso 1 1 calc R . .
H78B H 0.8383 0.2054 0.2365 0.248 Uiso 1 1 calc R . .
H78C H 0.9390 0.3127 0.2295 0.248 Uiso 1 1 calc R . .
C79 C 0.6444(15) 0.2002(8) 0.2297(10) 0.138(6) Uani 1 1 d . . .
C80 C 0.4963(15) 0.2129(15) 0.2204(18) 0.267(16) Uani 1 1 d . . .
H80A H 0.4401 0.1464 0.2338 0.400 Uiso 1 1 calc R . .
H80B H 0.4827 0.2307 0.1584 0.400 Uiso 1 1 calc R . .
H80C H 0.4926 0.2679 0.2643 0.400 Uiso 1 1 calc R . .
C81 C 0.6776(17) 0.2260(9) 0.3218(8) 0.167(8) Uani 1 1 d . . .
H81A H 0.6223 0.1803 0.3603 0.250 Uiso 1 1 calc R . .
H81B H 0.6848 0.2988 0.3366 0.250 Uiso 1 1 calc R . .
H81C H 0.7490 0.2170 0.3329 0.250 Uiso 1 1 calc R . .
C82 C 0.6164(13) 0.0840(8) 0.2023(10) 0.127(5) Uani 1 1 d . . .
H82A H 0.6843 0.0705 0.1874 0.191 Uiso 1 1 calc R . .
H82B H 0.5653 0.0652 0.1488 0.191 Uiso 1 1 calc R . .
H82C H 0.5817 0.0422 0.2531 0.191 Uiso 1 1 calc R . .
H1 H 0.879(5) 0.550(5) 0.067(4) 0.036(15) Uiso 1 1 d . . .
C90 C 0.668(2) 0.156(2) 0.7428(18) 0.277(14) Uiso 1 1 d D . .
H90A H 0.6347 0.2029 0.7158 0.415 Uiso 1 1 calc R . .
H90B H 0.7433 0.1961 0.7658 0.415 Uiso 1 1 calc R . .
H90C H 0.6237 0.1215 0.7932 0.415 Uiso 1 1 calc R . .
C91 C 0.672(3) 0.073(3) 0.670(2) 0.321(17) Uiso 1 1 d D . .
H91A H 0.6411 0.0010 0.6894 0.386 Uiso 1 1 calc R . .
H91B H 0.7466 0.0869 0.6450 0.386 Uiso 1 1 calc R . .
C92 C 0.592(3) 0.106(2) 0.6067(19) 0.294(15) Uiso 1 1 d D . .
H92A H 0.5327 0.1194 0.6425 0.352 Uiso 1 1 calc R . .
H92B H 0.6320 0.1702 0.5751 0.352 Uiso 1 1 calc R . .
C93 C 0.544(2) 0.013(2) 0.5389(19) 0.270(14) Uiso 1 1 d D . .
H93A H 0.5175 -0.0467 0.5780 0.324 Uiso 1 1 calc R . .
H93B H 0.6096 0.0067 0.5092 0.324 Uiso 1 1 calc R . .
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
_geom_angle_publ_flag
C3 Pt1 P1 100.2(2) . . ?
C3 Pt1 Ru1 114.2(2) . . ?
P1 Pt1 Ru1 145.02(5) . . ?
C3 Pt1 Ru2 50.7(2) . . ?
P1 Pt1 Ru2 144.80(6) . . ?
Ru1 Pt1 Ru2 65.318(16) . . ?
C3 Pt1 Ru3 68.0(2) . . ?
P1 Pt1 Ru3 141.09(5) . . ?
Ru1 Pt1 Ru3 63.557(15) . . ?
Ru2 Pt1 Ru3 54.208(15) . . ?
C12 Ru1 C13 92.6(4) . . ?
C12 Ru1 C11 92.8(4) . . ?
C13 Ru1 C11 111.9(4) . . ?
C12 Ru1 C1 115.9(3) . . ?
C13 Ru1 C1 116.9(3) . . ?
C11 Ru1 C1 120.7(3) . . ?
C12 Ru1 Pt1 151.2(3) . . ?
C13 Ru1 Pt1 73.8(2) . . ?
C11 Ru1 Pt1 70.2(2) . . ?
