#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:16:34 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179746 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/42/7004283.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_7004283
loop_
_publ_author_name
'Kabir, Shariff E.'
'Raha, Arun K.'
'Hassan, Mohammad R.'
'Nicholson, Brian K.'
'Rosenberg, Edward'
'Sharmin, Ayesha'
'Salassa, Luca'
_publ_section_title
;
 Ruthenium and osmium carbonyl clusters incorporating stannylene and
 stannyl ligands
;
_journal_issue                   32
_journal_name_full               'Dalton Transactions'
_journal_page_first              4212
_journal_page_last               4219
_journal_paper_doi               10.1039/b805024d
_journal_year                    2008
_chemical_formula_moiety         'C55 H42 O6 P2 Ru3 S2 Sn, C H2 Cl2'
_chemical_formula_sum            'C56 H44 Cl2 O6 P2 Ru3 S2 Sn'
_chemical_formula_weight         1431.77
_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                101.979(1)
_cell_angle_beta                 103.852(1)
_cell_angle_gamma                92.297(1)
_cell_formula_units_Z            2
_cell_length_a                   11.9706(3)
_cell_length_b                   12.1970(3)
_cell_length_c                   19.8844(5)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    89(2)
_cell_measurement_theta_max      26
_cell_measurement_theta_min      2
_cell_volume                     2745.07(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      89(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART CCD'
_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  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0274
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            26441
_diffrn_reflns_theta_full        26.31
_diffrn_reflns_theta_max         26.31
_diffrn_reflns_theta_min         1.08
_exptl_absorpt_coefficient_mu    1.540
_exptl_absorpt_correction_T_max  0.781
_exptl_absorpt_correction_T_min  0.700
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.732
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1412
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.678
_refine_diff_density_min         -1.063
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         11038
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0299
_refine_ls_R_factor_gt           0.0224
_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)+(0.0180P)²+3.8844P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0501
_refine_ls_wR_factor_ref         0.0536
_reflns_number_gt                9692
_reflns_number_total             11038
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b805024d.txt
_cod_data_source_block           akr29b
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7004283
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
Sn1 Sn 0.173989(14) 0.494549(14) 0.311863(9) 0.01462(4) Uani 1 1 d . . .
Ru1 Ru 0.371809(16) 0.585594(16) 0.305915(10) 0.01296(5) Uani 1 1 d . . .
Ru2 Ru 0.472589(16) 0.764021(16) 0.256124(10) 0.01182(5) Uani 1 1 d . . .
Ru3 Ru 0.255906(16) 0.760605(16) 0.168740(10) 0.01176(5) Uani 1 1 d . . .
P1 P 0.48756(5) 0.95875(5) 0.27323(3) 0.01217(12) Uani 1 1 d . . .
P2 P 0.23579(5) 0.95223(5) 0.19121(3) 0.01255(12) Uani 1 1 d . . .
S2 S 0.29615(5) 0.76711(5) 0.29758(3) 0.01366(12) Uani 1 1 d . . .
S1 S 0.34669(5) 0.59924(5) 0.18684(3) 0.01337(12) Uani 1 1 d . . .
O1 O 0.45684(18) 0.35361(17) 0.28592(11) 0.0310(5) Uani 1 1 d . . .
O2 O 0.43987(18) 0.62317(17) 0.46613(10) 0.0304(5) Uani 1 1 d . . .
O3 O 0.64541(17) 0.76847(17) 0.39774(10) 0.0274(4) Uani 1 1 d . . .
O4 O 0.66622(16) 0.72756(16) 0.18096(10) 0.0261(4) Uani 1 1 d . . .
O5 O 0.33065(16) 0.76567(15) 0.03400(9) 0.0210(4) Uani 1 1 d . . .
O6 O -0.00140(17) 0.68314(18) 0.10327(11) 0.0300(5) Uani 1 1 d . . .
C1 C 0.4280(2) 0.4432(2) 0.29602(14) 0.0198(5) Uani 1 1 d . . .
C2 C 0.4123(2) 0.6098(2) 0.40508(14) 0.0187(5) Uani 1 1 d . . .
C3 C 0.5781(2) 0.7597(2) 0.34450(14) 0.0179(5) Uani 1 1 d . . .
C4 C 0.5917(2) 0.7430(2) 0.20848(13) 0.0181(5) Uani 1 1 d . . .
C5 C 0.2989(2) 0.7654(2) 0.08430(13) 0.0157(5) Uani 1 1 d . . .
