#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:51:02 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179266 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/86/4318694.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_4318694
loop_
_publ_author_name
'Richard D. Adams'
'Burjor Captain'
'Wei Fu'
'Mark D. Smith'
_publ_section_title
;
 High Nuclearity Ruthenium-Tin Clusters from the Reactions of
 Triphenylstannane with Pentaruthenium Carbonyl Carbido Cluster Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5593
_journal_page_last               5601
_journal_paper_doi               10.1021/ic0204169
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C77 H55 O10 Ru5 Sn5'
_chemical_formula_weight         2239.01
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 99.076(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.709(2)
_cell_length_b                   22.389(2)
_cell_length_c                   19.3966(18)
_cell_measurement_reflns_used    9822
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.00
_cell_measurement_theta_min      2.34
_cell_volume                     10596.0(16)
_computing_cell_refinement       'SAINT+ NT V6.02a (Bruker, 1998)'
_computing_data_collection       'SMART NT V5.619 (Bruker, 2000)'
_computing_data_reduction        'SAINT+ NT V6.02a'
_computing_molecular_graphics    'SHELXTL V5.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0555
_diffrn_reflns_av_sigmaI/netI    0.0502
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            36038
_diffrn_reflns_theta_full        23.09
_diffrn_reflns_theta_max         23.09
_diffrn_reflns_theta_min         1.54
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    1.887
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.679
_exptl_absorpt_correction_type   SADABS
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       SqarePlate
_exptl_crystal_F_000             4268
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.271
_refine_diff_density_min         -1.565
_refine_diff_density_rms         0.201
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     447
_refine_ls_number_reflns         7682
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      0.962
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0582
_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)+(0.1242P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1549
_refine_ls_wR_factor_ref         0.1657
_reflns_number_gt                5756
_reflns_number_total             7682
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0204169_2.cif
_cod_data_source_block           r5s5sqz
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_cell_volume        10595.9(17)
_cod_database_code               4318694
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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 0.21911(3) 1.0000 0.65103(4) 0.0452(2) Uani 1 2 d S . .
Ru2 Ru 0.33236(3) 1.0000 0.72039(4) 0.0407(2) Uani 1 2 d S . .
Ru3 Ru 0.25461(2) 0.90923(3) 0.74967(3) 0.0461(2) Uani 1 1 d . . .
Ru4 Ru 0.18244(4) 1.0000 0.78621(4) 0.0495(3) Uani 1 2 d S . .
Sn1 Sn 0.41076(3) 1.0000 0.63450(4) 0.0554(2) Uani 1 2 d S . .
Sn2 Sn 0.35404(2) 0.88633(2) 0.71074(3) 0.0507(2) Uani 1 1 d . . .
Sn3 Sn 0.15832(2) 0.88406(2) 0.78000(3) 0.0585(2) Uani 1 1 d . . .
O11 O 0.2098(3) 0.8976(3) 0.5471(4) 0.096(2) Uani 1 1 d . A .
O12 O 0.0952(4) 1.0000 0.6273(5) 0.080(3) Uani 1 2 d S A .
O21 O 0.4218(4) 1.0000 0.8439(6) 0.098(3) Uani 1 2 d S A .
O31 O 0.2960(3) 0.8550(4) 0.8900(4) 0.117(3) Uani 1 1 d . A .
O32 O 0.2288(3) 0.7946(3) 0.6666(4) 0.106(2) Uani 1 1 d . A .
O41 O 0.0594(4) 1.0000 0.7882(6) 0.107(3) Uani 1 2 d S A .
O42 O 0.2090(5) 1.0000 0.9421(6) 0.116(4) Uani 1 2 d S A .
C1 C 0.2603(4) 1.0000 0.7574(4) 0.044(2) Uani 1 2 d S . .
C11 C 0.2139(4) 0.9340(4) 0.5879(4) 0.063(2) Uani 1 1 d . . .
C12 C 0.1407(5) 1.0000 0.6449(7) 0.065(3) Uani 1 2 d S . .
C21 C 0.3864(5) 1.0000 0.7964(6) 0.053(3) Uani 1 2 d S . .
C31 C 0.2819(4) 0.8750(4) 0.8368(5) 0.073(2) Uani 1 1 d . . .