C1 Ru1 Pt1 92.95(15) . . ?
C12 Ru1 Ru5 83.5(3) . . ?
C13 Ru1 Ru5 154.8(3) . . ?
C11 Ru1 Ru5 93.2(2) . . ?
C1 Ru1 Ru5 45.73(15) . . ?
Pt1 Ru1 Ru5 119.39(2) . . ?
C12 Ru1 Ru4 81.6(3) . . ?
C13 Ru1 Ru4 92.2(3) . . ?
C11 Ru1 Ru4 155.5(2) . . ?
C1 Ru1 Ru4 44.89(16) . . ?
Pt1 Ru1 Ru4 123.32(2) . . ?
Ru5 Ru1 Ru4 62.56(2) . . ?
C12 Ru1 Ru2 142.9(3) . . ?
C13 Ru1 Ru2 123.3(2) . . ?
C11 Ru1 Ru2 82.8(2) . . ?
C1 Ru1 Ru2 42.75(16) . . ?
Pt1 Ru1 Ru2 60.072(15) . . ?
Ru5 Ru1 Ru2 60.196(18) . . ?
Ru4 Ru1 Ru2 87.51(2) . . ?
C12 Ru1 Ru3 139.8(3) . . ?
C13 Ru1 Ru3 78.6(2) . . ?
C11 Ru1 Ru3 127.0(2) . . ?
C1 Ru1 Ru3 42.79(15) . . ?
Pt1 Ru1 Ru3 63.408(15) . . ?
Ru5 Ru1 Ru3 88.35(2) . . ?
Ru4 Ru1 Ru3 59.997(17) . . ?
Ru2 Ru1 Ru3 52.893(16) . . ?
C22 Ru2 C21 90.2(3) . . ?
C22 Ru2 C1 104.8(3) . . ?
C21 Ru2 C1 137.4(3) . . ?
C22 Ru2 C3 114.2(3) . . ?
C21 Ru2 C3 88.4(3) . . ?
C1 Ru2 C3 119.0(3) . . ?
C22 Ru2 C2 95.4(3) . . ?
C21 Ru2 C2 120.1(3) . . ?
C1 Ru2 C2 98.3(2) . . ?
C3 Ru2 C2 36.0(3) . . ?
C22 Ru2 Ru3 113.0(3) . . ?
C21 Ru2 Ru3 154.4(3) . . ?
C1 Ru2 Ru3 49.24(16) . . ?
C3 Ru2 Ru3 72.6(2) . . ?
C2 Ru2 Ru3 49.94(17) . . ?
C22 Ru2 Pt1 158.1(2) . . ?
C21 Ru2 Pt1 88.6(2) . . ?
C1 Ru2 Pt1 90.66(17) . . ?
C3 Ru2 Pt1 43.87(19) . . ?
C2 Ru2 Pt1 66.66(17) . . ?
Ru3 Ru2 Pt1 65.772(16) . . ?
C22 Ru2 Ru5 91.7(2) . . ?
C21 Ru2 Ru5 97.5(3) . . ?
C1 Ru2 Ru5 43.56(16) . . ?
C3 Ru2 Ru5 153.40(19) . . ?
C2 Ru2 Ru5 141.59(17) . . ?
Ru3 Ru2 Ru5 92.72(2) . . ?
Pt1 Ru2 Ru5 110.089(19) . . ?
C22 Ru2 Ru1 146.3(2) . . ?
C21 Ru2 Ru1 103.0(2) . . ?
C1 Ru2 Ru1 45.81(17) . . ?
C3 Ru2 Ru1 97.18(19) . . ?
C2 Ru2 Ru1 104.04(17) . . ?
Ru3 Ru2 Ru1 63.865(18) . . ?
Pt1 Ru2 Ru1 54.611(14) . . ?
Ru5 Ru2 Ru1 56.214(17) . . ?
C32 Ru3 C31 89.5(3) . . ?
C32 Ru3 C1 106.8(3) . . ?
C31 Ru3 C1 145.1(3) . . ?
C32 Ru3 C2 95.8(3) . . ?
C31 Ru3 C2 107.1(3) . . ?
C1 Ru3 C2 101.7(2) . . ?