C6 C 0.0939(2) 0.7125(2) 0.12939(13) 0.0186(5) Uani 1 1 d . . .
C7 C 0.3488(2) 1.0219(2) 0.27121(13) 0.0145(5) Uani 1 1 d . . .
H7A H 0.3234 1.0150 0.3141 0.017 Uiso 1 1 calc R . .
H7B H 0.3602 1.1031 0.2719 0.017 Uiso 1 1 calc R . .
C11 C 0.5814(2) 1.0280(2) 0.36012(13) 0.0154(5) Uani 1 1 d . . .
C12 C 0.5383(2) 1.0609(2) 0.41999(14) 0.0225(6) Uani 1 1 d . . .
H12 H 0.4573 1.0535 0.4152 0.027 Uiso 1 1 calc R . .
C13 C 0.6135(3) 1.1045(2) 0.48681(14) 0.0269(6) Uani 1 1 d . . .
H13 H 0.5833 1.1265 0.5271 0.032 Uiso 1 1 calc R . .
C14 C 0.7320(3) 1.1158(2) 0.49460(15) 0.0268(6) Uani 1 1 d . . .
H14 H 0.7828 1.1469 0.5399 0.032 Uiso 1 1 calc R . .
C15 C 0.7759(2) 1.0813(2) 0.43581(15) 0.0275(6) Uani 1 1 d . . .
H15 H 0.8570 1.0877 0.4411 0.033 Uiso 1 1 calc R . .
C16 C 0.7014(2) 1.0375(2) 0.36917(14) 0.0227(6) Uani 1 1 d . . .
H16 H 0.7323 1.0137 0.3293 0.027 Uiso 1 1 calc R . .
C21 C 0.5458(2) 1.0238(2) 0.21170(13) 0.0139(5) Uani 1 1 d . . .
C22 C 0.5443(2) 0.9628(2) 0.14356(13) 0.0164(5) Uani 1 1 d . . .
H22 H 0.5173 0.8851 0.1295 0.020 Uiso 1 1 calc R . .
C23 C 0.5823(2) 1.0155(2) 0.09634(14) 0.0213(6) Uani 1 1 d . . .
H23 H 0.5816 0.9733 0.0503 0.026 Uiso 1 1 calc R . .
C24 C 0.6211(2) 1.1287(2) 0.11561(15) 0.0238(6) Uani 1 1 d . . .
H24 H 0.6468 1.1641 0.0830 0.029 Uiso 1 1 calc R . .
C25 C 0.6223(2) 1.1908(2) 0.18326(15) 0.0219(6) Uani 1 1 d . . .
H25 H 0.6485 1.2686 0.1965 0.026 Uiso 1 1 calc R . .
C26 C 0.5853(2) 1.1392(2) 0.23131(14) 0.0166(5) Uani 1 1 d . . .
H26 H 0.5867 1.1817 0.2774 0.020 Uiso 1 1 calc R . .
C31 C 0.2420(2) 1.0237(2) 0.11999(13) 0.0155(5) Uani 1 1 d . . .
C32 C 0.3066(2) 1.1265(2) 0.13042(14) 0.0176(5) Uani 1 1 d . . .
H32 H 0.3547 1.1605 0.1761 0.021 Uiso 1 1 calc R . .
C33 C 0.3009(2) 1.1791(2) 0.07404(15) 0.0219(6) Uani 1 1 d . . .
H33 H 0.3456 1.2487 0.0814 0.026 Uiso 1 1 calc R . .
C34 C 0.2302(2) 1.1307(2) 0.00710(14) 0.0230(6) Uani 1 1 d . . .
H34 H 0.2270 1.1668 -0.0312 0.028 Uiso 1 1 calc R . .
C35 C 0.1642(2) 1.0291(2) -0.00372(14) 0.0233(6) Uani 1 1 d . . .
H35 H 0.1152 0.9961 -0.0493 0.028 Uiso 1 1 calc R . .
C36 C 0.1704(2) 0.9760(2) 0.05238(13) 0.0185(5) Uani 1 1 d . . .
H36 H 0.1254 0.9065 0.0448 0.022 Uiso 1 1 calc R . .
C41 C 0.0978(2) 0.9939(2) 0.20850(12) 0.0145(5) Uani 1 1 d . . .
C42 C 0.0514(2) 1.0902(2) 0.19007(13) 0.0177(5) Uani 1 1 d . . .
H42 H 0.0960 1.1404 0.1738 0.021 Uiso 1 1 calc R . .
