#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:20:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179811 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/07/7010758.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_7010758
loop_
_publ_author_name
'Alcalde, M. I.'
'Carty, A. J.'
'Chi, Y.'
'Delgado, E.'
'Donnadieu, B.'
'Hernández, E.'
'Dallmann, K.'
'Sánchez-Nieves, J.'
_publ_section_title
;
 Syntheses of new ruthenium clusters containing sulfur, ynyl and diynyl
 ligands. Crystal structures of
 [Ru3(CO)9(µ-η2-SCCSiMe3)(µ3-η2-CCSiMe3)],
 [Ru4(CO)12(µ4-S)(µ-η2-CCSiMe3)2] and
 [Ru4(CO)9(µ-CO)2(µ4-S)(µ4-η2-C(SiMe3)C(CCSiMe3)]
;
_journal_issue                   17
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2502
_journal_paper_doi               10.1039/b103202j
_journal_year                    2001
_chemical_formula_sum            'C22 H18 O12 Ru4 S Si2'
_chemical_formula_weight         966.88
_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                99.767(12)
_cell_angle_beta                 95.019(11)
_cell_angle_gamma                97.193(11)
_cell_formula_units_Z            4
_cell_length_a                   9.8445(9)
_cell_length_b                   12.8209(12)
_cell_length_c                   27.638(3)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.0
_cell_volume                     3389.6(6)
_computing_cell_refinement       'Stoe IPDS software (Stoe, 1996)'
_computing_data_collection       'Stoe IPDS software (Stoe, 1996)'
_computing_data_reduction        'XRED (Stoe, 1.08, 1996)'
_computing_molecular_graphics    'ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1992)'
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       φ
_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  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0289
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            25238
_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         2.10
_diffrn_standards_decay_%        <0.1
_diffrn_standards_interval_time  'every frame'
_diffrn_standards_number         200
_exptl_absorpt_coefficient_mu    1.931
_exptl_absorpt_correction_T_max  0.8590
_exptl_absorpt_correction_T_min  0.5460
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            'yellow green'
_exptl_crystal_density_diffrn    1.895
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1864
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.925
_refine_diff_density_min         -0.857
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     751
_refine_ls_number_reflns         9214
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0395
_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)+(0.0803P)²+0.0000P] where P==(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0968
_refine_ls_wR_factor_ref         0.1021
_reflns_number_gt                7856
_reflns_number_total             9214
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b103202j.txt
_cod_data_source_block           (4)
_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_original_sg_symbol_H-M      'P -1 '
_cod_database_code               7010758
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
Ru1A Ru 0.37412(4) 0.87108(3) 0.424883(15) 0.02220(12) Uani 1 1 d . . .
Ru2A Ru 0.45907(5) 0.92663(3) 0.340753(15) 0.02351(12) Uani 1 1 d . . .
Ru3A Ru 0.63278(4) 0.64161(3) 0.365797(15) 0.02164(12) Uani 1 1 d . . .
Ru4A Ru 0.36886(5) 0.57669(3) 0.323813(15) 0.02236(12) Uani 1 1 d . . .
S1A S 0.46084(14) 0.75521(9) 0.36219(4) 0.0213(3) Uani 1 1 d . . .
Si1A Si 0.82766(17) 1.06491(13) 0.39459(6) 0.0329(4) Uani 1 1 d . . .
Si2A Si 0.23021(18) 0.46927(13) 0.43784(6) 0.0351(4) Uani 1 1 d . . .
O11A O 0.2699(5) 1.0759(4) 0.46934(18) 0.0514(12) Uani 1 1 d . . .
O12A O 0.4365(6) 0.7771(4) 0.51750(17) 0.0554(13) Uani 1 1 d . . .
O13A O 0.0814(5) 0.7551(4) 0.3924(2) 0.0539(13) Uani 1 1 d . . .
O21A O 0.6197(6) 0.9195(4) 0.25013(18) 0.0595(14) Uani 1 1 d . . .
O22A O 0.1799(6) 0.8408(4) 0.2845(2) 0.0621(14) Uani 1 1 d . . .
O23A O 0.4134(6) 1.1600(4) 0.3526(2) 0.0655(15) Uani 1 1 d . . .
O31A O 0.8336(5) 0.7611(4) 0.45406(18) 0.0555(13) Uani 1 1 d . . .