C32 C 0.2390(3) 0.8367(4) 0.7001(5) 0.067(2) Uani 1 1 d . . .
C41 C 0.1050(6) 1.0000 0.7851(7) 0.074(3) Uani 1 2 d S . .
C42 C 0.1995(6) 1.0000 0.8853(8) 0.070(3) Uani 1 2 d S . .
C51 C 0.3800(5) 1.0000 0.5221(5) 0.055(3) Uani 1 2 d S . .
C52 C 0.3268(6) 1.0000 0.4944(7) 0.080(4) Uani 1 2 d S . .
H52 H 0.3006 1.0000 0.5240 0.096 Uiso 1 2 calc SR . .
C53 C 0.3099(6) 1.0000 0.4236(7) 0.094(5) Uani 1 2 d S . .
H53 H 0.2726 1.0000 0.4061 0.113 Uiso 1 2 calc SR . .
C54 C 0.3465(7) 1.0000 0.3788(8) 0.098(5) Uani 1 2 d S . .
H54 H 0.3351 1.0000 0.3307 0.118 Uiso 1 2 calc SR . .
C55 C 0.4002(7) 1.0000 0.4063(8) 0.096(5) Uani 1 2 d S . .
H55 H 0.4260 1.0000 0.3761 0.116 Uiso 1 2 calc SR . .
C56 C 0.4190(6) 1.0000 0.4788(7) 0.078(4) Uani 1 2 d S . .
H56 H 0.4562 1.0000 0.4966 0.093 Uiso 1 2 calc SR . .
C57 C 0.4702(3) 0.9268(4) 0.6514(5) 0.067(2) Uani 1 1 d . . .
C58 C 0.4778(4) 0.8909(4) 0.5953(5) 0.081(3) Uani 1 1 d . . .
H58 H 0.4552 0.8956 0.5525 0.097 Uiso 1 1 calc R . .
C59 C 0.5190(5) 0.8481(5) 0.6026(7) 0.098(3) Uani 1 1 d . . .
H59 H 0.5227 0.8219 0.5663 0.118 Uiso 1 1 calc R . .
C60 C 0.5540(5) 0.8454(5) 0.6647(8) 0.113(4) Uani 1 1 d . . .
H60 H 0.5829 0.8184 0.6696 0.136 Uiso 1 1 calc R . .
C61 C 0.5479(5) 0.8806(6) 0.7184(8) 0.119(4) Uani 1 1 d . . .
H61 H 0.5716 0.8772 0.7604 0.143 Uiso 1 1 calc R . .
C62 C 0.5054(4) 0.9225(5) 0.7111(6) 0.099(3) Uani 1 1 d . . .
H62 H 0.5016 0.9476 0.7482 0.119 Uiso 1 1 calc R . .
C63 C 0.3476(4) 0.8295(4) 0.6206(5) 0.072(2) Uani 1 1 d . . .
C64 C 0.3384(5) 0.8493(5) 0.5553(5) 0.093(3) Uani 1 1 d . . .
H64 H 0.3372 0.8902 0.5469 0.111 Uiso 1 1 calc R . .
C65 C 0.3302(6) 0.8093(7) 0.4985(6) 0.120(4) Uani 1 1 d . . .
H65 H 0.3229 0.8234 0.4529 0.145 Uiso 1 1 calc R . .
C66 C 0.3333(6) 0.7503(7) 0.5116(10) 0.139(6) Uani 1 1 d . . .
H66 H 0.3301 0.7237 0.4743 0.167 Uiso 1 1 calc R . .
C67 C 0.3406(6) 0.7293(6) 0.5757(9) 0.120(4) Uani 1 1 d . . .
H67 H 0.3398 0.6882 0.5831 0.144 Uiso 1 1 calc R . .
C68 C 0.3491(4) 0.7666(4) 0.6305(6) 0.094(3) Uani 1 1 d . . .
H68 H 0.3561 0.7511 0.6755 0.112 Uiso 1 1 calc R . .
C69 C 0.4103(3) 0.8430(4) 0.7901(4) 0.064(2) Uani 1 1 d . . .
C70 C 0.4445(5) 0.7996(5) 0.7751(6) 0.108(4) Uani 1 1 d . . .