C43 C -0.0596(2) 1.1134(2) 0.19532(14) 0.0213(6) Uani 1 1 d . . .
H43 H -0.0902 1.1793 0.1831 0.026 Uiso 1 1 calc R . .
C44 C -0.1255(2) 1.0394(2) 0.21860(14) 0.0239(6) Uani 1 1 d . . .
H44 H -0.2021 1.0537 0.2209 0.029 Uiso 1 1 calc R . .
C45 C -0.0794(2) 0.9449(2) 0.23847(15) 0.0247(6) Uani 1 1 d . . .
H45 H -0.1242 0.8952 0.2549 0.030 Uiso 1 1 calc R . .
C46 C 0.0322(2) 0.9226(2) 0.23436(14) 0.0196(5) Uani 1 1 d . . .
H46 H 0.0640 0.8588 0.2492 0.024 Uiso 1 1 calc R . .
C51 C 0.1905(2) 0.3529(2) 0.36272(13) 0.0181(5) Uani 1 1 d . . .
C52 C 0.0934(2) 0.2763(2) 0.35029(14) 0.0217(6) Uani 1 1 d . . .
H52 H 0.0213 0.2897 0.3222 0.026 Uiso 1 1 calc R . .
C53 C 0.1016(3) 0.1803(2) 0.37881(15) 0.0267(6) Uani 1 1 d . . .
H53 H 0.0356 0.1280 0.3691 0.032 Uiso 1 1 calc R . .
C54 C 0.2058(3) 0.1614(2) 0.42118(15) 0.0259(6) Uani 1 1 d . . .
H54 H 0.2113 0.0962 0.4405 0.031 Uiso 1 1 calc R . .
C55 C 0.3020(3) 0.2374(2) 0.43531(14) 0.0245(6) Uani 1 1 d . . .
H55 H 0.3731 0.2251 0.4650 0.029 Uiso 1 1 calc R . .
C56 C 0.2947(2) 0.3323(2) 0.40597(14) 0.0229(6) Uani 1 1 d . . .
H56 H 0.3613 0.3836 0.4155 0.028 Uiso 1 1 calc R . .
C61 C 0.0749(2) 0.6064(2) 0.36800(13) 0.0186(5) Uani 1 1 d . . .
C62 C 0.0211(3) 0.6923(2) 0.33984(15) 0.0266(6) Uani 1 1 d . . .
H62 H 0.0278 0.7016 0.2946 0.032 Uiso 1 1 calc R . .
C63 C -0.0420(3) 0.7647(3) 0.37676(16) 0.0315(7) Uani 1 1 d . . .
H63 H -0.0781 0.8225 0.3566 0.038 Uiso 1 1 calc R . .
C64 C -0.0524(3) 0.7526(3) 0.44296(16) 0.0286(6) Uani 1 1 d . . .
H64 H -0.0958 0.8016 0.4681 0.034 Uiso 1 1 calc R . .
C65 C 0.0009(3) 0.6686(3) 0.47203(15) 0.0289(6) Uani 1 1 d . . .
H65 H -0.0053 0.6603 0.5175 0.035 Uiso 1 1 calc R . .
C66 C 0.0638(2) 0.5959(2) 0.43476(14) 0.0248(6) Uani 1 1 d . . .
H66 H 0.0997 0.5383 0.4552 0.030 Uiso 1 1 calc R . .
C71 C 0.0661(2) 0.4338(2) 0.20532(13) 0.0181(5) Uani 1 1 d . . .
C72 C 0.1133(2) 0.3790(2) 0.15116(14) 0.0213(6) Uani 1 1 d . . .
H72 H 0.1927 0.3661 0.1619 0.026 Uiso 1 1 calc R . .
C73 C 0.0459(2) 0.3426(2) 0.08138(15) 0.0270(6) Uani 1 1 d . . .
H73 H 0.0791 0.3051 0.0451 0.032 Uiso 1 1 calc R . .
C74 C -0.0701(3) 0.3618(3) 0.06546(15) 0.0320(7) Uani 1 1 d . . .
H74 H -0.1161 0.3382 0.0180 0.038 Uiso 1 1 calc R . .
C75 C -0.1190(2) 0.4150(3) 0.11835(16) 0.0318(7) Uani 1 1 d . . .
H75 H -0.1986 0.4273 0.1073 0.038 Uiso 1 1 calc R . .
C76 C -0.0511(2) 0.4507(2) 0.18805(15) 0.0250(6) Uani 1 1 d . . .
H76 H -0.0852 0.4869 0.2242 0.030 Uiso 1 1 calc R . .
