#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:54:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179134 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/96/4309619.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_4309619
loop_
_publ_author_name
'Richard D. Adams'
'Burjor Captain'
'Lei Zhu'
_publ_section_title
;
Synthesis of PtRu5(CO)14(PBut3)(μ-H)2(μ6-C) and Its Reactions with
Pt(PBut3)2, HGePh3, and HSnPh3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6623
_journal_page_last               6631
_journal_paper_doi               10.1021/ic051007q
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C47 H52 Ge O13 P Pt Ru5'
_chemical_formula_weight         1628.89
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 91.5610(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0021(6)
_cell_length_b                   15.1699(10)
_cell_length_c                   36.261(2)
_cell_measurement_reflns_used    5783
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.65
_cell_measurement_theta_min      2.35
_cell_volume                     5499.9(6)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0480
_diffrn_reflns_av_sigmaI/netI    0.0454
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            57034
_diffrn_reflns_theta_full        28.38
_diffrn_reflns_theta_max         28.38
_diffrn_reflns_theta_min         1.46
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    4.494
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.502
_exptl_absorpt_correction_type   SADBS
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            DarkRed
_exptl_crystal_density_diffrn    1.967
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3132
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.368
_refine_diff_density_min         -0.873
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     619
_refine_ls_number_reflns         13749
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.158
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0508
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0360P)²+15.9500P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1031
_refine_ls_wR_factor_ref         0.1101
_reflns_number_gt                10686
_reflns_number_total             13749
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051007qsi20050621_100257_3.cif
_cod_data_source_block           lzh2ru5s
_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_cell_volume        5499.8(6)
_cod_database_code               4309619
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.24577(3) 0.046443(17) 0.088323(7) 0.03889(7) Uani 1 1 d . . .
Ru1 Ru -0.18091(5) 0.26349(4) 0.110564(14) 0.03928(13) Uani 1 1 d . . .
Ru2 Ru 0.03534(6) 0.37477(4) 0.089341(15) 0.04101(13) Uani 1 1 d . . .
Ru3 Ru 0.18952(5) 0.21664(3) 0.077665(14) 0.03536(12) Uani 1 1 d . . .
Ru4 Ru -0.01390(5) 0.11211(3) 0.101770(14) 0.03670(12) Uani 1 1 d . . .
Ru5 Ru 0.07340(5) 0.25290(3) 0.149696(13) 0.03401(11) Uani 1 1 d . . .
Ge1 Ge 0.05541(6) 0.33744(4) 0.209699(18) 0.03617(15) Uani 1 1 d . . .
P1 P 0.2981(2) -0.10282(12) 0.10215(5) 0.0449(4) Uani 1 1 d . . .
O11 O -0.3013(6) 0.2555(5) 0.03281(16) 0.0807(19) Uani 1 1 d . . .
O12 O -0.3833(6) 0.1440(4) 0.1458(2) 0.0796(19) Uani 1 1 d . . .
O13 O -0.3418(6) 0.4253(4) 0.13218(18) 0.0781(18) Uani 1 1 d . . .
O21 O -0.0490(8) 0.3919(5) 0.00867(17) 0.095(2) Uani 1 1 d . . .
O22 O -0.0933(8) 0.5433(5) 0.1157(2) 0.107(3) Uani 1 1 d . . .
O23 O 0.2952(7) 0.4744(5) 0.0815(2) 0.095(2) Uani 1 1 d . . .
O31 O 0.1804(7) 0.1877(5) -0.00346(16) 0.094(2) Uani 1 1 d . . .
O32 O 0.4616(6) 0.3065(4) 0.07922(19) 0.0806(19) Uani 1 1 d . . .
O41 O -0.1279(8) 0.0385(5) 0.03148(18) 0.098(2) Uani 1 1 d . . .
O42 O -0.1761(6) -0.0078(4) 0.15057(17) 0.0732(17) Uani 1 1 d . . .
O51 O 0.3718(5) 0.2557(5) 0.16514(17) 0.083(2) Uani 1 1 d . . .
O52 O 0.0535(7) 0.0954(4) 0.20047(14) 0.0693(16) Uani 1 1 d . . .
O53 O 0.5014(7) 0.1064(5) 0.0559(2) 0.096(2) Uani 1 1 d . . .
C1 C 0.0084(6) 0.2405(4) 0.09371(17) 0.0363(13) Uani 1 1 d . . .
C11 C -0.2606(7) 0.2581(5) 0.0619(2) 0.0512(18) Uani 1 1 d . . .
