#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:52:44 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179310 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/07/4320774.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_4320774
loop_
_publ_author_name
'Maxim V. Ovchinnikov'
'Arkady M. Ellern'
'Ilia A. Guzei'
'Robert J. Angelici'
_publ_section_title
;
 Reactions of the Protonated Dinuclear Ruthenium Complex
 [{(η5-C5H3)2(SiMe2)2}Ru2(CO)4(μ-H)]+ with Nucleophiles
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7014
_journal_page_last               7019
_journal_paper_doi               10.1021/ic010644n
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C19 H22 O5 Ru2 S Si2'
_chemical_formula_weight         620.75
_chemical_name_systematic
; 

 ? 

;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.7868(10)
_cell_angle_beta                 106.5317(10)
_cell_angle_gamma                102.3499(10)
_cell_formula_units_Z            4
_cell_length_a                   10.5499(4)
_cell_length_b                   14.3295(6)
_cell_length_c                   16.4601(7)
_cell_measurement_temperature    173(2)
_cell_volume                     2314.31(16)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and 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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0245
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9379
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    1.526
_exptl_absorpt_correction_T_max  0.6575
_exptl_absorpt_correction_T_min  0.5805
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1232
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.471
_refine_diff_density_min         -0.437
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     533
_refine_ls_number_reflns         9379
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0230
_refine_ls_R_factor_gt           0.0201
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0212P)²+1.4146P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0504
_refine_ls_wR_factor_ref         0.0515
_reflns_number_gt                8574
_reflns_number_total             9379
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010644n_3.cif
_cod_data_source_block           8a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4320774
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
Ru1 Ru 0.198473(18) 0.693719(12) 0.321122(11) 0.02333(5) Uani 1 1 d . . .
Ru2 Ru -0.029479(19) 0.825637(12) 0.410265(11) 0.02203(5) Uani 1 1 d . . .
Ru3 Ru 0.325461(17) 0.275531(12) 0.293107(11) 0.02021(5) Uani 1 1 d . . .
Ru4 Ru 0.532141(17) 0.441054(12) 0.166547(11) 0.01909(4) Uani 1 1 d . . .
S1 S -0.00298(6) 0.67607(4) 0.36281(4) 0.02756(12) Uani 1 1 d . . .
S2 S 0.52851(6) 0.39399(4) 0.30184(3) 0.02365(11) Uani 1 1 d . . .
Si1 Si -0.01034(6) 0.78445(4) 0.13618(4) 0.02114(12) Uani 1 1 d . . .
Si2 Si -0.23609(6) 0.84927(4) 0.20158(4) 0.02202(12) Uani 1 1 d . . .
Si3 Si 0.45535(6) 0.11277(4) 0.17419(4) 0.02242(13) Uani 1 1 d . . .
Si4 Si 0.72817(6) 0.26439(4) 0.17280(4) 0.02410(13) Uani 1 1 d . . .
O1 O 0.3598(3) 0.61840(16) 0.47563(14) 0.0653(7) Uani 1 1 d . . .
O2 O 0.08936(19) 0.49309(13) 0.22462(12) 0.0407(4) Uani 1 1 d . . .
O3 O -0.13179(15) 0.79010(10) 0.17765(9) 0.0234(3) Uani 1 1 d . . .
O4 O 0.2207(2) 0.85122(16) 0.56013(12) 0.0521(5) Uani 1 1 d . . .
O5 O 0.10763(17) 0.97990(11) 0.33411(11) 0.0309(4) Uani 1 1 d . . .
O6 O 0.4639(2) 0.18145(15) 0.44309(12) 0.0470(5) Uani 1 1 d . . .
O7 O 0.2254(2) 0.40015(14) 0.40292(13) 0.0474(5) Uani 1 1 d . . .
O8 O 0.58597(17) 0.19467(12) 0.17472(14) 0.0448(5) Uani 1 1 d . . .
O9 O 0.3208(2) 0.55660(14) 0.14351(14) 0.0477(5) Uani 1 1 d . . .
O10 O 0.35266(17) 0.29169(12) 0.03172(10) 0.0306(4) Uani 1 1 d . . .
C1 C 0.1510(2) 0.79892(15) 0.22663(14) 0.0216(4) Uani 1 1 d . . .