O32A O 0.7793(6) 0.7256(4) 0.28384(19) 0.0616(15) Uani 1 1 d . . .
O33A O 0.7510(6) 0.4330(4) 0.3475(2) 0.0605(14) Uani 1 1 d . . .
O41A O 0.4321(6) 0.6313(4) 0.22538(17) 0.0595(14) Uani 1 1 d . . .
O42A O 0.3743(6) 0.3390(3) 0.28878(18) 0.0521(12) Uani 1 1 d . . .
O43A O 0.0576(5) 0.5769(4) 0.3012(2) 0.0539(12) Uani 1 1 d . . .
C1A C 0.5585(6) 0.9534(4) 0.42023(18) 0.0252(12) Uani 1 1 d . . .
C2A C 0.6583(6) 0.9921(4) 0.4003(2) 0.0297(13) Uani 1 1 d . . .
C3A C 0.3625(6) 0.5372(4) 0.4059(2) 0.0296(13) Uani 1 1 d . . .
C4A C 0.4820(6) 0.5722(4) 0.3991(2) 0.0257(12) Uani 1 1 d . . .
C5A C 0.9100(9) 1.1159(8) 0.4589(3) 0.070(2) Uani 1 1 d . . .
H5A1 H 0.8575 1.1686 0.4755 0.106 Uiso 1 1 calc R . .
H5A2 H 1.0046 1.1495 0.4581 0.106 Uiso 1 1 calc R . .
H5A3 H 0.9112 1.0563 0.4769 0.106 Uiso 1 1 calc R . .
C6A C 0.7994(8) 1.1773(5) 0.3622(3) 0.0507(18) Uani 1 1 d . . .
H6A1 H 0.7443 1.2245 0.3812 0.076 Uiso 1 1 calc R . .
H6A2 H 0.7505 1.1489 0.3292 0.076 Uiso 1 1 calc R . .
H6A3 H 0.8885 1.2177 0.3591 0.076 Uiso 1 1 calc R . .
C7A C 0.9309(8) 0.9729(6) 0.3610(3) 0.056(2) Uani 1 1 d . . .
H7A1 H 1.0208 1.0119 0.3577 0.084 Uiso 1 1 calc R . .
H7A2 H 0.8829 0.9425 0.3281 0.084 Uiso 1 1 calc R . .
H7A3 H 0.9441 0.9151 0.3793 0.084 Uiso 1 1 calc R . .
C8A C 0.2202(15) 0.3245(7) 0.4159(6) 0.135(6) Uani 1 1 d . . .
H8A1 H 0.3086 0.3016 0.4253 0.202 Uiso 1 1 calc R . .
H8A2 H 0.1993 0.3085 0.3799 0.202 Uiso 1 1 calc R . .
H8A3 H 0.1473 0.2864 0.4310 0.202 Uiso 1 1 calc R . .
C9A C 0.0628(10) 0.5124(13) 0.4265(5) 0.134(6) Uani 1 1 d . . .
H9A1 H -0.0076 0.4657 0.4387 0.201 Uiso 1 1 calc R . .
H9A2 H 0.0401 0.5085 0.3909 0.201 Uiso 1 1 calc R . .
H9A3 H 0.0657 0.5863 0.4436 0.201 Uiso 1 1 calc R . .
C10A C 0.2915(12) 0.4988(11) 0.5048(3) 0.110(5) Uani 1 1 d . . .
H10A H 0.3833 0.4779 0.5100 0.165 Uiso 1 1 calc R . .
H10B H 0.2275 0.4586 0.5225 0.165 Uiso 1 1 calc R . .
H10C H 0.2961 0.5756 0.5173 0.165 Uiso 1 1 calc R . .
C11A C 0.3095(6) 0.9973(5) 0.4535(2) 0.0332(13) Uani 1 1 d . . .
C12A C 0.4102(7) 0.8117(4) 0.4832(2) 0.0338(14) Uani 1 1 d . . .
C13A C 0.1899(7) 0.7965(5) 0.4059(2) 0.0339(14) Uani 1 1 d . . .
C21A C 0.5641(7) 0.9242(4) 0.2845(2) 0.0359(14) Uani 1 1 d . . .