C12 C -0.3084(7) 0.1863(6) 0.1327(2) 0.0539(18) Uani 1 1 d . . .
C13 C -0.2804(7) 0.3667(5) 0.1244(2) 0.0521(18) Uani 1 1 d . . .
C21 C -0.0174(9) 0.3873(5) 0.0385(2) 0.0576(19) Uani 1 1 d . . .
C22 C -0.0508(9) 0.4808(5) 0.1057(2) 0.062(2) Uani 1 1 d . . .
C23 C 0.1998(8) 0.4334(6) 0.0832(2) 0.059(2) Uani 1 1 d . . .
C31 C 0.1867(7) 0.1978(5) 0.02758(19) 0.0512(18) Uani 1 1 d . . .
C32 C 0.3609(8) 0.2708(5) 0.0775(2) 0.0546(18) Uani 1 1 d . . .
C41 C -0.0843(8) 0.0636(5) 0.0587(2) 0.0547(19) Uani 1 1 d . . .
C42 C -0.1193(7) 0.0370(5) 0.1318(2) 0.0500(17) Uani 1 1 d . . .
C51 C 0.2613(7) 0.2532(5) 0.15690(19) 0.0511(18) Uani 1 1 d . . .
C52 C 0.0589(7) 0.1509(5) 0.17968(19) 0.0454(16) Uani 1 1 d . . .
C53 C 0.4040(9) 0.0855(5) 0.0685(2) 0.063(2) Uani 1 1 d . . .
C61 C 0.1665(9) -0.1833(5) 0.0853(2) 0.063(2) Uani 1 1 d . . .
C62 C 0.1639(13) -0.1906(10) 0.0441(3) 0.130(5) Uani 1 1 d . . .
H62A H 0.0879 -0.2250 0.0361 0.195 Uiso 1 1 calc R . .
H62B H 0.2444 -0.2187 0.0363 0.195 Uiso 1 1 calc R . .
H62C H 0.1577 -0.1328 0.0334 0.195 Uiso 1 1 calc R . .
C63 C 0.0261(10) -0.1544(7) 0.0942(3) 0.088(3) Uani 1 1 d . . .
H63A H 0.0071 -0.0989 0.0824 0.132 Uiso 1 1 calc R . .
H63B H 0.0189 -0.1481 0.1204 0.132 Uiso 1 1 calc R . .
H63C H -0.0367 -0.1978 0.0853 0.132 Uiso 1 1 calc R . .
C64 C 0.1757(13) -0.2771(7) 0.1031(4) 0.116(4) Uani 1 1 d . . .
H64A H 0.1787 -0.2717 0.1295 0.173 Uiso 1 1 calc R . .
H64B H 0.2554 -0.3060 0.0952 0.173 Uiso 1 1 calc R . .
H64C H 0.0988 -0.3111 0.0955 0.173 Uiso 1 1 calc R . .
C65 C 0.4629(10) -0.1375(6) 0.0810(3) 0.073(2) Uani 1 1 d . . .
C66 C 0.5801(9) -0.0848(7) 0.0981(3) 0.093(3) Uani 1 1 d . . .
H66A H 0.6590 -0.0949 0.0842 0.140 Uiso 1 1 calc R . .
H66B H 0.5959 -0.1034 0.1232 0.140 Uiso 1 1 calc R . .
H66C H 0.5588 -0.0231 0.0977 0.140 Uiso 1 1 calc R . .
C67 C 0.4609(11) -0.1153(8) 0.0398(3) 0.099(4) Uani 1 1 d . . .
H67A H 0.4076 -0.0636 0.0354 0.148 Uiso 1 1 calc R . .
H67B H 0.4234 -0.1638 0.0260 0.148 Uiso 1 1 calc R . .
H67C H 0.5506 -0.1046 0.0321 0.148 Uiso 1 1 calc R . .
C68 C 0.5000(13) -0.2368(7) 0.0866(4) 0.133(5) Uani 1 1 d . . .
H68A H 0.5761 -0.2509 0.0722 0.199 Uiso 1 1 calc R . .
H68B H 0.4256 -0.2730 0.0789 0.199 Uiso 1 1 calc R . .
H68C H 0.5211 -0.2474 0.1122 0.199 Uiso 1 1 calc R . .
C69 C 0.3159(10) -0.1085(6) 0.1543(2) 0.065(2) Uani 1 1 d . . .
C70 C 0.3809(18) -0.1893(9) 0.1698(4) 0.159(7) Uani 1 1 d . . .