C2 C 0.2720(2) 0.76883(17) 0.22217(16) 0.0288(5) Uani 1 1 d . . .
H2 H 0.2804 0.7355 0.1734 0.035 Uiso 1 1 calc R . .
C3 C 0.3755(2) 0.79651(17) 0.30118(17) 0.0326(5) Uani 1 1 d . . .
H3 H 0.4640 0.7847 0.3146 0.039 Uiso 1 1 calc R . .
C4 C 0.3231(2) 0.84568(16) 0.35760(15) 0.0287(5) Uani 1 1 d . . .
H4 H 0.3708 0.8726 0.4149 0.034 Uiso 1 1 calc R . .
C5 C 0.1871(2) 0.84697(15) 0.31249(14) 0.0232(4) Uani 1 1 d . . .
C6 C 0.2950(3) 0.64462(18) 0.41730(18) 0.0415(6) Uani 1 1 d . . .
C7 C 0.1302(2) 0.56855(17) 0.26059(15) 0.0291(5) Uani 1 1 d . . .
C8 C 0.0113(3) 0.88230(18) 0.06777(16) 0.0351(6) Uani 1 1 d . . .
H8A H -0.0740 0.8765 0.0220 0.053 Uiso 1 1 calc R . .
H8B H 0.0840 0.8773 0.0429 0.053 Uiso 1 1 calc R . .
H8C H 0.0354 0.9448 0.1023 0.053 Uiso 1 1 calc R . .
C9 C -0.0407(2) 0.66681(17) 0.07304(15) 0.0296(5) Uani 1 1 d . . .
H9A H -0.0511 0.6152 0.1093 0.044 Uiso 1 1 calc R . .
H9B H 0.0367 0.6657 0.0517 0.044 Uiso 1 1 calc R . .
H9C H -0.1238 0.6574 0.0248 0.044 Uiso 1 1 calc R . .
C10 C -0.1922(3) 0.97645(16) 0.18037(16) 0.0321(5) Uani 1 1 d . . .
H10A H -0.0977 1.0064 0.2136 0.048 Uiso 1 1 calc R . .
H10B H -0.2530 1.0114 0.1968 0.048 Uiso 1 1 calc R . .
H10C H -0.2026 0.9786 0.1195 0.048 Uiso 1 1 calc R . .
C11 C -0.4130(2) 0.78719(18) 0.13950(16) 0.0329(5) Uani 1 1 d . . .
H11A H -0.4217 0.7824 0.0785 0.049 Uiso 1 1 calc R . .
H11B H -0.4760 0.8238 0.1508 0.049 Uiso 1 1 calc R . .
H11C H -0.4350 0.7225 0.1564 0.049 Uiso 1 1 calc R . .
C12 C -0.2206(2) 0.84848(16) 0.31723(14) 0.0246(5) Uani 1 1 d . . .
C13 C -0.2593(2) 0.76779(17) 0.35991(16) 0.0306(5) Uani 1 1 d . . .
H13 H -0.3000 0.7040 0.3328 0.037 Uiso 1 1 calc R . .
C14 C -0.2291(3) 0.7957(2) 0.44736(17) 0.0388(6) Uani 1 1 d . . .
H14 H -0.2471 0.7553 0.4888 0.047 Uiso 1 1 calc R . .
C15 C -0.1663(3) 0.89610(19) 0.46269(16) 0.0365(6) Uani 1 1 d . . .
H15 H -0.1331 0.9344 0.5165 0.044 Uiso 1 1 calc R . .
C16 C -0.1624(2) 0.92855(17) 0.38314(15) 0.0290(5) Uani 1 1 d . . .
H16 H -0.1271 0.9929 0.3748 0.035 Uiso 1 1 calc R . .
C17 C 0.1231(3) 0.84192(17) 0.50359(15) 0.0317(5) Uani 1 1 d . . .
C18 C 0.0968(2) 0.89551(15) 0.34863(13) 0.0216(4) Uani 1 1 d . . .
C19 C 0.0152(4) 0.6064(2) 0.4527(2) 0.0559(9) Uani 1 1 d . . .