C81 C 0.3856(2) 0.5061(2) 0.11578(13) 0.0151(5) Uani 1 1 d . . .
C82 C 0.3054(2) 0.4792(2) 0.04944(13) 0.0169(5) Uani 1 1 d . . .
H82 H 0.2321 0.5084 0.0433 0.020 Uiso 1 1 calc R . .
C83 C 0.3341(2) 0.4090(2) -0.00776(13) 0.0191(5) Uani 1 1 d . . .
H83 H 0.2803 0.3902 -0.0530 0.023 Uiso 1 1 calc R . .
C84 C 0.4421(2) 0.3664(2) 0.00177(14) 0.0203(5) Uani 1 1 d . . .
H84 H 0.4618 0.3189 -0.0371 0.024 Uiso 1 1 calc R . .
C85 C 0.5207(2) 0.3935(2) 0.06808(14) 0.0190(5) Uani 1 1 d . . .
H85 H 0.5939 0.3642 0.0742 0.023 Uiso 1 1 calc R . .
C86 C 0.4929(2) 0.4634(2) 0.12580(14) 0.0175(5) Uani 1 1 d . . .
H86 H 0.5465 0.4815 0.1712 0.021 Uiso 1 1 calc R . .
C9 C 0.7239(4) 0.5005(3) 0.3871(2) 0.0509(10) Uani 1 1 d . . .
H9A H 0.7886 0.5488 0.4230 0.061 Uiso 1 1 calc R . .
H9B H 0.6508 0.5275 0.3961 0.061 Uiso 1 1 calc R . .
Cl1 Cl 0.73134(8) 0.51370(9) 0.30089(5) 0.0510(2) Uani 1 1 d . . .
Cl2 Cl 0.73075(13) 0.36099(10) 0.39696(7) 0.0906(5) 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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 '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
C61 Sn1 C71 106.13(10) . . ?
C61 Sn1 C51 104.97(10) . . ?
C71 Sn1 C51 107.29(10) . . ?
C61 Sn1 Ru1 115.13(7) . . ?
C71 Sn1 Ru1 109.31(7) . . ?
C51 Sn1 Ru1 113.49(7) . . ?
C2 Ru1 C1 91.96(11) . . ?
C2 Ru1 S1 165.74(8) . . ?
C1 Ru1 S1 96.89(8) . . ?
C2 Ru1 S2 97.45(8) . . ?
C1 Ru1 S2 170.43(8) . . ?
S1 Ru1 S2 73.54(2) . . ?
C2 Ru1 Sn1 85.78(8) . . ?
C1 Ru1 Sn1 89.48(8) . . ?
S1 Ru1 Sn1 105.386(17) . . ?
S2 Ru1 Sn1 92.908(16) . . ?
C2 Ru1 Ru2 112.38(8) . . ?
C1 Ru1 Ru2 120.92(8) . . ?
S1 Ru1 Ru2 53.398(15) . . ?
S2 Ru1 Ru2 53.518(15) . . ?
Sn1 Ru1 Ru2 142.342(9) . . ?
C4 Ru2 C3 91.03(11) . . ?
C4 Ru2 P1 95.22(8) . . ?
C3 Ru2 P1 95.97(8) . . ?
C4 Ru2 S1 97.17(8) . . ?
C3 Ru2 S1 120.58(8) . . ?
P1 Ru2 S1 140.96(2) . . ?
C4 Ru2 S2 169.19(8) . . ?
C3 Ru2 S2 97.27(8) . . ?
P1 Ru2 S2 90.81(2) . . ?
S1 Ru2 S2 72.64(2) . . ?
C4 Ru2 Ru3 114.59(8) . . ?
C3 Ru2 Ru3 153.69(8) . . ?
P1 Ru2 Ru3 87.865(16) . . ?
S1 Ru2 Ru3 53.372(15) . . ?
S2 Ru2 Ru3 56.572(15) . . ?
C4 Ru2 Ru1 122.85(8) . . ?
C3 Ru2 Ru1 74.86(8) . . ?
P1 Ru2 Ru1 140.443(17) . . ?
S1 Ru2 Ru1 51.619(15) . . ?
S2 Ru2 Ru1 53.659(15) . . ?
Ru3 Ru2 Ru1 85.630(8) . . ?
C5 Ru3 C6 99.22(10) . . ?
C5 Ru3 P2 91.67(7) . . ?
C6 Ru3 P2 96.18(8) . . ?
C5 Ru3 S1 95.47(7) . . ?
