#------------------------------------------------------------------------------
#$Date: 2016-03-28 20:40:01 +0300 (Mon, 28 Mar 2016) $
#$Revision: 180566 $
#$URL: svn://www.crystallography.net/cod/cif/1/10/08/1100874.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_1100874
loop_
_publ_author_name
'Adams, Richard D.'
'Captain, Burjor'
'Zhu, Lei'
_publ_section_title
;
 New High Nuclearity Platinum--Ruthenium Carbonyl Cluster Complexes
 Containing a Phenylacetylene Ligand: Structures and Properties
;
_journal_coden_ASTM              ORGND7
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2419
_journal_page_last               2423
_journal_paper_doi               10.1021/om050175n
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C52 H74 O13 P2 Pt2 Ru5'
_chemical_formula_weight         1864.58
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 126.0050(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   39.0570(13)
_cell_length_b                   18.0757(6)
_cell_length_c                   22.9961(7)
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_cell_volume                     13133.4(7)
_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_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0565
_diffrn_reflns_av_sigmaI/netI    0.0594
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            38947
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.29
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_exptl_absorpt_coefficient_mu    5.463
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.340
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.886
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             7168
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.973
_refine_diff_density_min         -1.355
_refine_diff_density_rms         0.588
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     655
_refine_ls_number_reflns         11613
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0731
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0575P)²+7.0392P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1155
_refine_ls_wR_factor_ref         0.1240
_reflns_number_gt                8843
_reflns_number_total             11613
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050175nsi20050310_030517.cif
_cod_data_source_block           ru5ptpps
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_sg_symbol_H-M      C2/c
_cod_database_code               1100874
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Pt1 Pt 0.183705(12) 0.34982(2) 0.775939(19) 0.03740(11) Uani 1 1 d . . .
Pt2 Pt 0.323604(13) 0.38279(2) 0.69285(2) 0.04282(12) Uani 1 1 d . . .
Ru1 Ru 0.24209(3) 0.41029(4) 0.64686(4) 0.03723(19) Uani 1 1 d . . .
Ru2 Ru 0.29073(3) 0.28806(4) 0.74546(4) 0.0392(2) Uani 1 1 d . . .
Ru3 Ru 0.21334(2) 0.24178(4) 0.72370(4) 0.03414(19) Uani 1 1 d . . .
Ru4 Ru 0.16832(2) 0.35190(4) 0.63173(4) 0.03423(19) Uani 1 1 d . . .
Ru5 Ru 0.24901(2) 0.39117(4) 0.77503(4) 0.03696(19) Uani 1 1 d . . .
P1 P 0.14380(9) 0.36994(15) 0.81915(14) 0.0439(7) Uani 1 1 d . . .
P2 P 0.37484(9) 0.40387(17) 0.67399(16) 0.0511(7) Uani 1 1 d . . .
O11 O 0.1804(3) 0.5379(4) 0.5760(4) 0.062(2) Uani 1 1 d . . .
O12 O 0.2224(3) 0.3478(5) 0.5084(4) 0.080(3) Uani 1 1 d . . .
O13 O 0.3072(3) 0.5370(5) 0.7100(5) 0.083(3) Uani 1 1 d . . .
O21 O 0.3834(3) 0.3363(5) 0.8406(4) 0.080(3) Uani 1 1 d . . .
O22 O 0.2878(3) 0.1746(5) 0.6460(5) 0.094(3) Uani 1 1 d . . .
O23 O 0.3355(3) 0.1952(6) 0.8810(5) 0.103(4) Uani 1 1 d . . .
O31 O 0.2090(3) 0.1061(4) 0.6436(4) 0.065(2) Uani 1 1 d . . .
O32 O 0.2529(3) 0.1586(4) 0.8645(4) 0.064(2) Uani 1 1 d . . .
O41 O 0.1284(3) 0.3203(5) 0.4773(4) 0.080(3) Uani 1 1 d . . .
O42 O 0.1064(3) 0.4763(5) 0.5908(5) 0.088(3) Uani 1 1 d . . .
O51 O 0.3358(3) 0.4621(6) 0.8580(5) 0.096(3) Uani 1 1 d . . .
O52 O 0.2039(3) 0.5408(4) 0.7393(4) 0.069(2) Uani 1 1 d . . .
O53 O 0.2808(3) 0.3375(5) 0.9253(4) 0.082(3) Uani 1 1 d . . .
C1 C 0.2306(3) 0.3227(5) 0.6851(5) 0.033(2) Uani 1 1 d . . .
C2 C 0.1580(3) 0.2565(5) 0.7228(5) 0.040(2) Uani 1 1 d . . .
H2 H 0.1482 0.2181 0.7399 0.047 Uiso 1 1 calc . . .