H19A H 0.0977 0.6383 0.4987 0.084 Uiso 1 1 calc R . .
H19B H 0.0219 0.5419 0.4348 0.084 Uiso 1 1 calc R . .
H19C H -0.0643 0.6014 0.4733 0.084 Uiso 1 1 calc R . .
C20 C 0.3184(2) 0.17317(15) 0.18365(13) 0.0206(4) Uani 1 1 d . . .
C21 C 0.2070(2) 0.13607(16) 0.21715(14) 0.0250(5) Uani 1 1 d . . .
H21 H 0.1942 0.0777 0.2420 0.030 Uiso 1 1 calc R . .
C22 C 0.1207(2) 0.20008(17) 0.20705(15) 0.0275(5) Uani 1 1 d . . .
H22 H 0.0403 0.1922 0.2238 0.033 Uiso 1 1 calc R . .
C23 C 0.1755(2) 0.27954(16) 0.16696(14) 0.0242(5) Uani 1 1 d . . .
H23 H 0.1384 0.3336 0.1527 0.029 Uiso 1 1 calc R . .
C24 C 0.2952(2) 0.26205(15) 0.15266(13) 0.0193(4) Uani 1 1 d . . .
C25 C 0.4153(2) 0.21987(17) 0.38810(15) 0.0294(5) Uani 1 1 d . . .
C26 C 0.2669(3) 0.35440(17) 0.36261(15) 0.0312(5) Uani 1 1 d . . .
C27 C 0.4941(3) 0.0407(2) 0.26414(18) 0.0425(7) Uani 1 1 d . . .
H27A H 0.5496 -0.0024 0.2532 0.064 Uiso 1 1 calc R . .
H27B H 0.4089 0.0025 0.2701 0.064 Uiso 1 1 calc R . .
H27C H 0.5442 0.0837 0.3169 0.064 Uiso 1 1 calc R . .
C28 C 0.3919(3) 0.0350(2) 0.07149(19) 0.0530(8) Uani 1 1 d . . .
H28A H 0.3785 0.0748 0.0245 0.080 Uiso 1 1 calc R . .
H28B H 0.3052 -0.0093 0.0679 0.080 Uiso 1 1 calc R . .
H28C H 0.4585 -0.0021 0.0675 0.080 Uiso 1 1 calc R . .
C29 C 0.7779(3) 0.21482(18) 0.08346(16) 0.0345(6) Uani 1 1 d . . .
H29A H 0.7950 0.1513 0.0940 0.052 Uiso 1 1 calc R . .
H29B H 0.8608 0.2580 0.0791 0.052 Uiso 1 1 calc R . .
H29C H 0.7043 0.2090 0.0300 0.052 Uiso 1 1 calc R . .
C30 C 0.8532(3) 0.27255(19) 0.27904(16) 0.0370(6) Uani 1 1 d . . .
H30A H 0.8204 0.3003 0.3225 0.056 Uiso 1 1 calc R . .
H30B H 0.9407 0.3136 0.2797 0.056 Uiso 1 1 calc R . .
H30C H 0.8647 0.2081 0.2913 0.056 Uiso 1 1 calc R . .
C31 C 0.7102(2) 0.38792(15) 0.15307(14) 0.0235(5) Uani 1 1 d . . .
C32 C 0.6447(2) 0.42070(16) 0.07447(15) 0.0250(5) Uani 1 1 d . . .
H32 H 0.6021 0.3815 0.0214 0.030 Uiso 1 1 calc R . .
C33 C 0.6535(2) 0.52027(16) 0.08821(15) 0.0276(5) Uani 1 1 d . . .
H33 H 0.6153 0.5587 0.0469 0.033 Uiso 1 1 calc R . .
C34 C 0.7298(2) 0.55267(16) 0.17505(16) 0.0281(5) Uani 1 1 d . . .
H34 H 0.7538 0.6170 0.2016 0.034 Uiso 1 1 calc R . .
C35 C 0.7634(2) 0.47300(16) 0.21439(15) 0.0257(5) Uani 1 1 d . . .
H35 H 0.8137 0.4747 0.2726 0.031 Uiso 1 1 calc R . .
C36 C 0.4008(2) 0.51130(16) 0.15392(15) 0.0279(5) Uani 1 1 d . . .