C22A C 0.2871(8) 0.8754(5) 0.3050(2) 0.0373(15) Uani 1 1 d . . .
C23A C 0.4300(7) 1.0723(5) 0.3471(2) 0.0404(15) Uani 1 1 d . . .
C31A C 0.7609(7) 0.7175(5) 0.4212(2) 0.0349(14) Uani 1 1 d . . .
C32A C 0.7279(7) 0.6960(4) 0.3151(2) 0.0345(14) Uani 1 1 d . . .
C33A C 0.7084(7) 0.5116(5) 0.3541(2) 0.0363(14) Uani 1 1 d . . .
C41A C 0.4060(7) 0.6096(4) 0.2622(2) 0.0370(15) Uani 1 1 d . . .
C42A C 0.3706(6) 0.4289(5) 0.3014(2) 0.0327(13) Uani 1 1 d . . .
C43A C 0.1717(7) 0.5766(4) 0.3116(2) 0.0340(14) Uani 1 1 d . . .
Ru1B Ru 1.23505(5) 0.86220(3) 0.824191(16) 0.02507(13) Uani 1 1 d . . .
Ru2B Ru 1.12745(5) 0.65464(3) 0.814774(16) 0.02720(13) Uani 1 1 d . . .
Ru3B Ru 0.96317(5) 0.83197(3) 0.937698(15) 0.02314(12) Uani 1 1 d . . .
Ru4B Ru 0.81434(5) 0.86651(3) 0.856324(16) 0.02535(13) Uani 1 1 d . . .
S1B S 1.03026(14) 0.80081(10) 0.85676(5) 0.0241(3) Uani 1 1 d . . .
Si1B Si 1.3546(2) 0.58780(14) 0.92546(7) 0.0410(4) Uani 1 1 d . . .
Si2B Si 0.9347(2) 1.17070(13) 0.86914(6) 0.0387(4) Uani 1 1 d . . .
O11B O 1.4688(5) 0.8363(4) 0.7616(2) 0.0595(14) Uani 1 1 d . . .
O12B O 1.0618(5) 0.9339(4) 0.74226(16) 0.0465(11) Uani 1 1 d . . .
O13B O 1.3428(6) 1.0851(4) 0.88458(19) 0.0560(13) Uani 1 1 d . . .
O21B O 0.9525(7) 0.4530(4) 0.8332(2) 0.0682(16) Uani 1 1 d . . .
O22B O 0.9577(6) 0.6714(4) 0.72098(18) 0.0545(13) Uani 1 1 d . . .
O23B O 1.3423(7) 0.5429(5) 0.7625(2) 0.0700(16) Uani 1 1 d . . .
O31B O 1.2393(6) 0.8669(4) 1.00275(19) 0.0537(12) Uani 1 1 d . . .
O32B O 0.8817(6) 0.5922(3) 0.93374(19) 0.0547(13) Uani 1 1 d . . .
O33B O 0.7682(5) 0.8861(4) 1.01433(17) 0.0490(12) Uani 1 1 d . . .
O41B O 0.6679(6) 0.6399(4) 0.82695(19) 0.0594(14) Uani 1 1 d . . .
O42B O 0.7573(5) 0.9324(4) 0.75542(18) 0.0575(14) Uani 1 1 d . . .
O43B O 0.5787(5) 0.9466(4) 0.9086(2) 0.0618(14) Uani 1 1 d . . .
C1B C 1.3003(6) 0.7613(4) 0.8665(2) 0.0299(13) Uani 1 1 d . . .
C2B C 1.2965(7) 0.6790(5) 0.8851(2) 0.0356(14) Uani 1 1 d . . .
C3B C 0.9401(6) 1.0427(4) 0.8908(2) 0.0314(13) Uani 1 1 d . . .
C4B C 0.9603(6) 0.9755(4) 0.9174(2) 0.0260(12) Uani 1 1 d . . .
C5B C 1.5215(9) 0.6557(9) 0.9601(4) 0.082(3) Uani 1 1 d . . .
H5B1 H 1.5537 0.6121 0.9834 0.123 Uiso 1 1 calc R . .
H5B2 H 1.5090 0.7258 0.9782 0.123 Uiso 1 1 calc R . .
H5B3 H 1.5898 0.6651 0.9368 0.123 Uiso 1 1 calc R . .