C32 Ru3 Ru2 116.3(3) . . ?
C31 Ru3 Ru2 147.5(3) . . ?
C1 Ru3 Ru2 48.83(17) . . ?
C2 Ru3 Ru2 53.77(17) . . ?
C32 Ru3 Ru4 91.2(2) . . ?
C31 Ru3 Ru4 108.1(3) . . ?
C1 Ru3 Ru4 42.91(17) . . ?
C2 Ru3 Ru4 144.09(18) . . ?
Ru2 Ru3 Ru4 91.69(2) . . ?
C32 Ru3 Pt1 158.8(2) . . ?
C31 Ru3 Pt1 88.7(2) . . ?
C1 Ru3 Pt1 86.26(17) . . ?
C2 Ru3 Pt1 64.69(17) . . ?
Ru2 Ru3 Pt1 60.021(15) . . ?
Ru4 Ru3 Pt1 109.434(18) . . ?
C32 Ru3 Ru1 146.9(2) . . ?
C31 Ru3 Ru1 106.3(2) . . ?
C1 Ru3 Ru1 45.48(17) . . ?
C2 Ru3 Ru1 106.59(16) . . ?
Ru2 Ru3 Ru1 63.241(17) . . ?
Ru4 Ru3 Ru1 56.464(17) . . ?
Pt1 Ru3 Ru1 53.035(14) . . ?
C43 Ru4 C41 98.4(4) . . ?
C43 Ru4 C42 95.9(4) . . ?
C41 Ru4 C42 92.6(4) . . ?
C43 Ru4 C1 99.8(3) . . ?
C41 Ru4 C1 122.2(3) . . ?
C42 Ru4 C1 138.6(3) . . ?
C43 Ru4 Ru1 149.4(3) . . ?
C41 Ru4 Ru1 101.3(3) . . ?
C42 Ru4 Ru1 106.2(3) . . ?
C1 Ru4 Ru1 49.78(17) . . ?
C43 Ru4 Ru5 99.1(3) . . ?
C41 Ru4 Ru5 159.4(3) . . ?
C42 Ru4 Ru5 96.3(2) . . ?
C1 Ru4 Ru5 43.56(16) . . ?
Ru1 Ru4 Ru5 58.307(19) . . ?
C43 Ru4 Ru3 98.2(3) . . ?
C41 Ru4 Ru3 78.8(3) . . ?
C42 Ru4 Ru3 164.4(3) . . ?
C1 Ru4 Ru3 44.58(17) . . ?
Ru1 Ru4 Ru3 63.539(17) . . ?
Ru5 Ru4 Ru3 88.04(2) . . ?
C51 Ru5 C52 94.1(4) . . ?
C51 Ru5 C53 98.1(4) . . ?
C52 Ru5 C53 92.7(3) . . ?
C51 Ru5 C1 102.9(3) . . ?
C52 Ru5 C1 129.6(3) . . ?
C53 Ru5 C1 130.1(3) . . ?
C51 Ru5 Ru1 153.1(2) . . ?
C52 Ru5 Ru1 104.0(3) . . ?
C53 Ru5 Ru1 100.6(3) . . ?
C1 Ru5 Ru1 50.24(17) . . ?
C51 Ru5 Ru4 103.1(3) . . ?
C52 Ru5 Ru4 87.0(2) . . ?
C53 Ru5 Ru4 158.8(3) . . ?
C1 Ru5 Ru4 43.13(17) . . ?
Ru1 Ru5 Ru4 59.13(2) . . ?
C51 Ru5 Ru2 98.1(2) . . ?
C52 Ru5 Ru2 167.5(3) . . ?
C53 Ru5 Ru2 88.3(3) . . ?
C1 Ru5 Ru2 44.47(17) . . ?
Ru1 Ru5 Ru2 63.589(18) . . ?
Ru4 Ru5 Ru2 87.539(19) . . ?
C71 P1 C79 109.1(10) . . ?
C71 P1 C75 110.2(8) . . ?
C79 P1 C75 104.8(7) . . ?
C71 P1 Pt1 114.4(3) . . ?
C79 P1 Pt1 106.0(4) . . ?
C75 P1 Pt1 111.8(4) . . ?
Ru4 C1 Ru5 93.3(2) . . ?