C3 C 0.1434(3) 0.2612(5) 0.6512(5) 0.032(2) Uani 1 1 d . . .
C4 C 0.1109(3) 0.2076(6) 0.5966(5) 0.045(2) Uani 1 1 d . . .
C5 C 0.1125(3) 0.1333(6) 0.6107(6) 0.049(3) Uani 1 1 d . . .
H5 H 0.1348 0.1155 0.6553 0.059 Uiso 1 1 calc R . .
C6 C 0.0823(4) 0.0844(7) 0.5615(6) 0.063(3) Uani 1 1 d . . .
H6 H 0.0852 0.0340 0.5714 0.076 Uiso 1 1 calc R . .
C7 C 0.0471(4) 0.1117(8) 0.4958(6) 0.079(4) Uani 1 1 d . . .
H7 H 0.0254 0.0800 0.4629 0.095 Uiso 1 1 calc R . .
C8 C 0.0449(4) 0.1866(7) 0.4808(6) 0.066(3) Uani 1 1 d . . .
H8 H 0.0225 0.2051 0.4366 0.080 Uiso 1 1 calc R . .
C9 C 0.0764(3) 0.2336(6) 0.5320(6) 0.058(3) Uani 1 1 d . . .
H9 H 0.0742 0.2840 0.5224 0.070 Uiso 1 1 calc R . .
C11 C 0.2019(3) 0.4887(6) 0.6023(5) 0.043(2) Uani 1 1 d . . .
C12 C 0.2313(3) 0.3739(6) 0.5598(6) 0.049(3) Uani 1 1 d . . .
C13 C 0.2918(3) 0.4794(6) 0.6854(6) 0.057(3) Uani 1 1 d . . .
C21 C 0.3493(4) 0.3315(6) 0.7874(6) 0.050(3) Uani 1 1 d . . .
C22 C 0.2906(4) 0.2174(6) 0.6851(6) 0.056(3) Uani 1 1 d . . .
C23 C 0.3183(4) 0.2284(7) 0.8307(7) 0.060(3) Uani 1 1 d . . .
C31 C 0.2106(3) 0.1569(5) 0.6747(5) 0.042(2) Uani 1 1 d . . .
C32 C 0.2385(3) 0.1871(5) 0.8104(5) 0.045(3) Uani 1 1 d . . .
C41 C 0.1436(4) 0.3315(6) 0.5364(6) 0.053(3) Uani 1 1 d . . .
C42 C 0.1292(3) 0.4293(6) 0.6056(5) 0.048(3) Uani 1 1 d . . .
C51 C 0.3033(4) 0.4342(7) 0.8235(6) 0.062(3) Uani 1 1 d . . .
C52 C 0.2185(3) 0.4830(6) 0.7520(5) 0.048(3) Uani 1 1 d . . .
C53 C 0.2634(4) 0.3547(6) 0.8658(6) 0.058(3) Uani 1 1 d . . .
C60 C 0.1622(4) 0.3107(6) 0.8993(5) 0.054(3) Uani 1 1 d . . .
C61 C 0.1703(5) 0.2308(7) 0.8854(7) 0.077(4) Uani 1 1 d . . .
H61A H 0.1791 0.2003 0.9262 0.115 Uiso 1 1 calc R . .
H61B H 0.1920 0.2315 0.8780 0.115 Uiso 1 1 calc R . .
H61C H 0.1447 0.2113 0.8434 0.115 Uiso 1 1 calc R . .
C62 C 0.1336(5) 0.3072(8) 0.9241(7) 0.087(5) Uani 1 1 d . . .
H62A H 0.1072 0.2846 0.8874 0.131 Uiso 1 1 calc R . .
H62B H 0.1285 0.3564 0.9332 0.131 Uiso 1 1 calc R . .
H62C H 0.1471 0.2785 0.9674 0.131 Uiso 1 1 calc R . .
C63 C 0.2068(4) 0.3372(7) 0.9655(5) 0.068(4) Uani 1 1 d . . .
H63A H 0.2180 0.3018 1.0038 0.102 Uiso 1 1 calc R . .
H63B H 0.2040 0.3844 0.9816 0.102 Uiso 1 1 calc R . .
H63C H 0.2256 0.3417 0.9517 0.102 Uiso 1 1 calc R . .
C64 C 0.0846(4) 0.3523(7) 0.7491(6) 0.059(3) Uani 1 1 d . . .
C65 C 0.0722(4) 0.3780(7) 0.6752(6) 0.069(4) Uani 1 1 d . . .
H65A H 0.0882 0.3508 0.6629 0.103 Uiso 1 1 calc R . .
H65B H 0.0781 0.4299 0.6771 0.103 Uiso 1 1 calc R . .
H65C H 0.0425 0.3695 0.6394 0.103 Uiso 1 1 calc R . .