C6B C 1.3740(13) 0.4598(7) 0.8864(4) 0.089(3) Uani 1 1 d . . .
H6B1 H 1.3989 0.4093 0.9075 0.133 Uiso 1 1 calc R . .
H6B2 H 1.4465 0.4719 0.8650 0.133 Uiso 1 1 calc R . .
H6B3 H 1.2868 0.4302 0.8660 0.133 Uiso 1 1 calc R . .
C7B C 1.2265(9) 0.5630(6) 0.9685(3) 0.058(2) Uani 1 1 d . . .
H7B1 H 1.2523 0.5079 0.9867 0.086 Uiso 1 1 calc R . .
H7B2 H 1.1355 0.5386 0.9498 0.086 Uiso 1 1 calc R . .
H7B3 H 1.2236 0.6292 0.9918 0.086 Uiso 1 1 calc R . .
C8B C 1.0368(8) 1.1758(5) 0.8164(3) 0.0503(18) Uani 1 1 d . . .
H8B1 H 1.1336 1.1726 0.8271 0.075 Uiso 1 1 calc R . .
H8B2 H 1.0296 1.2426 0.8042 0.075 Uiso 1 1 calc R . .
H8B3 H 1.0015 1.1149 0.7899 0.075 Uiso 1 1 calc R . .
C9B C 0.7552(9) 1.1862(7) 0.8522(4) 0.070(2) Uani 1 1 d . . .
H9B1 H 0.7524 1.2521 0.8389 0.105 Uiso 1 1 calc R . .
H9B2 H 0.7056 1.1898 0.8815 0.105 Uiso 1 1 calc R . .
H9B3 H 0.7117 1.1249 0.8271 0.105 Uiso 1 1 calc R . .
C10B C 1.0122(11) 1.2775(5) 0.9216(3) 0.070(3) Uani 1 1 d . . .
H10D H 1.1037 1.2634 0.9333 0.104 Uiso 1 1 calc R . .
H10E H 0.9533 1.2790 0.9485 0.104 Uiso 1 1 calc R . .
H10F H 1.0204 1.3467 0.9108 0.104 Uiso 1 1 calc R . .
C11B C 1.3831(7) 0.8484(5) 0.7858(2) 0.0353(14) Uani 1 1 d . . .
C12B C 1.1276(6) 0.9113(4) 0.7728(2) 0.0327(14) Uani 1 1 d . . .
C13B C 1.3005(6) 1.0019(5) 0.8624(2) 0.0350(14) Uani 1 1 d . . .
C21B C 1.0193(8) 0.5277(5) 0.8284(2) 0.0441(16) Uani 1 1 d . . .
C22B C 1.0219(7) 0.6638(4) 0.7562(2) 0.0345(14) Uani 1 1 d . . .
C23B C 1.2594(8) 0.5832(5) 0.7806(2) 0.0432(16) Uani 1 1 d . . .
C31B C 1.1361(7) 0.8526(4) 0.9791(2) 0.0326(14) Uani 1 1 d . . .
C32B C 0.9162(6) 0.6813(5) 0.9366(2) 0.0338(14) Uani 1 1 d . . .
C33B C 0.8442(6) 0.8663(4) 0.9867(2) 0.0322(13) Uani 1 1 d . . .
C41B C 0.7222(7) 0.7273(5) 0.8382(2) 0.0395(15) Uani 1 1 d . . .
C42B C 0.7800(7) 0.9091(5) 0.7928(2) 0.0393(15) Uani 1 1 d . . .
C43B C 0.6626(7) 0.9152(5) 0.8870(2) 0.0393(15) Uani 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'
S S 0.1246 0.1234 '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'
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
C11A Ru1A C12A 99.3(2) . . ?
C11A Ru1A C13A 92.3(2) . . ?
C12A Ru1A C13A 96.6(3) . . ?
C11A Ru1A C1A 91.1(2) . . ?
C12A Ru1A C1A 101.9(2) . . ?
C13A Ru1A C1A 160.3(2) . . ?
C11A Ru1A S1A 155.88(17) . . ?
C12A Ru1A S1A 103.91(18) . . ?
C13A Ru1A S1A 91.31(17) . . ?
C1A Ru1A S1A 78.00(15) . . ?
C11A Ru1A Ru2A 101.01(17) . . ?