H70A H 0.3850 -0.1854 0.1963 0.238 Uiso 1 1 calc R . .
H70B H 0.4698 -0.1942 0.1607 0.238 Uiso 1 1 calc R . .
H70C H 0.3297 -0.2402 0.1625 0.238 Uiso 1 1 calc R . .
C71 C 0.1794(12) -0.1005(7) 0.1716(2) 0.089(3) Uani 1 1 d . . .
H71A H 0.1278 -0.1525 0.1661 0.133 Uiso 1 1 calc R . .
H71B H 0.1337 -0.0498 0.1617 0.133 Uiso 1 1 calc R . .
H71C H 0.1906 -0.0943 0.1978 0.133 Uiso 1 1 calc R . .
C72 C 0.3903(13) -0.0247(8) 0.1677(3) 0.113(4) Uani 1 1 d . . .
H72A H 0.3981 -0.0251 0.1942 0.170 Uiso 1 1 calc R . .
H72B H 0.3412 0.0265 0.1597 0.170 Uiso 1 1 calc R . .
H72C H 0.4780 -0.0234 0.1576 0.170 Uiso 1 1 calc R . .
C73 C 0.1160(6) 0.2701(4) 0.25314(17) 0.0377(14) Uani 1 1 d . . .
C74 C 0.2508(8) 0.2626(5) 0.2613(2) 0.060(2) Uani 1 1 d . . .
H74 H 0.3120 0.2882 0.2457 0.072 Uiso 1 1 calc R . .
C75 C 0.2970(9) 0.2173(6) 0.2926(3) 0.073(3) Uani 1 1 d . . .
H75 H 0.3885 0.2127 0.2976 0.088 Uiso 1 1 calc R . .
C76 C 0.2097(10) 0.1798(6) 0.3159(2) 0.075(3) Uani 1 1 d . . .
H76 H 0.2405 0.1510 0.3371 0.090 Uiso 1 1 calc R . .
C77 C 0.0767(10) 0.1849(6) 0.3078(2) 0.070(2) Uani 1 1 d . . .
H77 H 0.0164 0.1579 0.3233 0.084 Uiso 1 1 calc R . .
C78 C 0.0303(8) 0.2293(5) 0.2772(2) 0.059(2) Uani 1 1 d . . .
H78 H -0.0614 0.2321 0.2725 0.071 Uiso 1 1 calc R . .
C79 C 0.1650(7) 0.4451(4) 0.21440(19) 0.0439(15) Uani 1 1 d . . .
C80 C 0.2327(8) 0.4834(5) 0.1857(2) 0.060(2) Uani 1 1 d . . .
H80 H 0.2248 0.4592 0.1621 0.072 Uiso 1 1 calc R . .
C81 C 0.3120(9) 0.5571(6) 0.1915(3) 0.074(3) Uani 1 1 d . . .
H81 H 0.3557 0.5826 0.1719 0.088 Uiso 1 1 calc R . .
C82 C 0.3260(9) 0.5923(6) 0.2259(3) 0.071(2) Uani 1 1 d . . .
H82 H 0.3785 0.6423 0.2297 0.085 Uiso 1 1 calc R . .
C83 C 0.2637(9) 0.5546(5) 0.2544(3) 0.070(2) Uani 1 1 d . . .
H83 H 0.2751 0.5778 0.2780 0.084 Uiso 1 1 calc R . .
C84 C 0.1834(9) 0.4820(5) 0.2486(2) 0.065(2) Uani 1 1 d . . .
H84 H 0.1403 0.4572 0.2685 0.078 Uiso 1 1 calc R . .
C85 C -0.1322(7) 0.3693(5) 0.21742(17) 0.0405(15) Uani 1 1 d . . .
C86 C -0.1738(8) 0.4561(5) 0.2224(2) 0.0527(18) Uani 1 1 d . . .
H86 H -0.1113 0.5014 0.2234 0.063 Uiso 1 1 calc R . .
C87 C -0.3098(9) 0.4747(6) 0.2259(2) 0.066(2) Uani 1 1 d . . .
H87 H -0.3379 0.5329 0.2280 0.079 Uiso 1 1 calc R . .
C88 C -0.4012(8) 0.4083(6) 0.2262(2) 0.064(2) Uani 1 1 d . . .
H88 H -0.4909 0.4215 0.2295 0.077 Uiso 1 1 calc R . .
C89 C -0.3634(7) 0.3229(6) 0.22189(19) 0.0538(19) Uani 1 1 d . . .