C37 C 0.3821(2) 0.32414(15) 0.10652(13) 0.0199(4) Uani 1 1 d . . .
C38 C 0.5283(3) 0.50222(17) 0.36387(16) 0.0386(6) Uani 1 1 d . . .
H38A H 0.6117 0.5513 0.3694 0.058 Uiso 1 1 calc R . .
H38B H 0.5242 0.4874 0.4207 0.058 Uiso 1 1 calc R . .
H38C H 0.4489 0.5264 0.3350 0.058 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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
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
C6 Ru1 C7 90.79(11) . . ?
C6 Ru1 C2 129.83(11) . . ?
C7 Ru1 C2 98.28(9) . . ?
C6 Ru1 C3 97.72(11) . . ?
C7 Ru1 C3 121.51(10) . . ?
C2 Ru1 C3 36.97(9) . . ?
C6 Ru1 C5 125.97(10) . . ?
C7 Ru1 C5 143.13(9) . . ?
C2 Ru1 C5 62.13(8) . . ?
C3 Ru1 C5 62.17(8) . . ?
C6 Ru1 C4 95.89(10) . . ?
C7 Ru1 C4 158.57(9) . . ?
C2 Ru1 C4 62.03(9) . . ?
C3 Ru1 C4 37.42(9) . . ?
C5 Ru1 C4 36.97(8) . . ?
C6 Ru1 C1 158.42(10) . . ?
C7 Ru1 C1 107.44(9) . . ?
C2 Ru1 C1 37.88(8) . . ?
C3 Ru1 C1 63.13(8) . . ?
C5 Ru1 C1 37.77(8) . . ?
C4 Ru1 C1 62.99(8) . . ?
C6 Ru1 S1 94.67(10) . . ?
C7 Ru1 S1 89.59(7) . . ?
C2 Ru1 S1 134.33(6) . . ?
C3 Ru1 S1 146.11(7) . . ?
C5 Ru1 S1 85.09(6) . . ?
C4 Ru1 S1 110.04(6) . . ?
C1 Ru1 S1 96.86(6) . . ?
C17 Ru2 C18 86.52(10) . . ?
C17 Ru2 C16 124.56(10) . . ?
C18 Ru2 C16 92.54(9) . . ?
C17 Ru2 C12 161.98(9) . . ?
C18 Ru2 C12 94.72(8) . . ?
C16 Ru2 C12 37.47(8) . . ?
C17 Ru2 C15 102.30(10) . . ?
C18 Ru2 C15 123.17(9) . . ?
C16 Ru2 C15 36.94(9) . . ?
C12 Ru2 C15 62.10(9) . . ?
C17 Ru2 C13 145.29(10) . . ?
C18 Ru2 C13 128.17(9) . . ?
C16 Ru2 C13 60.80(9) . . ?
C12 Ru2 C13 36.71(8) . . ?
C15 Ru2 C13 60.29(9) . . ?
C17 Ru2 C14 112.47(10) . . ?
C18 Ru2 C14 152.76(9) . . ?
C16 Ru2 C14 60.81(9) . . ?
C12 Ru2 C14 61.11(9) . . ?
C15 Ru2 C14 36.30(10) . . ?
C13 Ru2 C14 35.50(9) . . ?
C17 Ru2 S1 91.61(8) . . ?
C18 Ru2 S1 91.47(6) . . ?
C16 Ru2 S1 143.77(6) . . ?
C12 Ru2 S1 106.31(6) . . ?
C15 Ru2 S1 142.95(7) . . ?
C13 Ru2 S1 89.00(6) . . ?
C14 Ru2 S1 106.66(7) . . ?
C26 Ru3 C25 91.73(10) . . ?
C26 Ru3 C21 127.00(9) . . ?
C25 Ru3 C21 94.87(9) . . ?
C26 Ru3 C22 97.35(10) . . ?
C25 Ru3 C22 121.15(9) . . ?
C21 Ru3 C22 36.97(8) . . ?
C26 Ru3 C24 131.35(9) . . ?
C25 Ru3 C24 136.91(9) . . ?
C21 Ru3 C24 62.15(8) . . ?
C22 Ru3 C24 62.12(8) . . ?