C6 Ru3 S1 106.36(8) . . ?
P2 Ru3 S1 154.87(2) . . ?
C5 Ru3 S2 153.79(7) . . ?
C6 Ru3 S2 106.63(8) . . ?
P2 Ru3 S2 89.84(2) . . ?
S1 Ru3 S2 73.36(2) . . ?
C5 Ru3 Ru2 98.50(7) . . ?
C6 Ru3 Ru2 156.12(8) . . ?
P2 Ru3 Ru2 99.184(17) . . ?
S1 Ru3 Ru2 55.953(16) . . ?
S2 Ru3 Ru2 55.484(14) . . ?
C11 P1 C21 102.85(11) . . ?
C11 P1 C7 104.23(11) . . ?
C21 P1 C7 102.59(11) . . ?
C11 P1 Ru2 112.21(8) . . ?
C21 P1 Ru2 118.93(8) . . ?
C7 P1 Ru2 114.34(8) . . ?
C31 P2 C41 100.14(11) . . ?
C31 P2 C7 108.51(12) . . ?
C41 P2 C7 106.07(11) . . ?
C31 P2 Ru3 116.75(8) . . ?
C41 P2 Ru3 116.21(8) . . ?
C7 P2 Ru3 108.40(8) . . ?
Ru2 S2 Ru1 72.823(17) . . ?
Ru2 S2 Ru3 67.944(16) . . ?
Ru1 S2 Ru3 102.63(2) . . ?
C81 S1 Ru3 121.04(8) . . ?
C81 S1 Ru1 129.05(8) . . ?
Ru3 S1 Ru1 109.91(2) . . ?
C81 S1 Ru2 121.07(8) . . ?
Ru3 S1 Ru2 70.675(17) . . ?
Ru1 S1 Ru2 74.983(18) . . ?
O1 C1 Ru1 175.5(2) . . ?
O2 C2 Ru1 178.1(2) . . ?
O3 C3 Ru2 172.8(2) . . ?
O4 C4 Ru2 177.5(2) . . ?
O5 C5 Ru3 176.3(2) . . ?
O6 C6 Ru3 177.2(2) . . ?
P2 C7 P1 111.31(12) . . ?
C12 C11 C16 118.4(2) . . ?
C12 C11 P1 122.0(2) . . ?
C16 C11 P1 119.24(19) . . ?
C13 C12 C11 120.5(3) . . ?
C14 C13 C12 120.4(3) . . ?
C13 C14 C15 119.6(3) . . ?
C14 C15 C16 120.2(3) . . ?
C15 C16 C11 120.8(3) . . ?
C22 C21 C26 119.1(2) . . ?
C22 C21 P1 121.15(19) . . ?
C26 C21 P1 119.65(18) . . ?
C23 C22 C21 120.2(2) . . ?
C24 C23 C22 120.7(2) . . ?
C23 C24 C25 119.6(2) . . ?
C26 C25 C24 120.4(2) . . ?
C25 C26 C21 120.0(2) . . ?
C32 C31 C36 118.8(2) . . ?
C32 C31 P2 123.76(19) . . ?
C36 C31 P2 117.22(19) . . ?
C33 C32 C31 120.2(2) . . ?
C34 C33 C32 120.5(3) . . ?
C33 C34 C35 119.9(2) . . ?
C36 C35 C34 119.7(2) . . ?
C35 C36 C31 120.9(2) . . ?
C42 C41 C46 118.9(2) . . ?
C42 C41 P2 121.29(19) . . ?
C46 C41 P2 119.53(19) . . ?
C43 C42 C41 120.7(2) . . ?
C42 C43 C44 119.7(2) . . ?
C45 C44 C43 120.1(2) . . ?
C44 C45 C46 120.3(3) . . ?
C45 C46 C41 120.3(2) . . ?
C56 C51 C52 118.2(2) . . ?
C56 C51 Sn1 123.02(19) . . ?
C52 C51 Sn1 118.77(19) . . ?
C53 C52 C51 120.7(3) . . ?
C54 C53 C52 120.1(3) . . ?
C55 C54 C53 120.0(3) . . ?
C54 C55 C56 120.1(3) . . ?
C55 C56 C51 120.9(3) . . ?
C66 C61 C62 117.7(2) . . ?
C66 C61 Sn1 120.61(19) . . ?
C62 C61 Sn1 121.70(19) . . ?
C63 C62 C61 121.3(3) . . ?
C64 C63 C62 120.1(3) . . ?
C65 C64 C63 119.5(3) . . ?