H89 H -0.4268 0.2780 0.2215 0.065 Uiso 1 1 calc R . .
C90 C -0.2293(7) 0.3035(5) 0.21800(18) 0.0473(16) Uani 1 1 d . . .
H90 H -0.2033 0.2449 0.2157 0.057 Uiso 1 1 calc R . .
C1S C 0.717(2) 0.5963(16) 0.0320(7) 0.249(11) Uiso 1 1 d D . .
H1S1 H 0.6815 0.6460 0.0186 0.373 Uiso 1 1 calc R . .
H1S2 H 0.8016 0.5798 0.0221 0.373 Uiso 1 1 calc R . .
H1S3 H 0.7294 0.6118 0.0576 0.373 Uiso 1 1 calc R . .
C3S C 0.508(3) 0.551(2) 0.0042(11) 0.37(2) Uiso 1 1 d D . .
H3S1 H 0.5333 0.5862 -0.0167 0.440 Uiso 1 1 calc R . .
H3S2 H 0.4341 0.5766 0.0172 0.440 Uiso 1 1 calc R . .
C2S C 0.622(3) 0.5208(14) 0.0286(9) 0.340(18) Uiso 1 1 d D . .
H2S1 H 0.5906 0.5041 0.0526 0.407 Uiso 1 1 calc R . .
H2S2 H 0.6660 0.4703 0.0178 0.407 Uiso 1 1 calc R . .
H1 H 0.077(5) 0.360(4) 0.1391(15) 0.026(14) Uiso 1 1 d . . .
H2 H -0.106(8) 0.272(5) 0.158(2) 0.08(3) Uiso 1 1 d . . .
H3 H 0.084(7) 0.020(5) 0.105(2) 0.07(2) 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'
Ge Ge 0.1547 1.8001 '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
C53 Pt1 P1 101.6(3) . . ?
C53 Pt1 Ru3 79.2(2) . . ?
P1 Pt1 Ru3 176.09(4) . . ?
C53 Pt1 Ru4 138.6(2) . . ?
P1 Pt1 Ru4 119.76(5) . . ?
Ru3 Pt1 Ru4 59.644(15) . . ?
C53 Pt1 H3 173(2) . . ?
P1 Pt1 H3 85(2) . . ?
Ru3 Pt1 H3 94(2) . . ?
Ru4 Pt1 H3 35(2) . . ?
C11 Ru1 C12 95.4(3) . . ?
C11 Ru1 C13 94.0(3) . . ?
C12 Ru1 C13 91.9(3) . . ?
C11 Ru1 C1 94.8(3) . . ?
C12 Ru1 C1 130.8(3) . . ?
C13 Ru1 C1 135.1(3) . . ?
C11 Ru1 Ru4 95.3(2) . . ?
C12 Ru1 Ru4 87.3(2) . . ?
C13 Ru1 Ru4 170.7(2) . . ?
C1 Ru1 Ru4 43.82(18) . . ?
C11 Ru1 Ru2 94.3(2) . . ?
C12 Ru1 Ru2 170.0(2) . . ?
C13 Ru1 Ru2 89.4(2) . . ?
C1 Ru1 Ru2 46.00(18) . . ?
Ru4 Ru1 Ru2 89.75(2) . . ?
C11 Ru1 Ru5 142.1(2) . . ?
C12 Ru1 Ru5 110.3(2) . . ?
C13 Ru1 Ru5 111.8(2) . . ?
C1 Ru1 Ru5 47.38(17) . . ?
Ru4 Ru1 Ru5 60.030(17) . . ?
Ru2 Ru1 Ru5 60.181(18) . . ?
C11 Ru1 H2 178(2) . . ?
C12 Ru1 H2 85(2) . . ?
C13 Ru1 H2 84(2) . . ?
C1 Ru1 H2 86(2) . . ?
Ru4 Ru1 H2 86(2) . . ?
Ru2 Ru1 H2 85(2) . . ?
Ru5 Ru1 H2 39(2) . . ?
C23 Ru2 C21 93.3(4) . . ?
C23 Ru2 C22 92.4(4) . . ?
C21 Ru2 C22 95.8(4) . . ?
C23 Ru2 C1 126.2(3) . . ?
C21 Ru2 C1 98.0(3) . . ?
C22 Ru2 C1 137.8(3) . . ?
C23 Ru2 Ru1 167.3(3) . . ?
C21 Ru2 Ru1 97.3(2) . . ?
C22 Ru2 Ru1 93.5(3) . . ?
C1 Ru2 Ru1 45.25(16) . . ?