C26 Ru3 C23 99.33(9) . . ?
C25 Ru3 C23 157.00(9) . . ?
C21 Ru3 C23 62.39(8) . . ?
C22 Ru3 C23 37.67(8) . . ?
C24 Ru3 C23 37.00(7) . . ?
C26 Ru3 C20 159.86(9) . . ?
C25 Ru3 C20 101.87(9) . . ?
C21 Ru3 C20 37.90(8) . . ?
C22 Ru3 C20 62.92(8) . . ?
C24 Ru3 C20 37.48(7) . . ?
C23 Ru3 C20 62.92(8) . . ?
C26 Ru3 S2 93.93(7) . . ?
C25 Ru3 S2 92.45(7) . . ?
C21 Ru3 S2 138.03(6) . . ?
C22 Ru3 S2 143.97(6) . . ?
C24 Ru3 S2 84.91(5) . . ?
C23 Ru3 S2 106.72(6) . . ?
C20 Ru3 S2 100.18(5) . . ?
C36 Ru4 C37 88.40(9) . . ?
C36 Ru4 C32 126.13(9) . . ?
C37 Ru4 C32 90.67(8) . . ?
C36 Ru4 C31 161.65(9) . . ?
C37 Ru4 C31 98.76(8) . . ?
C32 Ru4 C31 37.62(8) . . ?
C36 Ru4 C33 99.13(9) . . ?
C37 Ru4 C33 117.22(9) . . ?
C32 Ru4 C33 36.87(8) . . ?
C31 Ru4 C33 62.56(8) . . ?
C36 Ru4 C35 136.43(9) . . ?
C37 Ru4 C35 134.86(8) . . ?
C32 Ru4 C35 61.12(8) . . ?
C31 Ru4 C35 37.34(8) . . ?
C33 Ru4 C35 60.68(8) . . ?
C36 Ru4 C34 104.88(9) . . ?
C37 Ru4 C34 151.23(8) . . ?
C32 Ru4 C34 60.81(8) . . ?
C31 Ru4 C34 61.64(8) . . ?
C33 Ru4 C34 36.43(9) . . ?
C35 Ru4 C34 35.61(8) . . ?
C36 Ru4 S2 96.82(7) . . ?
C37 Ru4 S2 91.32(6) . . ?
C32 Ru4 S2 137.05(6) . . ?
C31 Ru4 S2 99.86(6) . . ?
C33 Ru4 S2 147.46(6) . . ?
C35 Ru4 S2 88.45(6) . . ?
C34 Ru4 S2 111.76(6) . . ?
C19 S1 Ru2 106.75(10) . . ?
C19 S1 Ru1 107.89(11) . . ?
Ru2 S1 Ru1 111.13(2) . . ?
C38 S2 Ru4 105.09(8) . . ?
C38 S2 Ru3 108.05(9) . . ?
Ru4 S2 Ru3 111.96(2) . . ?
O3 Si1 C9 112.39(10) . . ?
O3 Si1 C8 110.61(10) . . ?
C9 Si1 C8 109.42(11) . . ?
O3 Si1 C1 107.53(9) . . ?
C9 Si1 C1 107.41(10) . . ?
C8 Si1 C1 109.38(11) . . ?
O3 Si2 C11 108.68(10) . . ?
O3 Si2 C10 110.35(10) . . ?
C11 Si2 C10 111.99(12) . . ?
O3 Si2 C12 109.60(9) . . ?
C11 Si2 C12 108.09(11) . . ?
C10 Si2 C12 108.09(11) . . ?
O8 Si3 C28 109.47(14) . . ?
O8 Si3 C27 111.79(12) . . ?
C28 Si3 C27 110.63(15) . . ?
O8 Si3 C20 108.07(9) . . ?
C28 Si3 C20 108.01(12) . . ?
C27 Si3 C20 108.76(11) . . ?
O8 Si4 C30 107.47(12) . . ?
O8 Si4 C31 111.87(9) . . ?
C30 Si4 C31 107.63(11) . . ?
O8 Si4 C29 108.24(12) . . ?
C30 Si4 C29 114.41(12) . . ?
C31 Si4 C29 107.30(11) . . ?