C66 C 0.0742(4) 0.2709(7) 0.7393(7) 0.073(4) Uani 1 1 d . . .
H66A H 0.0813 0.2504 0.7837 0.110 Uiso 1 1 calc R . .
H66B H 0.0901 0.2462 0.7255 0.110 Uiso 1 1 calc R . .
H66C H 0.0445 0.2642 0.7026 0.110 Uiso 1 1 calc R . .
C67 C 0.0557(4) 0.3896(8) 0.7642(7) 0.087(4) Uani 1 1 d . . .
H67A H 0.0286 0.3657 0.7370 0.130 Uiso 1 1 calc R . .
H67B H 0.0523 0.4408 0.7506 0.130 Uiso 1 1 calc R . .
H67C H 0.0680 0.3860 0.8145 0.130 Uiso 1 1 calc R . .
C68 C 0.1517(4) 0.4720(6) 0.8470(6) 0.051(3) Uani 1 1 d . . .
C69 C 0.1282(4) 0.5195(7) 0.7796(6) 0.071(4) Uani 1 1 d . . .
H69A H 0.1351 0.5706 0.7927 0.106 Uiso 1 1 calc R . .
H69B H 0.0983 0.5125 0.7542 0.106 Uiso 1 1 calc R . .
H69C H 0.1365 0.5054 0.7492 0.106 Uiso 1 1 calc R . .
C70 C 0.1982(4) 0.4906(6) 0.8880(6) 0.061(3) Uani 1 1 d . . .
H70A H 0.2081 0.4767 0.8600 0.092 Uiso 1 1 calc R . .
H70B H 0.2138 0.4641 0.9327 0.092 Uiso 1 1 calc R . .
H70C H 0.2021 0.5428 0.8973 0.092 Uiso 1 1 calc R . .
C71 C 0.1373(4) 0.4915(7) 0.8940(6) 0.076(4) Uani 1 1 d . . .
H71A H 0.1514 0.4600 0.9356 0.114 Uiso 1 1 calc R . .
H71B H 0.1072 0.4845 0.8671 0.114 Uiso 1 1 calc R . .
H71C H 0.1441 0.5422 0.9090 0.114 Uiso 1 1 calc R . .
C72 C 0.4083(4) 0.3161(7) 0.6964(7) 0.063(3) Uani 1 1 d . . .
C73 C 0.4313(5) 0.3116(8) 0.6609(8) 0.092(5) Uani 1 1 d . . .
H73A H 0.4472 0.2664 0.6749 0.137 Uiso 1 1 calc R . .
H73B H 0.4501 0.3529 0.6759 0.137 Uiso 1 1 calc R . .
H73C H 0.4109 0.3126 0.6096 0.137 Uiso 1 1 calc R . .
C74 C 0.3797(5) 0.2497(7) 0.6741(9) 0.092(5) Uani 1 1 d . . .
H74A H 0.3589 0.2501 0.6228 0.138 Uiso 1 1 calc R . .
H74B H 0.3657 0.2514 0.6971 0.138 Uiso 1 1 calc R . .
H74C H 0.3962 0.2053 0.6880 0.138 Uiso 1 1 calc R . .
C75 C 0.4427(4) 0.3098(8) 0.7786(7) 0.087(4) Uani 1 1 d . . .
H75A H 0.4298 0.3156 0.8033 0.131 Uiso 1 1 calc R . .
H75B H 0.4635 0.3477 0.7938 0.131 Uiso 1 1 calc R . .
H75C H 0.4560 0.2621 0.7895 0.131 Uiso 1 1 calc R . .
C76 C 0.4121(4) 0.4848(7) 0.7294(8) 0.076(4) Uani 1 1 d . . .
C77 C 0.3907(6) 0.5574(8) 0.7014(11) 0.136(8) Uani 1 1 d . . .
H77A H 0.3663 0.5592 0.7021 0.204 Uiso 1 1 calc R . .
H77B H 0.3819 0.5637 0.6529 0.204 Uiso 1 1 calc R . .
H77C H 0.4099 0.5963 0.7310 0.204 Uiso 1 1 calc R . .
C78 C 0.4524(4) 0.4861(8) 0.7338(7) 0.085(4) Uani 1 1 d . . .
H78A H 0.4464 0.4694 0.6890 0.127 Uiso 1 1 calc R . .
H78B H 0.4730 0.4540 0.7718 0.127 Uiso 1 1 calc R . .
H78C H 0.4633 0.5356 0.7433 0.127 Uiso 1 1 calc R . .
C79 C 0.4213(5) 0.4802(9) 0.8034(8) 0.102(5) Uani 1 1 d . . .
H79A H 0.4351 0.5248 0.8296 0.153 Uiso 1 1 calc R . .