Ru4 C1 Ru2 173.5(3) . . ?
Ru5 C1 Ru2 92.0(2) . . ?
Ru4 C1 Ru3 92.5(2) . . ?
Ru5 C1 Ru3 172.5(3) . . ?
Ru2 C1 Ru3 81.9(2) . . ?
Ru4 C1 Ru1 85.3(2) . . ?
Ru5 C1 Ru1 84.0(2) . . ?
Ru2 C1 Ru1 91.4(2) . . ?
Ru3 C1 Ru1 91.7(2) . . ?
C3 C2 C61 121.6(6) . . ?
C3 C2 Ru3 112.3(5) . . ?
C61 C2 Ru3 125.6(5) . . ?
C3 C2 Ru2 71.8(4) . . ?
C61 C2 Ru2 125.9(5) . . ?
Ru3 C2 Ru2 76.29(19) . . ?
C2 C3 Pt1 114.2(5) . . ?
C2 C3 Ru2 72.1(4) . . ?
Pt1 C3 Ru2 85.4(3) . . ?
C2 C3 H1 117(3) . . ?
Pt1 C3 H1 128(3) . . ?
Ru2 C3 H1 114(3) . . ?
O11 C11 Ru1 171.4(7) . . ?
O12 C12 Ru1 174.7(8) . . ?
O13 C13 Ru1 170.6(7) . . ?
O21 C21 Ru2 178.0(8) . . ?
O22 C22 Ru2 178.2(7) . . ?
O31 C31 Ru3 178.6(8) . . ?
O32 C32 Ru3 177.7(7) . . ?
O41 C41 Ru4 176.6(8) . . ?
O42 C42 Ru4 178.2(9) . . ?
O43 C43 Ru4 174.6(8) . . ?
O51 C51 Ru5 178.2(8) . . ?
O52 C52 Ru5 177.9(9) . . ?
O53 C53 Ru5 178.5(8) . . ?
C62 C61 C66 116.8(7) . . ?
C62 C61 C2 123.5(6) . . ?
C66 C61 C2 119.7(7) . . ?
C63 C62 C61 122.5(8) . . ?
C63 C62 H62 118.8 . . ?
C61 C62 H62 118.8 . . ?
C62 C63 C64 119.1(9) . . ?
C62 C63 H63 120.4 . . ?
C64 C63 H63 120.4 . . ?
C65 C64 C63 119.7(8) . . ?
C65 C64 H64 120.2 . . ?
C63 C64 H64 120.2 . . ?
C64 C65 C66 121.2(9) . . ?
C64 C65 H65 119.4 . . ?
C66 C65 H65 119.4 . . ?
C65 C66 C61 120.7(8) . . ?
C65 C66 H66 119.7 . . ?
C61 C66 H66 119.7 . . ?
C72 C71 C74 116.0(13) . . ?
C72 C71 P1 114.5(10) . . ?
C74 C71 P1 117.3(10) . . ?
C72 C71 C73 99.3(15) . . ?
C74 C71 C73 105.2(15) . . ?
P1 C71 C73 100.7(11) . . ?
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 . . ?
C76 C75 C77 113.3(11) . . ?
C76 C75 C78 101.3(13) . . ?
C77 C75 C78 104.9(11) . . ?
C76 C75 P1 114.6(9) . . ?
C77 C75 P1 116.4(9) . . ?
C78 C75 P1 104.0(8) . . ?
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 . . ?
C81 C79 C82 113.7(12) . . ?
C81 C79 P1 118.0(9) . . ?
C82 C79 P1 119.5(9) . . ?
C81 C79 C80 104.6(13) . . ?
C82 C79 C80 100.7(12) . . ?
P1 C79 C80 94.8(10) . . ?
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 . . ?
C91 C90 H90A 109.5 . . ?
C91 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C91 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C90 C91 C92 89.3(17) . . ?
C90 C91 H91A 113.8 . . ?
C92 C91 H91A 113.8 . . ?
C90 C91 H91B 113.8 . . ?
C92 C91 H91B 113.8 . . ?
H91A C91 H91B 111.0 . . ?
C93 C92 C91 104(2) . . ?
C93 C92 H92A 111.0 . . ?