Si1 O3 Si2 150.45(10) . . ?
Si3 O8 Si4 171.45(13) . . ?
C5 C1 C2 104.88(19) . . ?
C5 C1 Si1 129.04(16) . . ?
C2 C1 Si1 125.95(16) . . ?
C5 C1 Ru1 70.62(12) . . ?
C2 C1 Ru1 70.20(12) . . ?
Si1 C1 Ru1 126.44(10) . . ?
C3 C2 C1 109.9(2) . . ?
C3 C2 Ru1 71.84(14) . . ?
C1 C2 Ru1 71.92(12) . . ?
C2 C3 C4 107.8(2) . . ?
C2 C3 Ru1 71.18(13) . . ?
C4 C3 Ru1 71.67(13) . . ?
C5 C4 C3 107.8(2) . . ?
C5 C4 Ru1 71.18(12) . . ?
C3 C4 Ru1 70.91(13) . . ?
C4 C5 C1 109.65(19) . . ?
C4 C5 C18 124.5(2) . . ?
C1 C5 C18 125.84(19) . . ?
C4 C5 Ru1 71.85(13) . . ?
C1 C5 Ru1 71.61(12) . . ?
C18 C5 Ru1 124.94(14) . . ?
O1 C6 Ru1 176.3(3) . . ?
O2 C7 Ru1 179.6(2) . . ?
C13 C12 C16 105.2(2) . . ?
C13 C12 Si2 127.47(18) . . ?
C16 C12 Si2 127.31(17) . . ?
C13 C12 Ru2 72.43(14) . . ?
C16 C12 Ru2 69.94(13) . . ?
Si2 C12 Ru2 120.46(10) . . ?
C14 C13 C12 110.6(2) . . ?
C14 C13 Ru2 73.75(15) . . ?
C12 C13 Ru2 70.86(13) . . ?
C13 C14 C15 107.4(2) . . ?
C13 C14 Ru2 70.74(14) . . ?
C15 C14 Ru2 69.63(14) . . ?
C16 C15 C14 107.8(2) . . ?
C16 C15 Ru2 70.15(13) . . ?
C14 C15 Ru2 74.07(14) . . ?
C15 C16 C12 109.1(2) . . ?
C15 C16 Ru2 72.92(14) . . ?
C12 C16 Ru2 72.59(13) . . ?
O4 C17 Ru2 177.7(2) . . ?
O5 C18 C5 112.21(19) . . ?
O5 C18 Ru2 125.02(16) . . ?
C5 C18 Ru2 122.74(14) . . ?
C24 C20 C21 105.54(18) . . ?
C24 C20 Si3 127.19(15) . . ?
C21 C20 Si3 127.09(16) . . ?
C24 C20 Ru3 71.01(11) . . ?
C21 C20 Ru3 70.17(12) . . ?
Si3 C20 Ru3 127.09(11) . . ?
C22 C21 C20 109.36(19) . . ?
C22 C21 Ru3 71.82(13) . . ?
C20 C21 Ru3 71.93(12) . . ?
C21 C22 C23 108.11(19) . . ?
C21 C22 Ru3 71.21(13) . . ?
C23 C22 Ru3 71.55(12) . . ?
C24 C23 C22 107.21(19) . . ?
C24 C23 Ru3 71.46(12) . . ?
C22 C23 Ru3 70.77(13) . . ?
C23 C24 C20 109.78(18) . . ?
C23 C24 C37 125.59(19) . . ?
C20 C24 C37 124.53(18) . . ?
C23 C24 Ru3 71.55(12) . . ?
C20 C24 Ru3 71.51(12) . . ?
C37 C24 Ru3 126.31(14) . . ?
O6 C25 Ru3 176.0(2) . . ?
O7 C26 Ru3 176.9(2) . . ?
C32 C31 C35 105.06(19) . . ?
C32 C31 Si4 128.25(17) . . ?
C35 C31 Si4 126.67(17) . . ?
C32 C31 Ru4 70.62(12) . . ?
C35 C31 Ru4 72.90(12) . . ?
Si4 C31 Ru4 122.17(10) . . ?
C33 C32 C31 109.5(2) . . ?
C33 C32 Ru4 72.66(13) . . ?