H79B H 0.4395 0.4387 0.8290 0.153 Uiso 1 1 calc R . .
H79C H 0.3953 0.4741 0.7984 0.153 Uiso 1 1 calc R . .
C80 C 0.3464(4) 0.4242(11) 0.5741(8) 0.095(5) Uani 1 1 d . . .
C81 C 0.3735(5) 0.4529(12) 0.5511(9) 0.132(8) Uani 1 1 d . . .
H81A H 0.3571 0.4533 0.4996 0.199 Uiso 1 1 calc R . .
H81B H 0.3976 0.4212 0.5701 0.199 Uiso 1 1 calc R . .
H81C H 0.3829 0.5022 0.5691 0.199 Uiso 1 1 calc R . .
C82 C 0.3106(5) 0.4774(10) 0.5479(9) 0.125(7) Uani 1 1 d . . .
H82A H 0.2984 0.4905 0.4989 0.188 Uiso 1 1 calc R . .
H82B H 0.3210 0.5211 0.5772 0.188 Uiso 1 1 calc R . .
H82C H 0.2894 0.4546 0.5508 0.188 Uiso 1 1 calc R . .
C83 C 0.3229(6) 0.3515(11) 0.5321(8) 0.124(7) Uani 1 1 d . . .
H83A H 0.3079 0.3317 0.5498 0.186 Uiso 1 1 calc R . .
H83B H 0.3433 0.3159 0.5391 0.186 Uiso 1 1 calc R . .
H83C H 0.3033 0.3624 0.4818 0.186 Uiso 1 1 calc R . .
C1S C 0.0120(8) 0.5992(14) 0.6045(14) 0.224(13) Uiso 1 1 d D . .
H1S1 H 0.0394 0.5969 0.6498 0.335 Uiso 1 1 calc R . .
H1S2 H -0.0046 0.5575 0.6002 0.335 Uiso 1 1 calc R . .
H1S3 H -0.0020 0.6441 0.6020 0.335 Uiso 1 1 calc R . .
C2S C 0.0167(11) 0.5977(12) 0.5450(14) 0.32(2) Uiso 1 1 d D . .
H2S1 H 0.0257 0.5487 0.5420 0.380 Uiso 1 1 calc R . .
H2S2 H -0.0105 0.6077 0.5000 0.380 Uiso 1 1 calc R . .
C3S C 0.0476(7) 0.652(2) 0.5552(14) 0.34(2) Uiso 1 1 d D . .
H3S1 H 0.0689 0.6276 0.5530 0.403 Uiso 1 1 calc R . .
H3S2 H 0.0617 0.6749 0.6022 0.403 Uiso 1 1 calc R . .
C4S C 0.0261(8) 0.7100(16) 0.499(2) 0.40(3) Uiso 1 1 d D . .
H4S1 H 0.0003 0.6898 0.4562 0.477 Uiso 1 1 calc R . .
H4S2 H 0.0184 0.7512 0.5157 0.477 Uiso 1 1 calc R . .
C5S C 0.0541(10) 0.7362(15) 0.4795(18) 0.293(18) Uiso 1 1 d D . .
H5S1 H 0.0511 0.7045 0.4428 0.351 Uiso 1 1 calc R . .
H5S2 H 0.0833 0.7344 0.5215 0.351 Uiso 1 1 calc R . .
C6S C 0.0421(11) 0.8145(14) 0.4521(19) 0.33(2) Uiso 1 1 d D . .
H6S1 H 0.0664 0.8396 0.4607 0.488 Uiso 1 1 calc R . .
H6S2 H 0.0325 0.8398 0.4767 0.488 Uiso 1 1 calc R . .
H6S3 H 0.0199 0.8138 0.4014 0.488 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
C2 Pt1 P1 100.0(3) . . ?
C2 Pt1 C53 118.0(4) . . ?
P1 Pt1 C53 117.3(3) . . ?
C2 Pt1 Ru5 112.0(3) . . ?
P1 Pt1 Ru5 147.78(7) . . ?
C53 Pt1 Ru5 43.5(3) . . ?
C2 Pt1 Ru3 49.0(3) . . ?
P1 Pt1 Ru3 145.58(7) . . ?
C53 Pt1 Ru3 76.1(2) . . ?
Ru5 Pt1 Ru3 64.21(2) . . ?
C2 Pt1 Ru4 68.2(3) . . ?
P1 Pt1 Ru4 136.32(7) . . ?
C53 Pt1 Ru4 104.7(3) . . ?
Ru5 Pt1 Ru4 63.88(2) . . ?
Ru3 Pt1 Ru4 54.14(2) . . ?
C21 Pt2 C13 111.7(5) . . ?
C21 Pt2 P2 110.0(3) . . ?
C13 Pt2 P2 112.6(3) . . ?