C64 C65 C66 120.2(3) . . ?
C65 C66 C61 121.2(3) . . ?
C72 C71 C76 118.1(2) . . ?
C72 C71 Sn1 120.35(19) . . ?
C76 C71 Sn1 121.48(19) . . ?
C71 C72 C73 121.2(2) . . ?
C74 C73 C72 119.5(3) . . ?
C75 C74 C73 120.3(3) . . ?
C74 C75 C76 119.8(3) . . ?
C71 C76 C75 121.0(3) . . ?
C86 C81 C82 121.1(2) . . ?
C86 C81 S1 121.06(19) . . ?
C82 C81 S1 117.82(19) . . ?
C83 C82 C81 119.3(2) . . ?
C82 C83 C84 119.9(2) . . ?
C85 C84 C83 120.1(2) . . ?
C84 C85 C86 120.5(2) . . ?
C81 C86 C85 119.0(2) . . ?
Cl2 C9 Cl1 112.2(2) . . ?
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
Sn1 C61 2.155(3) . ?
Sn1 C71 2.160(3) . ?
Sn1 C51 2.169(3) . ?
Sn1 Ru1 2.6139(3) . ?
Ru1 C2 1.871(3) . ?
Ru1 C1 1.878(3) . ?
Ru1 S1 2.3562(6) . ?
Ru1 S2 2.4476(6) . ?
Ru1 Ru2 2.9030(3) . ?
Ru2 C4 1.890(3) . ?
Ru2 C3 1.915(3) . ?
Ru2 P1 2.3217(6) . ?
Ru2 S1 2.4130(6) . ?
Ru2 S2 2.4432(6) . ?
Ru2 Ru3 2.7481(3) . ?
Ru3 C5 1.882(3) . ?
Ru3 C6 1.925(3) . ?
Ru3 P2 2.3202(6) . ?
Ru3 S1 2.3371(6) . ?
Ru3 S2 2.4746(6) . ?
P1 C11 1.830(2) . ?
P1 C21 1.839(2) . ?
P1 C7 1.854(2) . ?
P2 C31 1.825(3) . ?
P2 C41 1.836(2) . ?
P2 C7 1.844(2) . ?
S1 C81 1.787(2) . ?
O1 C1 1.151(3) . ?
O2 C2 1.154(3) . ?
O3 C3 1.149(3) . ?
O4 C4 1.155(3) . ?
O5 C5 1.152(3) . ?
O6 C6 1.143(3) . ?
C11 C12 1.399(4) . ?
C11 C16 1.401(4) . ?
C12 C13 1.398(4) . ?
C13 C14 1.387(4) . ?
C14 C15 1.388(4) . ?
C15 C16 1.392(4) . ?
C21 C22 1.400(3) . ?
C21 C26 1.409(3) . ?
C22 C23 1.390(4) . ?
C23 C24 1.383(4) . ?
C24 C25 1.396(4) . ?
C25 C26 1.391(4) . ?
C31 C32 1.396(4) . ?
C31 C36 1.402(3) . ?
C32 C33 1.393(4) . ?
C33 C34 1.389(4) . ?
C34 C35 1.391(4) . ?
C35 C36 1.390(4) . ?
C41 C42 1.400(3) . ?
C41 C46 1.401(4) . ?
C42 C43 1.393(4) . ?
C43 C44 1.394(4) . ?
C44 C45 1.387(4) . ?
C45 C46 1.392(4) . ?
C51 C56 1.400(4) . ?
C51 C52 1.401(4) . ?
C52 C53 1.401(4) . ?
C53 C54 1.386(4) . ?
C54 C55 1.385(4) . ?
C55 C56 1.397(4) . ?
C61 C66 1.396(4) . ?
C61 C62 1.397(4) . ?
C62 C63 1.393(4) . ?
C63 C64 1.388(4) . ?
C64 C65 1.383(4) . ?
C65 C66 1.396(4) . ?
C71 C72 1.396(4) . ?
C71 C76 1.397(4) . ?
C72 C73 1.397(4) . ?
C73 C74 1.389(4) . ?
C74 C75 1.383(4) . ?
C75 C76 1.397(4) . ?
C81 C86 1.391(3) . ?
C81 C82 1.399(3) . ?
C82 C83 1.397(3) . ?
C83 C84 1.398(4) . ?
C84 C85 1.391(4) . ?
C85 C86 1.398(3) . ?
C9 Cl2 1.756(4) . ?
C9 Cl1 1.778(4) . ?