C12A Ru1A Ru2A 149.39(19) . . ?
C13A Ru1A Ru2A 105.11(18) . . ?
C1A Ru1A Ru2A 55.25(14) . . ?
S1A Ru1A Ru2A 55.10(3) . . ?
C22A Ru2A C23A 93.4(3) . . ?
C22A Ru2A C21A 96.9(3) . . ?
C23A Ru2A C21A 96.7(2) . . ?
C22A Ru2A C1A 138.6(2) . . ?
C23A Ru2A C1A 91.8(2) . . ?
C21A Ru2A C1A 123.2(2) . . ?
C22A Ru2A S1A 88.06(17) . . ?
C23A Ru2A S1A 158.12(19) . . ?
C21A Ru2A S1A 104.83(17) . . ?
C1A Ru2A S1A 73.18(13) . . ?
C22A Ru2A C2A 169.3(2) . . ?
C23A Ru2A C2A 85.9(2) . . ?
C21A Ru2A C2A 93.8(2) . . ?
C1A Ru2A C2A 30.93(19) . . ?
S1A Ru2A C2A 88.73(13) . . ?
C22A Ru2A Ru1A 92.53(18) . . ?
C23A Ru2A Ru1A 102.94(19) . . ?
C21A Ru2A Ru1A 157.66(17) . . ?
C1A Ru2A Ru1A 46.43(14) . . ?
S1A Ru2A Ru1A 55.17(3) . . ?
C2A Ru2A Ru1A 77.28(13) . . ?
C33A Ru3A C32A 91.9(2) . . ?
C33A Ru3A C31A 99.1(3) . . ?
C32A Ru3A C31A 96.7(3) . . ?
C33A Ru3A C4A 90.5(2) . . ?
C32A Ru3A C4A 160.2(3) . . ?
C31A Ru3A C4A 102.4(2) . . ?
C33A Ru3A S1A 156.5(2) . . ?
C32A Ru3A S1A 93.67(18) . . ?
C31A Ru3A S1A 102.85(17) . . ?
C4A Ru3A S1A 76.83(15) . . ?
C33A Ru3A Ru4A 101.3(2) . . ?
C32A Ru3A Ru4A 104.8(2) . . ?
C31A Ru3A Ru4A 149.66(17) . . ?
C4A Ru3A Ru4A 55.44(16) . . ?
S1A Ru3A Ru4A 55.27(3) . . ?
C41A Ru4A C42A 92.1(2) . . ?
C41A Ru4A C43A 94.5(3) . . ?
C42A Ru4A C43A 97.7(2) . . ?
C41A Ru4A C4A 139.9(2) . . ?
C42A Ru4A C4A 92.3(2) . . ?
C43A Ru4A C4A 124.2(2) . . ?
C41A Ru4A S1A 89.70(18) . . ?
C42A Ru4A S1A 156.62(19) . . ?
C43A Ru4A S1A 105.38(17) . . ?
C4A Ru4A S1A 71.76(13) . . ?
C41A Ru4A C3A 170.4(2) . . ?
C42A Ru4A C3A 87.4(2) . . ?
C43A Ru4A C3A 95.1(2) . . ?
C4A Ru4A C3A 30.6(2) . . ?
S1A Ru4A C3A 86.97(14) . . ?
C41A Ru4A Ru3A 93.9(2) . . ?
C42A Ru4A Ru3A 101.64(19) . . ?
C43A Ru4A Ru3A 158.59(17) . . ?
C4A Ru4A Ru3A 46.30(14) . . ?
S1A Ru4A Ru3A 54.98(3) . . ?
C3A Ru4A Ru3A 76.87(15) . . ?
Ru2A S1A Ru3A 133.18(6) . . ?
Ru2A S1A Ru1A 69.73(4) . . ?
Ru3A S1A Ru1A 131.74(6) . . ?
Ru2A S1A Ru4A 135.41(6) . . ?
Ru3A S1A Ru4A 69.75(4) . . ?
Ru1A S1A Ru4A 128.78(6) . . ?
C7A Si1A C2A 109.6(3) . . ?
C7A Si1A C6A 111.9(3) . . ?
C2A Si1A C6A 108.1(3) . . ?
C7A Si1A C5A 110.4(4) . . ?