H70 H 0.4437 0.7878 0.7290 0.129 Uiso 1 1 calc R . .
C71 C 0.4808(5) 0.7723(6) 0.8277(8) 0.132(5) Uani 1 1 d . . .
H71 H 0.5036 0.7421 0.8161 0.158 Uiso 1 1 calc R . .
C72 C 0.4837(5) 0.7879(6) 0.8921(7) 0.118(4) Uani 1 1 d . . .
H72 H 0.5084 0.7686 0.9260 0.141 Uiso 1 1 calc R . .
C73 C 0.4509(5) 0.8326(6) 0.9118(6) 0.098(3) Uani 1 1 d . . .
H73 H 0.4535 0.8442 0.9583 0.118 Uiso 1 1 calc R . .
C74 C 0.4139(4) 0.8595(4) 0.8595(5) 0.071(2) Uani 1 1 d . . .
H74 H 0.3909 0.8894 0.8715 0.086 Uiso 1 1 calc R . .
C75A C 0.1522(4) 0.8301(5) 0.8685(6) 0.124(2) Uiso 0.745(9) 1 d PD A 1
C76A C 0.1273(5) 0.7772(6) 0.8583(7) 0.124(2) Uiso 0.745(9) 1 d PD A 1
H76A H 0.1087 0.7683 0.8140 0.149 Uiso 0.745(9) 1 calc PR A 1
C77A C 0.1277(5) 0.7354(6) 0.9102(8) 0.124(2) Uiso 0.745(9) 1 d PD A 1
H77A H 0.1100 0.6989 0.9016 0.149 Uiso 0.745(9) 1 calc PR A 1
C78A C 0.1541(5) 0.7490(6) 0.9723(7) 0.124(2) Uiso 0.745(9) 1 d PD A 1
H78A H 0.1543 0.7209 1.0076 0.149 Uiso 0.745(9) 1 calc PR A 1
C79A C 0.1802(5) 0.7994(7) 0.9882(6) 0.124(2) Uiso 0.745(9) 1 d PD A 1
H79A H 0.1984 0.8064 1.0332 0.149 Uiso 0.745(9) 1 calc PR A 1
C80A C 0.1799(5) 0.8428(6) 0.9350(7) 0.124(2) Uiso 0.745(9) 1 d PD A 1
H80A H 0.1978 0.8791 0.9444 0.149 Uiso 0.745(9) 1 calc PR A 1
C75B C 0.1522(4) 0.8301(5) 0.8685(6) 0.124(2) Uiso 0.255(9) 1 d PD A 2
C76B C 0.1685(10) 0.7733(7) 0.8702(10) 0.124(2) Uiso 0.255(9) 1 d PD A 2
H76B H 0.1832 0.7585 0.8323 0.149 Uiso 0.255(9) 1 calc PR A 2
C77B C 0.1649(12) 0.7355(8) 0.9250(14) 0.124(2) Uiso 0.255(9) 1 d PD A 2
H77B H 0.1766 0.6961 0.9245 0.149 Uiso 0.255(9) 1 calc PR A 2
C78B C 0.1442(11) 0.7570(10) 0.9781(11) 0.124(2) Uiso 0.255(9) 1 d PD A 2
H78B H 0.1416 0.7316 1.0154 0.149 Uiso 0.255(9) 1 calc PR A 2
C79B C 0.1268(13) 0.8122(12) 0.9820(10) 0.124(2) Uiso 0.255(9) 1 d PD A 2
H79B H 0.1124 0.8252 1.0208 0.149 Uiso 0.255(9) 1 calc PR A 2
C80B C 0.1305(11) 0.8515(8) 0.9257(10) 0.124(2) Uiso 0.255(9) 1 d PD A 2
H80B H 0.1186 0.8909 0.9269 0.149 Uiso 0.255(9) 1 calc PR A 2
C81 C 0.0916(3) 0.8541(4) 0.7046(4) 0.068(2) Uani 1 1 d D A .
C82 C 0.0941(4) 0.8430(5) 0.6377(5) 0.090(3) Uani 1 1 d D . .
H82 H 0.1271 0.8497 0.6216 0.108 Uiso 1 1 calc R A .