C23 Ru2 Ru5 107.1(3) . . ?
C21 Ru2 Ru5 145.3(2) . . ?
C22 Ru2 Ru5 110.6(3) . . ?
C1 Ru2 Ru5 47.37(17) . . ?
Ru1 Ru2 Ru5 60.215(18) . . ?
C23 Ru2 Ru3 84.4(3) . . ?
C21 Ru2 Ru3 94.3(2) . . ?
C22 Ru2 Ru3 169.6(3) . . ?
C1 Ru2 Ru3 42.47(16) . . ?
Ru1 Ru2 Ru3 87.71(2) . . ?
Ru5 Ru2 Ru3 61.232(18) . . ?
C23 Ru2 H1 90.0(17) . . ?
C21 Ru2 H1 176.7(17) . . ?
C22 Ru2 H1 83.9(17) . . ?
C1 Ru2 H1 80.2(17) . . ?
Ru1 Ru2 H1 79.5(17) . . ?
Ru5 Ru2 H1 32.9(17) . . ?
Ru3 Ru2 H1 86.1(17) . . ?
C31 Ru3 C32 93.1(3) . . ?
C31 Ru3 C1 109.5(3) . . ?
C32 Ru3 C1 139.9(3) . . ?
C31 Ru3 Pt1 89.4(3) . . ?
C32 Ru3 Pt1 103.4(2) . . ?
C1 Ru3 Pt1 109.26(18) . . ?
C31 Ru3 Ru4 103.5(2) . . ?
C32 Ru3 Ru4 158.1(2) . . ?
C1 Ru3 Ru4 46.29(18) . . ?
Pt1 Ru3 Ru4 63.225(17) . . ?
C31 Ru3 Ru2 106.3(2) . . ?
C32 Ru3 Ru2 97.3(2) . . ?
C1 Ru3 Ru2 45.49(18) . . ?
Pt1 Ru3 Ru2 153.31(2) . . ?
Ru4 Ru3 Ru2 91.71(2) . . ?
C31 Ru3 Ru5 155.7(2) . . ?
C32 Ru3 Ru5 107.4(2) . . ?
C1 Ru3 Ru5 46.21(18) . . ?
Pt1 Ru3 Ru5 98.005(19) . . ?
Ru4 Ru3 Ru5 60.675(17) . . ?
Ru2 Ru3 Ru5 59.266(17) . . ?
C41 Ru4 C42 92.4(3) . . ?
C41 Ru4 C1 107.9(3) . . ?
C42 Ru4 C1 137.3(3) . . ?
C41 Ru4 Ru3 103.3(2) . . ?
C42 Ru4 Ru3 162.1(2) . . ?
C1 Ru4 Ru3 45.37(16) . . ?
C41 Ru4 Pt1 92.6(3) . . ?
C42 Ru4 Pt1 114.2(2) . . ?
C1 Ru4 Pt1 102.27(16) . . ?
Ru3 Ru4 Pt1 57.130(16) . . ?
C41 Ru4 Ru1 101.7(3) . . ?
C42 Ru4 Ru1 94.7(2) . . ?
C1 Ru4 Ru1 45.31(16) . . ?
Ru3 Ru4 Ru1 90.68(2) . . ?
Pt1 Ru4 Ru1 147.22(2) . . ?
C41 Ru4 Ru5 155.4(2) . . ?
C42 Ru4 Ru5 105.2(2) . . ?
C1 Ru4 Ru5 47.61(18) . . ?
Ru3 Ru4 Ru5 63.068(18) . . ?
Pt1 Ru4 Ru5 95.763(19) . . ?
Ru1 Ru4 Ru5 60.337(18) . . ?
C41 Ru4 H3 86(2) . . ?
C42 Ru4 H3 79(3) . . ?
C1 Ru4 H3 138(3) . . ?
Ru3 Ru4 H3 94(3) . . ?
Pt1 Ru4 H3 37(3) . . ?
Ru1 Ru4 H3 170(2) . . ?
Ru5 Ru4 H3 114(2) . . ?
C51 Ru5 C52 90.8(3) . . ?
C51 Ru5 C1 114.2(3) . . ?
C52 Ru5 C1 116.7(3) . . ?
C51 Ru5 Ge1 88.5(2) . . ?
C52 Ru5 Ge1 85.0(2) . . ?
C1 Ru5 Ge1 146.94(16) . . ?
C51 Ru5 Ru4 111.7(2) . . ?
C52 Ru5 Ru4 73.4(2) . . ?