C2A Si1A C5A 105.9(3) . . ?
C6A Si1A C5A 110.8(4) . . ?
C9A Si2A C8A 110.7(8) . . ?
C9A Si2A C3A 112.0(3) . . ?
C8A Si2A C3A 107.6(4) . . ?
C9A Si2A C10A 110.8(7) . . ?
C8A Si2A C10A 108.3(7) . . ?
C3A Si2A C10A 107.4(3) . . ?
C2A C1A Ru1A 158.2(5) . . ?
C2A C1A Ru2A 80.4(4) . . ?
Ru1A C1A Ru2A 78.32(19) . . ?
C1A C2A Si1A 159.4(5) . . ?
C1A C2A Ru2A 68.6(4) . . ?
Si1A C2A Ru2A 131.5(3) . . ?
C4A C3A Si2A 155.3(5) . . ?
C4A C3A Ru4A 69.2(3) . . ?
Si2A C3A Ru4A 134.3(3) . . ?
C3A C4A Ru3A 157.9(5) . . ?
C3A C4A Ru4A 80.2(4) . . ?
Ru3A C4A Ru4A 78.26(17) . . ?
O11A C11A Ru1A 177.3(5) . . ?
O12A C12A Ru1A 177.5(6) . . ?
O13A C13A Ru1A 176.1(6) . . ?
O21A C21A Ru2A 176.3(6) . . ?
O22A C22A Ru2A 176.8(5) . . ?
O23A C23A Ru2A 177.7(6) . . ?
O31A C31A Ru3A 178.6(5) . . ?
O32A C32A Ru3A 177.1(6) . . ?
O33A C33A Ru3A 178.5(6) . . ?
O41A C41A Ru4A 178.0(6) . . ?
O42A C42A Ru4A 178.1(6) . . ?
O43A C43A Ru4A 175.5(5) . . ?
C11B Ru1B C13B 98.4(3) . . ?
C11B Ru1B C12B 92.1(2) . . ?
C13B Ru1B C12B 95.7(2) . . ?
C11B Ru1B C1B 91.7(2) . . ?
C13B Ru1B C1B 104.4(2) . . ?
C12B Ru1B C1B 158.8(3) . . ?
C11B Ru1B S1B 155.28(19) . . ?
C13B Ru1B S1B 105.77(18) . . ?
C12B Ru1B S1B 90.48(17) . . ?
C1B Ru1B S1B 77.66(17) . . ?
C11B Ru1B Ru2B 100.03(18) . . ?
C13B Ru1B Ru2B 152.67(17) . . ?
C12B Ru1B Ru2B 103.56(18) . . ?
C1B Ru1B Ru2B 55.24(17) . . ?
S1B Ru1B Ru2B 55.56(3) . . ?
C22B Ru2B C23B 93.2(3) . . ?
C22B Ru2B C21B 97.2(3) . . ?
C23B Ru2B C21B 96.8(3) . . ?
C22B Ru2B C1B 135.9(2) . . ?
C23B Ru2B C1B 90.0(3) . . ?
C21B Ru2B C1B 126.0(2) . . ?
C22B Ru2B S1B 89.29(18) . . ?
C23B Ru2B S1B 157.5(2) . . ?
C21B Ru2B S1B 105.0(2) . . ?
C1B Ru2B S1B 72.99(15) . . ?
C22B Ru2B C2B 166.3(2) . . ?
C23B Ru2B C2B 84.4(3) . . ?
C21B Ru2B C2B 96.5(3) . . ?
C1B Ru2B C2B 30.9(2) . . ?
S1B Ru2B C2B 87.88(15) . . ?
C22B Ru2B Ru1B 89.79(17) . . ?
C23B Ru2B Ru1B 102.3(2) . . ?
C21B Ru2B Ru1B 159.26(19) . . ?
C1B Ru2B Ru1B 46.81(14) . . ?
S1B Ru2B Ru1B 55.38(3) . . ?
C2B Ru2B Ru1B 77.55(14) . . ?
C33B Ru3B C32B 91.7(2) . . ?
C33B Ru3B C31B 99.6(3) . . ?
C32B Ru3B C31B 97.4(2) . . ?
C33B Ru3B C4B 91.2(2) . . ?
C32B Ru3B C4B 159.1(2) . . ?