C83 C 0.0504(5) 0.8222(7) 0.5914(6) 0.121(4) Uani 1 1 d D A .
H83 H 0.0537 0.8143 0.5451 0.145 Uiso 1 1 calc R . .
C84 C 0.0039(5) 0.8138(7) 0.6146(7) 0.124(5) Uani 1 1 d D . .
H84 H -0.0253 0.7979 0.5841 0.149 Uiso 1 1 calc R A .
C85 C -0.0039(4) 0.8265(6) 0.6785(7) 0.114(4) Uani 1 1 d D A .
H85 H -0.0381 0.8214 0.6918 0.137 Uiso 1 1 calc R . .
C86 C 0.0409(4) 0.8480(5) 0.7266(5) 0.090(3) Uani 1 1 d D . .
H86 H 0.0366 0.8579 0.7720 0.108 Uiso 1 1 calc R A .
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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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
C11 Ru1 C11 101.3(5) . 6_575 ?
C11 Ru1 C12 89.8(4) . . ?
C11 Ru1 C12 89.8(4) 6_575 . ?
C11 Ru1 C1 126.0(3) . . ?
C11 Ru1 C1 126.0(3) 6_575 . ?
C12 Ru1 C1 112.3(5) . . ?
C11 Ru1 Ru3 165.9(3) . 6_575 ?
C11 Ru1 Ru3 82.0(2) 6_575 6_575 ?
C12 Ru1 Ru3 104.1(3) . 6_575 ?
C1 Ru1 Ru3 45.847(19) . 6_575 ?
C11 Ru1 Ru3 82.0(2) . . ?
C11 Ru1 Ru3 165.9(3) 6_575 . ?
C12 Ru1 Ru3 104.1(3) . . ?
C1 Ru1 Ru3 45.847(19) . . ?
Ru3 Ru1 Ru3 91.64(3) 6_575 . ?
C11 Ru1 Ru4 125.4(3) . . ?
C11 Ru1 Ru4 125.4(3) 6_575 . ?
C12 Ru1 Ru4 66.5(4) . . ?
C1 Ru1 Ru4 45.8(3) . . ?
Ru3 Ru1 Ru4 59.88(2) 6_575 . ?
Ru3 Ru1 Ru4 59.88(2) . . ?
C11 Ru1 Ru2 105.0(3) . . ?
C11 Ru1 Ru2 105.0(3) 6_575 . ?
C12 Ru1 Ru2 156.3(4) . . ?
C1 Ru1 Ru2 44.0(3) . . ?
Ru3 Ru1 Ru2 60.97(2) 6_575 . ?
Ru3 Ru1 Ru2 60.97(2) . . ?
Ru4 Ru1 Ru2 89.82(3) . . ?
C21 Ru2 C1 106.6(4) . . ?
C21 Ru2 Sn2 85.75(8) . . ?
C1 Ru2 Sn2 103.14(2) . . ?
C21 Ru2 Sn2 85.75(8) . 6_575 ?
C1 Ru2 Sn2 103.14(2) . 6_575 ?
Sn2 Ru2 Sn2 153.70(4) . 6_575 ?
C21 Ru2 Sn1 89.6(4) . . ?
C1 Ru2 Sn1 163.8(3) . . ?
Sn2 Ru2 Sn1 77.55(2) . . ?
Sn2 Ru2 Sn1 77.55(2) 6_575 . ?
C21 Ru2 Ru1 154.3(4) . . ?
C1 Ru2 Ru1 47.7(3) . . ?
Sn2 Ru2 Ru1 99.21(2) . . ?
Sn2 Ru2 Ru1 99.21(2) 6_575 . ?
Sn1 Ru2 Ru1 116.02(4) . . ?
C21 Ru2 Ru3 105.3(2) . . ?
C1 Ru2 Ru3 44.45(3) . . ?
Sn2 Ru2 Ru3 58.910(18) . . ?
Sn2 Ru2 Ru3 147.36(3) 6_575 . ?
Sn1 Ru2 Ru3 131.92(2) . . ?
Ru1 Ru2 Ru3 58.26(2) . . ?
C21 Ru2 Ru3 105.3(2) . 6_575 ?