C21 Pt2 Ru1 103.3(3) . . ?
C13 Pt2 Ru1 47.1(3) . . ?
P2 Pt2 Ru1 146.32(8) . . ?
C21 Pt2 Ru2 46.8(3) . . ?
C13 Pt2 Ru2 98.3(3) . . ?
P2 Pt2 Ru2 147.83(8) . . ?
Ru1 Pt2 Ru2 63.62(2) . . ?
C12 Ru1 C11 95.1(4) . . ?
C12 Ru1 C1 102.8(4) . . ?
C11 Ru1 C1 120.2(4) . . ?
C12 Ru1 C13 103.6(5) . . ?
C11 Ru1 C13 92.9(4) . . ?
C1 Ru1 C13 135.0(4) . . ?
C12 Ru1 Pt2 80.3(3) . . ?
C11 Ru1 Pt2 138.0(3) . . ?
C1 Ru1 Pt2 101.4(3) . . ?
C13 Ru1 Pt2 49.2(3) . . ?
C12 Ru1 Ru5 152.0(3) . . ?
C11 Ru1 Ru5 101.3(3) . . ?
C1 Ru1 Ru5 49.3(2) . . ?
C13 Ru1 Ru5 98.1(4) . . ?
Pt2 Ru1 Ru5 101.43(3) . . ?
C12 Ru1 Ru4 99.2(3) . . ?
C11 Ru1 Ru4 76.1(3) . . ?
C1 Ru1 Ru4 45.1(3) . . ?
C13 Ru1 Ru4 155.5(3) . . ?
Pt2 Ru1 Ru4 145.89(3) . . ?
Ru5 Ru1 Ru4 63.72(3) . . ?
C12 Ru1 Ru2 101.2(3) . . ?
C11 Ru1 Ru2 158.8(3) . . ?
C1 Ru1 Ru2 42.9(3) . . ?
C13 Ru1 Ru2 96.2(3) . . ?
Pt2 Ru1 Ru2 59.17(2) . . ?
Ru5 Ru1 Ru2 58.51(3) . . ?
Ru4 Ru1 Ru2 87.98(3) . . ?
C22 Ru2 C23 97.4(5) . . ?
C22 Ru2 C1 102.0(4) . . ?
C23 Ru2 C1 127.6(4) . . ?
C22 Ru2 C21 97.2(5) . . ?
C23 Ru2 C21 86.2(5) . . ?
C1 Ru2 C21 137.6(4) . . ?
C22 Ru2 Pt2 84.3(3) . . ?
C23 Ru2 Pt2 131.2(4) . . ?
C1 Ru2 Pt2 99.1(3) . . ?
C21 Ru2 Pt2 45.6(3) . . ?
C22 Ru2 Ru5 151.3(4) . . ?
C23 Ru2 Ru5 100.5(4) . . ?
C1 Ru2 Ru5 49.4(2) . . ?
C21 Ru2 Ru5 106.1(3) . . ?
Pt2 Ru2 Ru5 100.19(3) . . ?
C22 Ru2 Ru3 97.3(3) . . ?
C23 Ru2 Ru3 85.2(4) . . ?
C1 Ru2 Ru3 44.5(3) . . ?
C21 Ru2 Ru3 163.9(3) . . ?
Pt2 Ru2 Ru3 143.26(3) . . ?
Ru5 Ru2 Ru3 62.38(3) . . ?
C22 Ru2 Ru1 102.8(4) . . ?
C23 Ru2 Ru1 159.1(4) . . ?
C1 Ru2 Ru1 42.5(3) . . ?
C21 Ru2 Ru1 96.4(3) . . ?
Pt2 Ru2 Ru1 57.21(2) . . ?
Ru5 Ru2 Ru1 58.81(3) . . ?
Ru3 Ru2 Ru1 87.01(3) . . ?
C31 Ru3 C32 91.0(4) . . ?
C31 Ru3 C1 104.1(4) . . ?
C32 Ru3 C1 137.4(4) . . ?
C31 Ru3 C2 113.1(4) . . ?
C32 Ru3 C2 88.4(4) . . ?
C1 Ru3 C2 119.7(3) . . ?
C31 Ru3 C3 93.9(4) . . ?
C32 Ru3 C3 121.0(4) . . ?
C1 Ru3 C3 97.8(3) . . ?
C2 Ru3 C3 36.8(3) . . ?
C31 Ru3 Ru4 110.8(3) . . ?
C32 Ru3 Ru4 155.6(3) . . ?
C1 Ru3 Ru4 49.3(2) . . ?
C2 Ru3 Ru4 73.3(2) . . ?
C3 Ru3 Ru4 49.3(2) . . ?
C31 Ru3 Pt1 156.5(3) . . ?