C31B Ru3B C4B 102.5(2) . . ?
C33B Ru3B S1B 156.34(18) . . ?
C32B Ru3B S1B 91.91(17) . . ?
C31B Ru3B S1B 103.06(18) . . ?
C4B Ru3B S1B 77.52(15) . . ?
C33B Ru3B Ru4B 101.00(18) . . ?
C32B Ru3B Ru4B 104.09(18) . . ?
C31B Ru3B Ru4B 149.55(16) . . ?
C4B Ru3B Ru4B 55.08(16) . . ?
S1B Ru3B Ru4B 55.49(4) . . ?
C41B Ru4B C43B 92.2(3) . . ?
C41B Ru4B C42B 97.0(3) . . ?
C43B Ru4B C42B 99.6(3) . . ?
C41B Ru4B C4B 142.2(2) . . ?
C43B Ru4B C4B 89.4(2) . . ?
C42B Ru4B C4B 120.0(2) . . ?
C41B Ru4B S1B 90.3(2) . . ?
C43B Ru4B S1B 153.42(19) . . ?
C42B Ru4B S1B 106.4(2) . . ?
C4B Ru4B S1B 72.78(14) . . ?
C41B Ru4B C3B 172.5(2) . . ?
C43B Ru4B C3B 86.3(2) . . ?
C42B Ru4B C3B 90.5(2) . . ?
C4B Ru4B C3B 30.56(19) . . ?
S1B Ru4B C3B 87.80(15) . . ?
C41B Ru4B Ru3B 95.74(19) . . ?
C43B Ru4B Ru3B 98.32(19) . . ?
C42B Ru4B Ru3B 157.58(19) . . ?
C4B Ru4B Ru3B 46.79(13) . . ?
S1B Ru4B Ru3B 55.10(3) . . ?
C3B Ru4B Ru3B 77.24(13) . . ?
Ru3B S1B Ru1B 131.70(6) . . ?
Ru3B S1B Ru4B 69.41(4) . . ?
Ru1B S1B Ru4B 130.11(5) . . ?
Ru3B S1B Ru2B 130.16(5) . . ?
Ru1B S1B Ru2B 69.05(4) . . ?
Ru4B S1B Ru2B 138.48(6) . . ?
C7B Si1B C6B 109.2(4) . . ?
C7B Si1B C2B 110.1(3) . . ?
C6B Si1B C2B 108.8(3) . . ?
C7B Si1B C5B 110.5(4) . . ?
C6B Si1B C5B 111.7(5) . . ?
C2B Si1B C5B 106.6(3) . . ?
C9B Si2B C3B 109.3(3) . . ?
C9B Si2B C8B 111.2(4) . . ?
C3B Si2B C8B 110.2(3) . . ?
C9B Si2B C10B 109.9(5) . . ?
C3B Si2B C10B 106.6(3) . . ?
C8B Si2B C10B 109.5(4) . . ?
C2B C1B Ru1B 157.5(5) . . ?
C2B C1B Ru2B 80.3(4) . . ?
Ru1B C1B Ru2B 78.0(2) . . ?
C1B C2B Si1B 157.4(6) . . ?
C1B C2B Ru2B 68.8(4) . . ?
Si1B C2B Ru2B 133.2(3) . . ?
C4B C3B Si2B 162.0(5) . . ?
C4B C3B Ru4B 67.5(3) . . ?
Si2B C3B Ru4B 129.8(3) . . ?
C3B C4B Ru3B 159.3(5) . . ?
C3B C4B Ru4B 81.9(4) . . ?
Ru3B C4B Ru4B 78.13(18) . . ?
O11B C11B Ru1B 177.0(6) . . ?
O12B C12B Ru1B 176.0(6) . . ?
O13B C13B Ru1B 178.2(6) . . ?
O21B C21B Ru2B 175.4(6) . . ?
O22B C22B Ru2B 178.7(5) . . ?
O23B C23B Ru2B 176.4(7) . . ?
O31B C31B Ru3B 178.0(5) . . ?
O32B C32B Ru3B 175.7(6) . . ?
O33B C33B Ru3B 176.8(5) . . ?
O41B C41B Ru4B 178.4(6) . . ?
O42B C42B Ru4B 178.5(6) . . ?