C31 C32 Ru4 71.76(12) . . ?
C32 C33 C34 107.7(2) . . ?
C32 C33 Ru4 70.47(12) . . ?
C34 C33 Ru4 74.00(13) . . ?
C35 C34 C33 107.9(2) . . ?
C35 C34 Ru4 71.04(13) . . ?
C33 C34 Ru4 69.57(12) . . ?
C34 C35 C31 109.7(2) . . ?
C34 C35 Ru4 73.35(13) . . ?
C31 C35 Ru4 69.76(12) . . ?
O9 C36 Ru4 177.3(2) . . ?
O10 C37 C24 111.32(18) . . ?
O10 C37 Ru4 125.97(16) . . ?
C24 C37 Ru4 122.65(14) . . ?
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
Ru1 C6 1.880(3) . ?
Ru1 C7 1.896(2) . ?
Ru1 C2 2.224(2) . ?
Ru1 C3 2.233(2) . ?
Ru1 C5 2.234(2) . ?
Ru1 C4 2.243(2) . ?
Ru1 C1 2.247(2) . ?
Ru1 S1 2.3809(6) . ?
Ru2 C17 1.844(3) . ?
Ru2 C18 2.026(2) . ?
Ru2 C16 2.221(2) . ?
Ru2 C12 2.256(2) . ?
Ru2 C15 2.257(2) . ?
Ru2 C13 2.277(2) . ?
Ru2 C14 2.316(2) . ?
Ru2 S1 2.3450(6) . ?
Ru3 C26 1.882(2) . ?
Ru3 C25 1.892(2) . ?
Ru3 C21 2.218(2) . ?
Ru3 C22 2.225(2) . ?
Ru3 C24 2.235(2) . ?
Ru3 C23 2.236(2) . ?
Ru3 C20 2.241(2) . ?
Ru3 S2 2.3951(6) . ?
Ru4 C36 1.852(2) . ?
Ru4 C37 2.026(2) . ?
Ru4 C32 2.219(2) . ?
Ru4 C31 2.234(2) . ?
Ru4 C33 2.247(2) . ?
Ru4 C35 2.276(2) . ?
Ru4 C34 2.305(2) . ?
Ru4 S2 2.3662(6) . ?
S1 C19 1.813(3) . ?
S2 C38 1.816(2) . ?
Si1 O3 1.6282(15) . ?
Si1 C9 1.853(2) . ?
Si1 C8 1.857(2) . ?
Si1 C1 1.880(2) . ?
Si2 O3 1.6424(15) . ?
Si2 C11 1.854(2) . ?
Si2 C10 1.858(2) . ?
Si2 C12 1.864(2) . ?
Si3 O8 1.6052(17) . ?
Si3 C28 1.845(3) . ?
Si3 C27 1.847(3) . ?
Si3 C20 1.874(2) . ?
Si4 O8 1.6244(17) . ?
Si4 C30 1.847(3) . ?
Si4 C31 1.855(2) . ?
Si4 C29 1.855(2) . ?
O1 C6 1.141(3) . ?
O2 C7 1.140(3) . ?
O4 C17 1.153(3) . ?
O5 C18 1.232(3) . ?
O6 C25 1.136(3) . ?
O7 C26 1.143(3) . ?
O9 C36 1.151(3) . ?
O10 C37 1.222(3) . ?
C1 C5 1.450(3) . ?
C1 C2 1.451(3) . ?
C2 C3 1.413(3) . ?
C3 C4 1.435(3) . ?
C4 C5 1.419(3) . ?
C5 C18 1.521(3) . ?
C12 C13 1.428(3) . ?
C12 C16 1.438(3) . ?
C13 C14 1.401(4) . ?
C14 C15 1.426(4) . ?
C15 C16 1.419(3) . ?
C20 C24 1.438(3) . ?
C20 C21 1.448(3) . ?
C21 C22 1.409(3) . ?
C22 C23 1.440(3) . ?
C23 C24 1.418(3) . ?
C24 C37 1.524(3) . ?
C31 C32 1.436(3) . ?
C31 C35 1.444(3) . ?
C32 C33 1.413(3) . ?
C33 C34 1.424(3) . ?
C34 C35 1.401(3) . ?