C91 C92 H92A 111.0 . . ?
C93 C92 H92B 111.0 . . ?
C91 C92 H92B 111.0 . . ?
H92A C92 H92B 109.0 . . ?
C92 C93 C93 134(4) . 2_656 ?
C92 C93 H93A 103.7 . . ?
C93 C93 H93A 103.7 2_656 . ?
C92 C93 H93B 103.7 . . ?
C93 C93 H93B 103.7 2_656 . ?
H93A C93 H93B 105.3 . . ?
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
Pt1 C3 1.980(7) . ?
Pt1 P1 2.3122(19) . ?
Pt1 Ru1 2.6787(6) . ?
Pt1 Ru2 2.8476(6) . ?
Pt1 Ru3 2.9979(5) . ?
Ru1 C12 1.907(7) . ?
Ru1 C13 1.920(8) . ?
Ru1 C11 1.938(8) . ?
Ru1 C1 2.141(6) . ?
Ru1 Ru5 2.7705(8) . ?
Ru1 Ru4 2.7949(8) . ?
Ru1 Ru2 2.9856(7) . ?
Ru1 Ru3 3.0018(7) . ?
Ru2 C22 1.865(7) . ?
Ru2 C21 1.930(8) . ?
Ru2 C1 2.027(6) . ?
Ru2 C3 2.210(7) . ?
Ru2 C2 2.214(6) . ?
Ru2 Ru3 2.6666(7) . ?
Ru2 Ru5 2.8926(7) . ?
Ru3 C32 1.847(7) . ?
Ru3 C31 1.896(8) . ?
Ru3 C1 2.040(6) . ?
Ru3 C2 2.101(6) . ?
Ru3 Ru4 2.9037(7) . ?
Ru4 C43 1.903(9) . ?
Ru4 C41 1.905(10) . ?
Ru4 C42 1.931(8) . ?
Ru4 C1 1.979(6) . ?
Ru4 Ru5 2.8898(8) . ?
Ru5 C51 1.901(8) . ?
Ru5 C52 1.907(8) . ?
Ru5 C53 1.919(9) . ?
Ru5 C1 1.995(6) . ?
P1 C71 1.861(11) . ?
P1 C79 1.870(11) . ?
P1 C75 1.913(11) . ?
O11 C11 1.136(9) . ?
O12 C12 1.141(9) . ?
O13 C13 1.134(9) . ?
O21 C21 1.129(9) . ?
O22 C22 1.131(9) . ?
O31 C31 1.135(9) . ?
O32 C32 1.139(9) . ?
O41 C41 1.125(10) . ?
O42 C42 1.132(9) . ?
O43 C43 1.132(10) . ?
O51 C51 1.124(10) . ?
O52 C52 1.142(9) . ?
O53 C53 1.133(10) . ?
C2 C3 1.369(10) . ?
C2 C61 1.494(8) . ?
C3 H1 1.11(6) . ?
C61 C62 1.386(10) . ?
C61 C66 1.391(10) . ?
C62 C63 1.378(10) . ?
C62 H62 0.9300 . ?
C63 C64 1.384(14) . ?
C63 H63 0.9300 . ?
C64 C65 1.350(14) . ?
C64 H64 0.9300 . ?
C65 C66 1.384(11) . ?
C65 H65 0.9300 . ?
C66 H66 0.9300 . ?
C71 C72 1.437(16) . ?
C71 C74 1.512(16) . ?
C71 C73 1.89(3) . ?
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 C76 1.440(18) . ?
C75 C77 1.537(14) . ?
C75 C78 1.664(18) . ?
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 C81 1.372(18) . ?
C79 C82 1.503(14) . ?
C79 C80 1.94(3) . ?
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 C91 1.499(18) . ?
C90 H90A 0.9600 . ?
C90 H90B 0.9600 . ?
C90 H90C 0.9600 . ?
C91 C92 1.541(18) . ?
C91 H91A 0.9700 . ?
C91 H91B 0.9700 . ?
C92 C93 1.488(18) . ?
C92 H92A 0.9700 . ?
C92 H92B 0.9700 . ?
C93 C93 1.50(4) 2_656 ?
C93 H93A 0.9700 . ?
C93 H93B 0.9700 . ?