C1 Ru5 Ru4 43.60(17) . . ?
Ge1 Ru5 Ru4 150.11(3) . . ?
C51 Ru5 Ru2 102.3(2) . . ?
C52 Ru5 Ru2 161.2(2) . . ?
C1 Ru5 Ru2 45.60(17) . . ?
Ge1 Ru5 Ru2 108.43(3) . . ?
Ru4 Ru5 Ru2 89.19(2) . . ?
C51 Ru5 Ru1 158.2(2) . . ?
C52 Ru5 Ru1 104.3(2) . . ?
C1 Ru5 Ru1 44.86(15) . . ?
Ge1 Ru5 Ru1 108.17(2) . . ?
Ru4 Ru5 Ru1 59.633(18) . . ?
Ru2 Ru5 Ru1 59.604(18) . . ?
C51 Ru5 Ru3 73.0(2) . . ?
C52 Ru5 Ru3 113.2(2) . . ?
C1 Ru5 Ru3 41.57(15) . . ?
Ge1 Ru5 Ru3 153.63(3) . . ?
Ru4 Ru5 Ru3 56.257(17) . . ?
Ru2 Ru5 Ru3 59.502(18) . . ?
Ru1 Ru5 Ru3 86.432(19) . . ?
C51 Ru5 H1 90.0(19) . . ?
C52 Ru5 H1 158.0(19) . . ?
C1 Ru5 H1 82.8(18) . . ?
Ge1 Ru5 H1 73.0(18) . . ?
Ru4 Ru5 H1 126.3(18) . . ?
Ru2 Ru5 H1 37.3(18) . . ?
Ru1 Ru5 H1 81.8(18) . . ?
Ru3 Ru5 H1 88.0(19) . . ?
C51 Ru5 H2 161(2) . . ?
C52 Ru5 H2 87(2) . . ?
C1 Ru5 H2 84(2) . . ?
Ge1 Ru5 H2 72(2) . . ?
Ru4 Ru5 H2 86(2) . . ?
Ru2 Ru5 H2 85(2) . . ?
Ru1 Ru5 H2 39(2) . . ?
Ru3 Ru5 H2 125(2) . . ?
H1 Ru5 H2 85(3) . . ?
C73 Ge1 C85 106.8(3) . . ?
C73 Ge1 C79 101.8(3) . . ?
C85 Ge1 C79 108.3(3) . . ?
C73 Ge1 Ru5 113.47(17) . . ?
C85 Ge1 Ru5 109.69(19) . . ?
C79 Ge1 Ru5 116.2(2) . . ?
C61 P1 C69 109.8(4) . . ?
C61 P1 C65 107.1(4) . . ?
C69 P1 C65 109.3(4) . . ?
C61 P1 Pt1 113.6(3) . . ?
C69 P1 Pt1 105.6(3) . . ?
C65 P1 Pt1 111.4(3) . . ?
Ru3 C1 Ru4 88.3(2) . . ?
Ru3 C1 Ru1 179.2(4) . . ?
Ru4 C1 Ru1 90.9(2) . . ?
Ru3 C1 Ru2 92.0(2) . . ?
Ru4 C1 Ru2 175.8(4) . . ?
Ru1 C1 Ru2 88.8(2) . . ?
Ru3 C1 Ru5 92.2(2) . . ?
Ru4 C1 Ru5 88.8(2) . . ?
Ru1 C1 Ru5 87.8(2) . . ?
Ru2 C1 Ru5 87.0(2) . . ?
O11 C11 Ru1 176.7(7) . . ?
O12 C12 Ru1 178.0(8) . . ?
O13 C13 Ru1 177.8(7) . . ?
O21 C21 Ru2 177.9(8) . . ?
O22 C22 Ru2 176.0(9) . . ?
O23 C23 Ru2 173.9(8) . . ?
O31 C31 Ru3 177.4(7) . . ?
O32 C32 Ru3 175.8(7) . . ?
O41 C41 Ru4 176.2(7) . . ?
O42 C42 Ru4 176.7(7) . . ?
O51 C51 Ru5 172.5(7) . . ?
O52 C52 Ru5 173.1(6) . . ?
O53 C53 Pt1 177.5(8) . . ?
C62 C61 C63 104.0(8) . . ?
C62 C61 C64 110.0(9) . . ?
C63 C61 C64 102.7(9) . . ?
C62 C61 P1 111.4(7) . . ?
C63 C61 P1 112.8(6) . . ?
C64 C61 P1 115.0(7) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C61 C64 H64A 109.5 . . ?
