#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:51:02 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179266 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/86/4318696.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_4318696
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            'C69 H59 O10 Ru5 Sn2'
_chemical_formula_weight         1790.89
_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                100.5060(10)
_cell_angle_beta                 95.8230(10)
_cell_angle_gamma                105.2120(10)
_cell_formula_units_Z            2
_cell_length_a                   13.8064(8)
_cell_length_b                   15.4231(9)
_cell_length_c                   16.4974(10)
_cell_measurement_reflns_used    7479
_cell_measurement_temperature    190(2)
_cell_measurement_theta_max      26.40
_cell_measurement_theta_min      2.15
_cell_volume                     3291.5(3)
_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      190(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0340
_diffrn_reflns_av_sigmaI/netI    0.0547
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            30244
_diffrn_reflns_theta_full        26.40
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         1.27
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    1.919
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.820
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.807
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1746
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.333
_refine_diff_density_min         -0.883
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     760
_refine_ls_number_reflns         13431
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0366
_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
  [0.00000+1.00000exp(0.75(sinθ/λ)²)]/
    [σ²(Fo²)+0.0000+0.0000*P+(0.0467P)²+0.0000sinθ/λ]
  where P = 0.33333Fo² + 0.66667Fc²
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0911
_reflns_number_gt                10271
_reflns_number_total             13431
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0204169_4.cif
_cod_data_source_block           bcmild2s
_cod_database_code               4318696
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 0.09993(3) -0.06978(3) 0.80079(2) 0.02371(9) Uani 1 1 d . . .
Ru2 Ru 0.30327(3) 0.01096(3) 0.77172(3) 0.02677(10) Uani 1 1 d . . .
Ru3 Ru 0.13060(3) 0.00693(3) 0.65878(2) 0.02731(10) Uani 1 1 d . . .
Ru4 Ru 0.06782(3) 0.10811(3) 0.79343(2) 0.02518(9) Uani 1 1 d . . .
Ru5 Ru 0.22735(3) 0.09809(3) 0.91224(2) 0.02486(9) Uani 1 1 d . . .
Sn1 Sn 0.06456(2) -0.25159(2) 0.75546(2) 0.02801(9) Uani 1 1 d . . .
Sn2 Sn 0.36088(3) 0.26218(2) 0.96271(2) 0.02980(9) Uani 1 1 d . . .
O11 O 0.1300(3) -0.1080(3) 0.9742(2) 0.0389(9) Uani 1 1 d . . .
O12 O -0.1289(3) -0.1071(3) 0.7915(3) 0.0437(10) Uani 1 1 d . . .
O21 O 0.4502(3) -0.0241(3) 0.9047(3) 0.0522(11) Uani 1 1 d . . .
O22 O 0.3679(3) -0.1186(3) 0.6374(3) 0.0534(11) Uani 1 1 d . . .
O23 O 0.4481(3) 0.1787(3) 0.7333(3) 0.0539(11) Uani 1 1 d . . .
O31 O -0.0846(3) -0.0304(3) 0.5680(2) 0.0481(10) Uani 1 1 d . . .
O32 O 0.1797(4) -0.1206(3) 0.5163(3) 0.0678(13) Uani 1 1 d . . .
O33 O 0.2305(4) 0.1842(3) 0.6062(3) 0.0627(13) Uani 1 1 d . . .
O51 O 0.3487(3) 0.0470(3) 1.0487(2) 0.0469(10) Uani 1 1 d . . .
O52 O 0.0968(3) 0.1416(3) 1.0394(2) 0.0537(11) Uani 1 1 d . . .
C1 C 0.1833(3) 0.0653(3) 0.7866(3) 0.0245(10) Uani 1 1 d . . .
C11 C 0.1197(3) -0.0879(3) 0.9112(3) 0.0299(11) Uani 1 1 d . . .
C12 C -0.0420(4) -0.0890(3) 0.7975(3) 0.0315(11) Uani 1 1 d . . .
C21 C 0.3956(4) -0.0072(4) 0.8575(3) 0.0342(12) Uani 1 1 d . . .
C22 C 0.3421(4) -0.0720(4) 0.6859(4) 0.0372(12) Uani 1 1 d . . .
C23 C 0.3944(4) 0.1167(4) 0.7491(3) 0.0362(12) Uani 1 1 d . . .
C31 C -0.0038(4) -0.0140(4) 0.6027(3) 0.0361(12) Uani 1 1 d . . .
C32 C 0.1642(4) -0.0733(4) 0.5703(4) 0.0420(13) Uani 1 1 d . . .
C33 C 0.1929(4) 0.1177(4) 0.6243(3) 0.0402(13) Uani 1 1 d . . .
C41 C -0.0815(4) 0.1180(4) 0.8339(4) 0.0385(13) Uani 1 1 d . . .
H41 H -0.1269 0.0775 0.8593 0.046 Uiso 1 1 calc R . .
C42 C -0.0925(4) 0.1036(4) 0.7465(4) 0.0422(14) Uani 1 1 d . . .
H42 H -0.1449 0.0532 0.7128 0.051 Uiso 1 1 calc R . .
C43 C -0.0260(5) 0.1636(4) 0.7092(4) 0.0432(14) Uani 1 1 d . . .
H43 H -0.0355 0.1556 0.6502 0.052 Uiso 1 1 calc R . .
C44 C 0.0541(5) 0.2350(4) 0.7580(4) 0.0447(15) Uani 1 1 d . . .