O43B C43B Ru4B 174.7(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
Ru1A C11A 1.888(6) . ?
Ru1A C12A 1.921(6) . ?
Ru1A C13A 1.925(7) . ?
Ru1A C1A 2.008(6) . ?
Ru1A S1A 2.3750(13) . ?
Ru1A Ru2A 2.7140(6) . ?
Ru2A C22A 1.866(8) . ?
Ru2A C23A 1.906(6) . ?
Ru2A C21A 1.939(6) . ?
Ru2A C1A 2.277(5) . ?
Ru2A S1A 2.3730(12) . ?
Ru2A C2A 2.411(6) . ?
Ru3A C33A 1.900(6) . ?
Ru3A C32A 1.930(6) . ?
Ru3A C31A 1.931(7) . ?
Ru3A C4A 2.008(5) . ?
Ru3A S1A 2.3735(13) . ?
Ru3A Ru4A 2.7190(7) . ?
Ru4A C41A 1.879(7) . ?
Ru4A C42A 1.894(6) . ?
Ru4A C43A 1.940(7) . ?
Ru4A C4A 2.287(5) . ?
Ru4A S1A 2.3818(14) . ?
Ru4A C3A 2.411(5) . ?
Si1A C7A 1.839(7) . ?
Si1A C2A 1.839(6) . ?
Si1A C6A 1.858(6) . ?
Si1A C5A 1.861(8) . ?
Si2A C9A 1.822(9) . ?
Si2A C8A 1.839(10) . ?
Si2A C3A 1.847(6) . ?
Si2A C10A 1.856(9) . ?
O11A C11A 1.156(7) . ?
O12A C12A 1.135(7) . ?
O13A C13A 1.133(8) . ?
O21A C21A 1.134(7) . ?
O22A C22A 1.151(8) . ?
O23A C23A 1.143(8) . ?
O31A C31A 1.125(8) . ?
O32A C32A 1.134(7) . ?
O33A C33A 1.131(7) . ?
O41A C41A 1.140(7) . ?
O42A C42A 1.153(7) . ?
O43A C43A 1.135(8) . ?
C1A C2A 1.257(8) . ?
C3A C4A 1.247(8) . ?
Ru1B C11B 1.885(6) . ?
Ru1B C13B 1.920(7) . ?
Ru1B C12B 1.933(6) . ?
Ru1B C1B 2.012(5) . ?
Ru1B S1B 2.3780(14) . ?
Ru1B Ru2B 2.6986(7) . ?
Ru2B C22B 1.874(6) . ?
Ru2B C23B 1.908(7) . ?
Ru2B C21B 1.941(7) . ?
Ru2B C1B 2.267(6) . ?
Ru2B S1B 2.3832(14) . ?
Ru2B C2B 2.397(6) . ?
Ru3B C33B 1.899(6) . ?
Ru3B C32B 1.923(6) . ?
Ru3B C31B 1.929(7) . ?
Ru3B C4B 2.016(5) . ?
Ru3B S1B 2.3710(13) . ?
Ru3B Ru4B 2.7064(6) . ?
Ru4B C41B 1.863(7) . ?
Ru4B C43B 1.901(7) . ?
Ru4B C42B 1.940(6) . ?
Ru4B C4B 2.268(6) . ?
Ru4B S1B 2.3822(15) . ?
Ru4B C3B 2.430(6) . ?
Si1B C7B 1.843(7) . ?
Si1B C6B 1.846(9) . ?
Si1B C2B 1.854(6) . ?
Si1B C5B 1.859(10) . ?
Si2B C9B 1.832(9) . ?
Si2B C3B 1.845(5) . ?
Si2B C8B 1.847(7) . ?
Si2B C10B 1.852(8) . ?
O11B C11B 1.131(8) . ?
O12B C12B 1.120(7) . ?
O13B C13B 1.145(8) . ?
O21B C21B 1.126(8) . ?
O22B C22B 1.139(7) . ?
O23B C23B 1.126(8) . ?
O31B C31B 1.135(8) . ?
O32B C32B 1.138(7) . ?
O33B C33B 1.135(7) . ?
O41B C41B 1.157(8) . ?
O42B C42B 1.135(7) . ?
O43B C43B 1.135(8) . ?
C1B C2B 1.247(8) . ?
C3B C4B 1.248(8) . ?