C61 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C61 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C67 C65 C66 105.7(9) . . ?
C67 C65 C68 109.6(9) . . ?
C66 C65 C68 105.8(9) . . ?
C67 C65 P1 110.1(7) . . ?
C66 C65 P1 110.6(6) . . ?
C68 C65 P1 114.6(7) . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C65 C67 H67A 109.5 . . ?
C65 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C65 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C65 C68 H68A 109.5 . . ?
C65 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C65 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C70 C69 C71 107.3(9) . . ?
C70 C69 C72 110.9(10) . . ?
C71 C69 C72 103.6(8) . . ?
C70 C69 P1 116.2(7) . . ?
C71 C69 P1 110.2(6) . . ?
C72 C69 P1 107.8(6) . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C69 C71 H71A 109.5 . . ?
C69 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C69 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C69 C72 H72A 109.5 . . ?
C69 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C69 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C74 C73 C78 116.5(7) . . ?
C74 C73 Ge1 119.7(5) . . ?
C78 C73 Ge1 123.8(5) . . ?
C73 C74 C75 121.1(8) . . ?
C73 C74 H74 119.4 . . ?
C75 C74 H74 119.4 . . ?
C76 C75 C74 120.5(8) . . ?
C76 C75 H75 119.8 . . ?
C74 C75 H75 119.8 . . ?
C75 C76 C77 119.2(8) . . ?
C75 C76 H76 120.4 . . ?
C77 C76 H76 120.4 . . ?
C76 C77 C78 120.8(8) . . ?
C76 C77 H77 119.6 . . ?
C78 C77 H77 119.6 . . ?
C77 C78 C73 121.9(8) . . ?
C77 C78 H78 119.0 . . ?
C73 C78 H78 119.0 . . ?
C84 C79 C80 117.0(7) . . ?
C84 C79 Ge1 118.6(6) . . ?
C80 C79 Ge1 124.3(5) . . ?
C81 C80 C79 120.9(8) . . ?
C81 C80 H80 119.6 . . ?
C79 C80 H80 119.6 . . ?
C82 C81 C80 120.2(8) . . ?
C82 C81 H81 119.9 . . ?
C80 C81 H81 119.9 . . ?
C83 C82 C81 119.8(8) . . ?
C83 C82 H82 120.1 . . ?
C81 C82 H82 120.1 . . ?
C82 C83 C84 120.1(8) . . ?
C82 C83 H83 119.9 . . ?
C84 C83 H83 119.9 . . ?
C79 C84 C83 122.0(8) . . ?
C79 C84 H84 119.0 . . ?
C83 C84 H84 119.0 . . ?
C90 C85 C86 117.6(6) . . ?
C90 C85 Ge1 119.6(5) . . ?
C86 C85 Ge1 122.7(5) . . ?
C85 C86 C87 119.8(7) . . ?
C85 C86 H86 120.1 . . ?
C87 C86 H86 120.1 . . ?
C88 C87 C86 120.4(8) . . ?
C88 C87 H87 119.8 . . ?
C86 C87 H87 119.8 . . ?
C89 C88 C87 121.0(7) . . ?
C89 C88 H88 119.5 . . ?
C87 C88 H88 119.5 . . ?
C88 C89 C90 119.2(8) . . ?
C88 C89 H89 120.4 . . ?
C90 C89 H89 120.4 . . ?
C89 C90 C85 121.8(7) . . ?
C89 C90 H90 119.1 . . ?
C85 C90 H90 119.1 . . ?
C2S C1S H1S1 109.5 . . ?
C2S C1S H1S2 109.5 . . ?
H1S1 C1S H1S2 109.5 . . ?
C2S C1S H1S3 109.5 . . ?
H1S1 C1S H1S3 109.5 . . ?
H1S2 C1S H1S3 109.5 . . ?
C2S C3S C3S 84(3) . 3_665 ?
C2S C3S H3S1 114.7 . . ?
C3S C3S H3S1 114.7 3_665 . ?
C2S C3S H3S2 114.7 . . ?
C3S C3S H3S2 114.7 3_665 . ?
H3S1 C3S H3S2 111.8 . . ?
C1S C2S C3S 107.0(10) . . ?
C1S C2S H2S1 110.3 . . ?
C3S C2S H2S1 110.3 . . ?
C1S C2S H2S2 110.3 . . ?
C3S C2S H2S2 110.3 . . ?
H2S1 C2S H2S2 108.6 . . ?
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 C53 1.853(9) . ?
Pt1 P1 2.3745(18) . ?