C1 Ru2 Ru3 44.45(3) . 6_575 ?
Sn2 Ru2 Ru3 147.36(3) . 6_575 ?
Sn2 Ru2 Ru3 58.910(18) 6_575 6_575 ?
Sn1 Ru2 Ru3 131.916(19) . 6_575 ?
Ru1 Ru2 Ru3 58.26(2) . 6_575 ?
Ru3 Ru2 Ru3 88.46(3) . 6_575 ?
C31 Ru3 C32 97.1(4) . . ?
C31 Ru3 C1 109.2(4) . . ?
C32 Ru3 C1 153.7(4) . . ?
C31 Ru3 Sn3 85.4(3) . . ?
C32 Ru3 Sn3 79.0(3) . . ?
C1 Ru3 Sn3 104.7(3) . . ?
C31 Ru3 Sn2 87.8(3) . . ?
C32 Ru3 Sn2 79.5(3) . . ?
C1 Ru3 Sn2 98.8(3) . . ?
Sn3 Ru3 Sn2 156.48(3) . . ?
C31 Ru3 Ru1 158.0(3) . . ?
C32 Ru3 Ru1 104.8(3) . . ?
C1 Ru3 Ru1 49.2(2) . . ?
Sn3 Ru3 Ru1 96.39(3) . . ?
Sn2 Ru3 Ru1 98.29(3) . . ?
C31 Ru3 Ru4 102.5(3) . . ?
C32 Ru3 Ru4 130.4(3) . . ?
C1 Ru3 Ru4 46.7(3) . . ?
Sn3 Ru3 Ru4 58.04(2) . . ?
Sn2 Ru3 Ru4 145.47(3) . . ?
Ru1 Ru3 Ru4 61.31(3) . . ?
C31 Ru3 Ru2 107.7(3) . . ?
C32 Ru3 Ru2 125.9(3) . . ?
C1 Ru3 Ru2 43.9(3) . . ?
Sn3 Ru3 Ru2 148.22(3) . . ?
Sn2 Ru3 Ru2 55.054(19) . . ?
Ru1 Ru3 Ru2 60.76(2) . . ?
Ru4 Ru3 Ru2 90.50(2) . . ?
C42 Ru4 C41 94.2(5) . . ?
C42 Ru4 C1 101.8(5) . . ?
C41 Ru4 C1 164.0(4) . . ?
C42 Ru4 Sn3 93.33(9) . . ?
C41 Ru4 Sn3 77.45(3) . . ?
C1 Ru4 Sn3 101.37(3) . . ?
C42 Ru4 Sn3 93.33(9) . 6_575 ?
C41 Ru4 Sn3 77.45(3) . 6_575 ?
C1 Ru4 Sn3 101.37(3) . 6_575 ?
Sn3 Ru4 Sn3 154.43(4) . 6_575 ?
C42 Ru4 Ru3 101.7(3) . 6_575 ?
C41 Ru4 Ru3 131.19(13) . 6_575 ?
C1 Ru4 Ru3 45.38(3) . 6_575 ?
Sn3 Ru4 Ru3 145.49(3) . 6_575 ?
Sn3 Ru4 Ru3 55.999(19) 6_575 6_575 ?
C42 Ru4 Ru3 101.7(3) . . ?
C41 Ru4 Ru3 131.19(13) . . ?
C1 Ru4 Ru3 45.38(3) . . ?
Sn3 Ru4 Ru3 55.999(18) . . ?
Sn3 Ru4 Ru3 145.49(3) 6_575 . ?
Ru3 Ru4 Ru3 90.34(3) 6_575 . ?
C42 Ru4 Ru1 149.4(4) . . ?
C41 Ru4 Ru1 116.4(4) . . ?
C1 Ru4 Ru1 47.7(2) . . ?
Sn3 Ru4 Ru1 93.36(2) . . ?
Sn3 Ru4 Ru1 93.36(2) 6_575 . ?
Ru3 Ru4 Ru1 58.81(2) 6_575 . ?
Ru3 Ru4 Ru1 58.81(2) . . ?
C57 Sn1 C57 96.8(5) 6_575 . ?
C57 Sn1 C51 105.5(3) 6_575 . ?