C32 Ru3 Pt1 90.1(3) . . ?
C1 Ru3 Pt1 90.7(2) . . ?
C2 Ru3 Pt1 43.5(2) . . ?
C3 Ru3 Pt1 65.7(2) . . ?
Ru4 Ru3 Pt1 65.48(2) . . ?
C31 Ru3 Ru2 91.4(3) . . ?
C32 Ru3 Ru2 97.2(3) . . ?
C1 Ru3 Ru2 43.9(2) . . ?
C2 Ru3 Ru2 154.8(2) . . ?
C3 Ru3 Ru2 141.3(2) . . ?
Ru4 Ru3 Ru2 93.21(3) . . ?
Pt1 Ru3 Ru2 111.70(3) . . ?
C31 Ru3 Ru5 147.0(3) . . ?
C32 Ru3 Ru5 103.0(3) . . ?
C1 Ru3 Ru5 46.5(2) . . ?
C2 Ru3 Ru5 97.2(2) . . ?
C3 Ru3 Ru5 103.7(2) . . ?
Ru4 Ru3 Ru5 64.61(3) . . ?
Pt1 Ru3 Ru5 54.62(2) . . ?
Ru2 Ru3 Ru5 57.59(3) . . ?
C41 Ru4 C42 90.6(5) . . ?
C41 Ru4 C1 105.5(4) . . ?
C42 Ru4 C1 146.6(4) . . ?
C41 Ru4 C3 96.6(4) . . ?
C42 Ru4 C3 104.9(4) . . ?
C1 Ru4 C3 102.1(3) . . ?
C41 Ru4 Ru3 115.7(3) . . ?
C42 Ru4 Ru3 146.6(3) . . ?
C1 Ru4 Ru3 48.5(2) . . ?
C3 Ru4 Ru3 54.4(2) . . ?
C41 Ru4 Ru1 90.2(4) . . ?
C42 Ru4 Ru1 109.3(3) . . ?
C1 Ru4 Ru1 43.3(2) . . ?
C3 Ru4 Ru1 145.0(2) . . ?
Ru3 Ru4 Ru1 91.79(3) . . ?
C41 Ru4 Pt1 159.7(4) . . ?
C42 Ru4 Pt1 87.7(3) . . ?
C1 Ru4 Pt1 86.5(2) . . ?
C3 Ru4 Pt1 64.4(2) . . ?
Ru3 Ru4 Pt1 60.37(2) . . ?
Ru1 Ru4 Pt1 109.47(3) . . ?
C41 Ru4 Ru5 145.9(4) . . ?
C42 Ru4 Ru5 107.7(3) . . ?
C1 Ru4 Ru5 45.2(2) . . ?
C3 Ru4 Ru5 105.7(2) . . ?
Ru3 Ru4 Ru5 62.09(3) . . ?
Ru1 Ru4 Ru5 56.96(3) . . ?
Pt1 Ru4 Ru5 52.68(2) . . ?
C51 Ru5 C52 96.1(5) . . ?
C51 Ru5 C53 89.4(5) . . ?
C52 Ru5 C53 109.3(5) . . ?
C51 Ru5 C1 115.6(4) . . ?
C52 Ru5 C1 115.5(4) . . ?
C53 Ru5 C1 124.5(4) . . ?
C51 Ru5 Pt1 149.0(3) . . ?
C52 Ru5 Pt1 78.7(3) . . ?
C53 Ru5 Pt1 64.4(4) . . ?
C1 Ru5 Pt1 93.8(2) . . ?
C51 Ru5 Ru2 78.9(4) . . ?
C52 Ru5 Ru2 149.1(3) . . ?
C53 Ru5 Ru2 101.2(3) . . ?
C1 Ru5 Ru2 45.2(2) . . ?
Pt1 Ru5 Ru2 120.58(3) . . ?
C51 Ru5 Ru1 87.2(3) . . ?
C52 Ru5 Ru1 86.7(3) . . ?
C53 Ru5 Ru1 163.8(3) . . ?
C1 Ru5 Ru1 44.7(2) . . ?
Pt1 Ru5 Ru1 122.53(3) . . ?
Ru2 Ru5 Ru1 62.68(3) . . ?
C51 Ru5 Ru3 135.7(4) . . ?
C52 Ru5 Ru3 127.5(3) . . ?
C53 Ru5 Ru3 83.6(3) . . ?
C1 Ru5 Ru3 43.3(2) . . ?
Pt1 Ru5 Ru3 61.17(2) . . ?
Ru2 Ru5 Ru3 60.02(3) . . ?
Ru1 Ru5 Ru3 87.79(3) . . ?
C51 Ru5 Ru4 146.3(4) . . ?
C52 Ru5 Ru4 79.8(3) . . ?