Pt1 Ru3 2.6683(6) . ?
Pt1 Ru4 2.8363(6) . ?
Pt1 H3 1.79(7) . ?
Ru1 C11 1.918(7) . ?
Ru1 C12 1.923(8) . ?
Ru1 C13 1.928(8) . ?
Ru1 C1 2.035(6) . ?
Ru1 Ru4 2.8627(8) . ?
Ru1 Ru2 2.8654(8) . ?
Ru1 Ru5 2.8831(7) . ?
Ru1 H2 1.85(8) . ?
Ru2 C23 1.889(8) . ?
Ru2 C21 1.914(8) . ?
Ru2 C22 1.926(8) . ?
Ru2 C1 2.062(6) . ?
Ru2 Ru5 2.8821(7) . ?
Ru2 Ru3 2.8892(7) . ?
Ru2 H1 1.86(5) . ?
Ru3 C31 1.838(7) . ?
Ru3 C32 1.901(8) . ?
Ru3 C1 1.952(6) . ?
Ru3 Ru4 2.7414(7) . ?
Ru3 Ru5 2.9392(7) . ?
Ru4 C41 1.849(7) . ?
Ru4 C42 1.913(7) . ?
Ru4 C1 1.982(6) . ?
Ru4 Ru5 2.8743(7) . ?
Ru4 H3 1.70(8) . ?
Ru5 C51 1.890(7) . ?
Ru5 C52 1.899(7) . ?
Ru5 C1 2.123(6) . ?
Ru5 Ge1 2.5362(8) . ?
Ru5 H1 1.66(5) . ?
Ru5 H2 1.85(8) . ?
Ge1 C73 1.960(6) . ?
Ge1 C85 1.965(6) . ?
Ge1 C79 1.972(7) . ?
P1 C61 1.885(8) . ?
P1 C69 1.898(8) . ?
P1 C65 1.911(9) . ?
O11 C11 1.121(8) . ?
O12 C12 1.104(9) . ?
O13 C13 1.122(9) . ?
O21 C21 1.120(9) . ?
O22 C22 1.104(9) . ?
O23 C23 1.142(9) . ?
O31 C31 1.136(8) . ?
O32 C32 1.144(9) . ?
O41 C41 1.133(9) . ?
O42 C42 1.126(8) . ?
O51 C51 1.137(8) . ?
O52 C52 1.132(8) . ?
O53 C53 1.132(9) . ?
C61 C62 1.499(12) . ?
C61 C63 1.514(12) . ?
C61 C64 1.564(13) . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 C67 1.530(13) . ?
C65 C66 1.537(13) . ?
C65 C68 1.564(13) . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 0.9600 . ?
C69 C70 1.489(13) . ?
C69 C71 1.522(13) . ?
C69 C72 1.545(13) . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
C73 C74 1.378(10) . ?
C73 C78 1.386(10) . ?
C74 C75 1.395(11) . ?
C74 H74 0.9300 . ?
C75 C76 1.355(13) . ?
C75 H75 0.9300 . ?
C76 C77 1.356(12) . ?
C76 H76 0.9300 . ?
C77 C78 1.367(11) . ?
C77 H77 0.9300 . ?
C78 H78 0.9300 . ?
C79 C84 1.367(10) . ?
C79 C80 1.386(10) . ?
C80 C81 1.384(11) . ?
C80 H80 0.9300 . ?
C81 C82 1.360(12) . ?
C81 H81 0.9300 . ?
C82 C83 1.348(12) . ?
C82 H82 0.9300 . ?
C83 C84 1.377(11) . ?
C83 H83 0.9300 . ?
C84 H84 0.9300 . ?
C85 C90 1.394(9) . ?
C85 C86 1.394(9) . ?
C86 C87 1.398(11) . ?
C86 H86 0.9300 . ?
C87 C88 1.361(12) . ?
C87 H87 0.9300 . ?
C88 C89 1.360(11) . ?
C88 H88 0.9300 . ?
C89 C90 1.384(10) . ?
C89 H89 0.9300 . ?
C90 H90 0.9300 . ?
C1S C2S 1.491(10) . ?
C1S H1S1 0.9600 . ?
C1S H1S2 0.9600 . ?
C1S H1S3 0.9600 . ?
C3S C2S 1.494(10) . ?
C3S C3S 1.57(6) 3_665 ?
C3S H3S1 0.9700 . ?
C3S H3S2 0.9700 . ?
C2S H2S1 0.9700 . ?
C2S H2S2 0.9700 . ?