C57 Sn1 C51 105.5(3) . . ?
C57 Sn1 Ru2 115.5(2) 6_575 . ?
C57 Sn1 Ru2 115.5(2) . . ?
C51 Sn1 Ru2 115.9(3) . . ?
C69 Sn2 C63 105.9(3) . . ?
C69 Sn2 Ru2 120.5(2) . . ?
C63 Sn2 Ru2 130.2(3) . . ?
C69 Sn2 Ru3 113.4(2) . . ?
C63 Sn2 Ru3 112.5(2) . . ?
Ru2 Sn2 Ru3 66.04(2) . . ?
C75A Sn3 C81 103.3(4) . . ?
C75A Sn3 Ru3 119.3(3) . . ?
C81 Sn3 Ru3 123.3(2) . . ?
C75A Sn3 Ru4 124.2(3) . . ?
C81 Sn3 Ru4 118.7(2) . . ?
Ru3 Sn3 Ru4 65.97(3) . . ?
Ru2 C1 Ru3 91.6(3) . . ?
Ru2 C1 Ru3 91.6(3) . 6_575 ?
Ru3 C1 Ru3 169.3(5) . 6_575 ?
Ru2 C1 Ru4 174.8(5) . . ?
Ru3 C1 Ru4 87.9(3) . . ?
Ru3 C1 Ru4 87.9(3) 6_575 . ?
Ru2 C1 Ru1 88.2(3) . . ?
Ru3 C1 Ru1 85.0(2) . . ?
Ru3 C1 Ru1 85.0(2) 6_575 . ?
Ru4 C1 Ru1 86.5(4) . . ?
O11 C11 Ru1 175.5(8) . . ?
O12 C12 Ru1 166.0(11) . . ?
O21 C21 Ru2 178.4(11) . . ?
O31 C31 Ru3 176.8(9) . . ?
O32 C32 Ru3 176.1(9) . . ?
O41 C41 Ru4 176.4(12) . . ?
O42 C42 Ru4 179.7(13) . . ?
C52 C51 C56 119.5(12) . . ?
C52 C51 Sn1 124.2(9) . . ?
C56 C51 Sn1 116.2(9) . . ?
C51 C52 C53 121.7(12) . . ?
C54 C53 C52 121.1(14) . . ?
C53 C54 C55 117.5(14) . . ?
C54 C55 C56 122.8(14) . . ?
C51 C56 C55 117.3(13) . . ?
C62 C57 C58 119.1(9) . . ?
C62 C57 Sn1 120.9(7) . . ?
C58 C57 Sn1 119.0(7) . . ?
C59 C58 C57 120.5(10) . . ?
C60 C59 C58 118.0(10) . . ?
C61 C60 C59 121.9(11) . . ?
C60 C61 C62 119.6(12) . . ?
C57 C62 C61 120.8(11) . . ?
C64 C63 C68 117.2(9) . . ?
C64 C63 Sn2 124.0(7) . . ?
C68 C63 Sn2 118.6(8) . . ?
C63 C64 C65 121.1(11) . . ?
C66 C65 C64 118.7(13) . . ?
C67 C66 C65 121.7(13) . . ?
C66 C67 C68 120.4(13) . . ?
C67 C68 C63 120.8(11) . . ?
C70 C69 C74 117.2(9) . . ?
C70 C69 Sn2 122.0(7) . . ?
C74 C69 Sn2 120.8(6) . . ?
C69 C70 C71 120.8(11) . . ?
C72 C71 C70 121.6(12) . . ?
C71 C72 C73 121.3(11) . . ?
C72 C73 C74 117.4(11) . . ?
C69 C74 C73 121.7(9) . . ?
C76A C75A C80A 117.8(9) . . ?
C76A C75A Sn3 118.4(8) . . ?
C80A C75A Sn3 123.1(9) . . ?
C75A C76A C77A 123.1(10) . . ?
C78A C77A C76A 117.4(11) . . ?
C77A C78A C79A 124.7(11) . . ?
C78A C79A C80A 118.2(10) . . ?
C75A C80A C79A 118.7(10) . . ?
C78B C77B C76B 117.6(11) . . ?
C77B C78B C79B 124.1(11) . . ?