C53 Ru5 Ru4 123.7(4) . . ?
C1 Ru5 Ru4 42.8(2) . . ?
Pt1 Ru5 Ru4 63.44(2) . . ?
Ru2 Ru5 Ru4 87.80(3) . . ?
Ru1 Ru5 Ru4 59.31(3) . . ?
Ru3 Ru5 Ru4 53.29(2) . . ?
C60 P1 C64 107.9(5) . . ?
C60 P1 C68 109.2(5) . . ?
C64 P1 C68 108.6(5) . . ?
C60 P1 Pt1 111.5(4) . . ?
C64 P1 Pt1 113.4(4) . . ?
C68 P1 Pt1 106.1(3) . . ?
C80 P2 C72 107.8(7) . . ?
C80 P2 C76 109.2(7) . . ?
C72 P2 C76 108.7(6) . . ?
C80 P2 Pt2 107.5(4) . . ?
C72 P2 Pt2 109.9(4) . . ?
C76 P2 Pt2 113.7(4) . . ?
Ru1 C1 Ru2 94.5(4) . . ?
Ru1 C1 Ru3 172.5(5) . . ?
Ru2 C1 Ru3 91.6(3) . . ?
Ru1 C1 Ru4 91.6(3) . . ?
Ru2 C1 Ru4 173.2(5) . . ?
Ru3 C1 Ru4 82.1(3) . . ?
Ru1 C1 Ru5 86.1(3) . . ?
Ru2 C1 Ru5 85.4(3) . . ?
Ru3 C1 Ru5 90.1(3) . . ?
Ru4 C1 Ru5 92.0(4) . . ?
C3 C2 Pt1 112.7(7) . . ?
C3 C2 Ru3 74.4(6) . . ?
Pt1 C2 Ru3 87.6(4) . . ?
C2 C3 C4 120.5(8) . . ?
C2 C3 Ru4 112.5(6) . . ?
C4 C3 Ru4 126.9(6) . . ?
C2 C3 Ru3 68.8(5) . . ?
C4 C3 Ru3 125.8(6) . . ?
Ru4 C3 Ru3 76.3(3) . . ?
C9 C4 C5 117.9(10) . . ?
C9 C4 C3 119.6(9) . . ?
C5 C4 C3 122.3(9) . . ?
C6 C5 C4 122.5(10) . . ?
C5 C6 C7 118.9(11) . . ?
C8 C7 C6 119.2(11) . . ?
C9 C8 C7 119.6(11) . . ?
C4 C9 C8 121.7(11) . . ?
O11 C11 Ru1 174.8(10) . . ?
O12 C12 Ru1 173.3(11) . . ?
O13 C13 Ru1 148.4(10) . . ?
O13 C13 Pt2 126.2(9) . . ?
Ru1 C13 Pt2 83.7(4) . . ?
O21 C21 Pt2 129.6(9) . . ?
O21 C21 Ru2 142.5(9) . . ?
Pt2 C21 Ru2 87.6(4) . . ?
O22 C22 Ru2 175.6(11) . . ?
O23 C23 Ru2 177.7(12) . . ?
O31 C31 Ru3 178.4(9) . . ?
O32 C32 Ru3 174.8(9) . . ?
O41 C41 Ru4 178.7(11) . . ?
O42 C42 Ru4 178.8(12) . . ?
O51 C51 Ru5 173.6(10) . . ?
O52 C52 Ru5 173.1(10) . . ?
O53 C53 Ru5 164.9(11) . . ?
O53 C53 Pt1 122.9(10) . . ?
Ru5 C53 Pt1 72.1(4) . . ?
C62 C60 C61 108.7(10) . . ?
C62 C60 C63 106.8(9) . . ?
C61 C60 C63 104.0(10) . . ?
C62 C60 P1 116.7(9) . . ?
C61 C60 P1 109.7(7) . . ?
C63 C60 P1 110.2(8) . . ?
C66 C64 C67 107.3(11) . . ?
C66 C64 C65 104.4(10) . . ?
C67 C64 C65 108.9(10) . . ?
C66 C64 P1 112.0(8) . . ?
C67 C64 P1 115.2(9) . . ?
C65 C64 P1 108.5(8) . . ?
C70 C68 C69 107.1(9) . . ?
C70 C68 C71 108.4(9) . . ?
C69 C68 C71 109.9(10) . . ?
C70 C68 P1 108.7(8) . . ?
C69 C68 P1 108.7(7) . . ?
C71 C68 P1 113.9(8) . . ?
C74 C72 C73 109.0(11) . . ?
C74 C72 C75 107.1(12) . . ?
C73 C72 C75 106.7(11) . . ?
C74 C72 P2 108.4(9) . . ?
C73 C72 P2 114.9(10) . . ?
C75 C72 P2 110.6(8) . . ?