C78B C79B C80B 118.6(10) . . ?
C82 C81 C86 117.5(8) . . ?
C82 C81 Sn3 125.3(6) . . ?
C86 C81 Sn3 117.2(7) . . ?
C81 C82 C83 123.3(9) . . ?
C84 C83 C82 117.7(10) . . ?
C83 C84 C85 124.1(10) . . ?
C84 C85 C86 118.6(9) . . ?
C81 C86 C85 118.7(9) . . ?
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 C11 1.911(9) . ?
Ru1 C11 1.911(9) 6_575 ?
Ru1 C12 1.922(13) . ?
Ru1 C1 2.153(9) . ?
Ru1 Ru3 2.8338(8) 6_575 ?
Ru1 Ru3 2.8338(8) . ?
Ru1 Ru4 2.9062(12) . ?
Ru1 Ru2 2.9075(11) . ?
Ru2 C21 1.825(12) . ?
Ru2 C1 2.022(10) . ?
Ru2 Sn2 2.6134(5) . ?
Ru2 Sn2 2.6134(6) 6_575 ?
Ru2 Sn1 2.7470(11) . ?
Ru2 Ru3 2.9135(8) . ?
Ru2 Ru3 2.9135(8) 6_575 ?
Ru3 C31 1.881(10) . ?
Ru3 C32 1.895(8) . ?
Ru3 C1 2.0410(11) . ?
Ru3 Sn3 2.6011(8) . ?
Ru3 Sn2 2.7303(8) . ?
Ru3 Ru4 2.8655(8) . ?
Ru4 C42 1.901(15) . ?
Ru4 C41 1.911(15) . ?
Ru4 C1 2.087(10) . ?
Ru4 Sn3 2.6618(6) . ?
Ru4 Sn3 2.6618(6) 6_575 ?
Ru4 Ru3 2.8655(8) 6_575 ?
Sn1 C57 2.191(8) 6_575 ?
Sn1 C57 2.191(8) . ?
Sn1 C51 2.192(10) . ?
Sn2 C69 2.138(8) . ?
Sn2 C63 2.148(9) . ?
Sn3 C75A 2.124(10) . ?
Sn3 C81 2.131(8) . ?
O11 C11 1.129(9) . ?
O12 C12 1.123(13) . ?
O21 C21 1.167(13) . ?
O31 C31 1.130(10) . ?
O32 C32 1.149(10) . ?
O41 C41 1.137(15) . ?
O42 C42 1.089(14) . ?
C1 Ru3 2.0410(11) 6_575 ?
C51 C52 1.341(17) . ?
C51 C56 1.373(17) . ?
C52 C53 1.371(17) . ?
C53 C54 1.35(2) . ?
C54 C55 1.35(2) . ?
C55 C56 1.410(19) . ?
C57 C62 1.337(13) . ?
C57 C58 1.390(12) . ?
C58 C59 1.389(13) . ?
C59 C60 1.370(16) . ?
C60 C61 1.332(16) . ?
C61 C62 1.397(15) . ?
C63 C64 1.326(13) . ?
C63 C68 1.422(13) . ?
C64 C65 1.409(14) . ?
C65 C66 1.345(19) . ?
C66 C67 1.316(18) . ?
C67 C68 1.343(15) . ?
C69 C70 1.348(13) . ?
C69 C74 1.386(11) . ?
C70 C71 1.390(14) . ?
C71 C72 1.289(16) . ?
C72 C73 1.379(16) . ?
C73 C74 1.393(13) . ?
C75A C76A 1.334(11) . ?
C75A C80A 1.390(11) . ?
C76A C77A 1.373(12) . ?
C77A C78A 1.311(13) . ?
C78A C79A 1.312(13) . ?
C79A C80A 1.416(12) . ?
C76B C77B 1.372(12) . ?
C77B C78B 1.312(13) . ?
C78B C79B 1.314(13) . ?
C79B C80B 1.416(12) . ?
C81 C82 1.333(10) . ?
C81 C86 1.392(10) . ?
C82 C83 1.372(11) . ?
C83 C84 1.313(13) . ?
C84 C85 1.314(13) . ?
C85 C86 1.415(12) . ?