C77 C76 C78 108.3(12) . . ?
C77 C76 C79 103.7(13) . . ?
C78 C76 C79 111.8(12) . . ?
C77 C76 P2 111.8(11) . . ?
C78 C76 P2 114.0(9) . . ?
C79 C76 P2 106.8(9) . . ?
C82 C80 C81 108.4(13) . . ?
C82 C80 C83 102.7(14) . . ?
C81 C80 C83 110.1(15) . . ?
C82 C80 P2 110.7(11) . . ?
C81 C80 P2 116.8(11) . . ?
C83 C80 P2 107.2(10) . . ?
C3S C2S C1S 112.2(11) . . ?
C2S C3S C4S 110.1(10) . . ?
C5S C4S C3S 110.4(10) . . ?
C4S C5S C6S 108.9(10) . . ?
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 C2 1.976(9) . ?
Pt1 P1 2.317(3) . ?
Pt1 C53 2.531(13) . ?
Pt1 Ru5 2.6699(9) . ?
Pt1 Ru3 2.8689(8) . ?
Pt1 Ru4 3.0028(8) . ?
Pt2 C21 2.008(11) . ?
Pt2 C13 2.092(11) . ?
Pt2 P2 2.315(3) . ?
Pt2 Ru1 2.7465(9) . ?
Pt2 Ru2 2.8055(9) . ?
Ru1 C12 1.906(11) . ?
Ru1 C11 1.906(10) . ?
Ru1 C1 1.985(9) . ?
Ru1 C13 2.022(11) . ?
Ru1 Ru5 2.8181(11) . ?
Ru1 Ru4 2.8909(11) . ?
Ru1 Ru2 2.9270(11) . ?
Ru2 C22 1.884(12) . ?
Ru2 C23 1.919(12) . ?
Ru2 C1 1.999(9) . ?
Ru2 C21 2.047(11) . ?
Ru2 Ru5 2.8094(11) . ?
Ru2 Ru3 2.8824(12) . ?
Ru3 C31 1.870(10) . ?
Ru3 C32 1.900(10) . ?
Ru3 C1 2.023(9) . ?
Ru3 C2 2.166(10) . ?
Ru3 C3 2.238(9) . ?
Ru3 Ru4 2.6748(10) . ?
Ru3 Ru5 2.9484(11) . ?
Ru4 C41 1.840(11) . ?
Ru4 C42 1.890(11) . ?
Ru4 C1 2.048(9) . ?
Ru4 C3 2.086(9) . ?
Ru4 Ru5 3.0142(10) . ?
Ru5 C51 1.886(12) . ?
Ru5 C52 1.927(11) . ?
Ru5 C53 1.932(12) . ?
Ru5 C1 2.140(9) . ?
P1 C60 1.872(10) . ?
P1 C64 1.915(12) . ?
P1 C68 1.918(11) . ?
P2 C80 1.909(13) . ?
P2 C72 1.923(12) . ?
P2 C76 1.923(13) . ?
O11 C11 1.124(11) . ?
O12 C12 1.120(12) . ?
O13 C13 1.169(12) . ?
O21 C21 1.166(12) . ?
O22 C22 1.142(13) . ?
O23 C23 1.112(12) . ?
O31 C31 1.141(11) . ?
O32 C32 1.143(11) . ?
O41 C41 1.136(11) . ?
O42 C42 1.130(12) . ?
O51 C51 1.147(13) . ?
O52 C52 1.143(12) . ?
O53 C53 1.156(12) . ?
C2 C3 1.391(12) . ?
C3 C4 1.500(13) . ?
C4 C9 1.375(14) . ?
C4 C5 1.375(14) . ?
C5 C6 1.372(14) . ?
C6 C7 1.405(16) . ?
C7 C8 1.387(17) . ?
C8 C9 1.386(15) . ?
C60 C62 1.526(16) . ?
C60 C61 1.549(16) . ?
C60 C63 1.569(15) . ?
C64 C66 1.507(16) . ?
C64 C67 1.519(16) . ?
C64 C65 1.541(15) . ?
C68 C70 1.511(15) . ?
C68 C69 1.520(15) . ?
C68 C71 1.526(15) . ?
C72 C74 1.510(17) . ?
C72 C73 1.529(17) . ?
C72 C75 1.550(16) . ?
C76 C77 1.484(19) . ?
C76 C78 1.519(17) . ?
C76 C79 1.521(19) . ?
C80 C82 1.50(2) . ?
C80 C81 1.527(19) . ?
C80 C83 1.57(2) . ?
C1S C2S 1.484(10) . ?
C2S C3S 1.466(10) . ?
C3S C4S 1.487(10) . ?
C4S C5S 1.474(10) . ?
C5S C6S 1.507(10) . ?