H44 H 0.1008 0.2739 0.7323 0.054 Uiso 1 1 calc R . .
C45 C 0.0656(4) 0.2493(4) 0.8454(4) 0.0384(13) Uani 1 1 d . . .
H45 H 0.1202 0.2978 0.8789 0.046 Uiso 1 1 calc R . .
C46 C -0.0042(4) 0.1914(4) 0.8833(4) 0.0384(13) Uani 1 1 d . . .
H46 H 0.0015 0.2025 0.9424 0.046 Uiso 1 1 calc R . .
C51 C 0.3073(4) 0.0690(3) 0.9963(3) 0.0331(12) Uani 1 1 d . . .
C52 C 0.1467(4) 0.1294(4) 0.9899(3) 0.0351(12) Uani 1 1 d . . .
C61 C 0.0060(4) -0.3238(3) 0.8478(3) 0.0307(11) Uani 1 1 d . . .
C62 C -0.0977(4) -0.3530(4) 0.8460(4) 0.0450(14) Uani 1 1 d . . .
H62 H -0.1411 -0.3416 0.8032 0.054 Uiso 1 1 calc R . .
C63 C -0.1403(5) -0.3982(4) 0.9041(5) 0.0580(18) Uani 1 1 d . . .
H63 H -0.2121 -0.4177 0.9007 0.070 Uiso 1 1 calc R . .
C64 C -0.0794(5) -0.4151(4) 0.9671(4) 0.0535(17) Uani 1 1 d . . .
H64 H -0.1082 -0.4455 1.0079 0.064 Uiso 1 1 calc R . .
C65 C 0.0245(5) -0.3872(4) 0.9696(4) 0.0453(14) Uani 1 1 d . . .
H65 H 0.0676 -0.3993 1.0122 0.054 Uiso 1 1 calc R . .
C66 C 0.0667(4) -0.3418(4) 0.9111(4) 0.0411(13) Uani 1 1 d . . .
H66 H 0.1385 -0.3226 0.9143 0.049 Uiso 1 1 calc R . .
C71 C -0.0481(4) -0.3147(3) 0.6452(3) 0.0347(12) Uani 1 1 d . . .
C72 C -0.0959(5) -0.2672(4) 0.6017(4) 0.0586(18) Uani 1 1 d . . .
H72 H -0.0793 -0.2022 0.6196 0.070 Uiso 1 1 calc R . .
C73 C -0.1690(5) -0.3117(5) 0.5312(5) 0.071(2) Uani 1 1 d . . .
H73 H -0.2010 -0.2767 0.5017 0.085 Uiso 1 1 calc R . .
C74 C -0.1943(5) -0.4033(5) 0.5048(4) 0.0616(19) Uani 1 1 d . . .
H74 H -0.2445 -0.4335 0.4571 0.074 Uiso 1 1 calc R . .
C75 C -0.1475(7) -0.4525(5) 0.5468(5) 0.093(3) Uani 1 1 d . . .
H75 H -0.1641 -0.5174 0.5284 0.111 Uiso 1 1 calc R . .
C76 C -0.0751(6) -0.4077(4) 0.6168(5) 0.074(2) Uani 1 1 d . . .
H76 H -0.0432 -0.4432 0.6460 0.089 Uiso 1 1 calc R . .
C81 C 0.2025(4) -0.2859(3) 0.7315(3) 0.0348(12) Uani 1 1 d . . .
C82 C 0.2116(4) -0.3325(4) 0.6548(4) 0.0439(14) Uani 1 1 d . . .
H82 H 0.1548 -0.3535 0.6114 0.053 Uiso 1 1 calc R . .
C83 C 0.3035(5) -0.3494(4) 0.6398(4) 0.0572(18) Uani 1 1 d . . .
H83 H 0.3087 -0.3818 0.5864 0.069 Uiso 1 1 calc R . .
C84 C 0.3861(5) -0.3193(4) 0.7020(5) 0.0562(18) Uani 1 1 d . . .
H84 H 0.4486 -0.3303 0.6914 0.067 Uiso 1 1 calc R . .
C85 C 0.3785(4) -0.2736(4) 0.7790(4) 0.0510(16) Uani 1 1 d . . .
H85 H 0.4355 -0.2537 0.8224 0.061 Uiso 1 1 calc R . .
C86 C 0.2874(4) -0.2563(4) 0.7939(4) 0.0373(12) Uani 1 1 d . . .
H86 H 0.2829 -0.2238 0.8475 0.045 Uiso 1 1 calc R . .
C91 C 0.3745(4) 0.3195(4) 1.0941(3) 0.0331(12) Uani 1 1 d . . .
C92 C 0.3262(4) 0.2714(4) 1.1489(3) 0.0360(12) Uani 1 1 d . . .
H92 H 0.2890 0.2084 1.1291 0.043 Uiso 1 1 calc R . .
C93 C 0.3305(4) 0.3124(4) 1.2316(3) 0.0423(13) Uani 1 1 d . . .
H93 H 0.2968 0.2778 1.2679 0.051 Uiso 1 1 calc R . .
C94 C 0.3841(5) 0.4043(5) 1.2614(4) 0.0532(16) Uani 1 1 d . . .
H94 H 0.3850 0.4337 1.3175 0.064 Uiso 1 1 calc R . .
C95 C 0.4358(5) 0.4523(4) 1.2096(4) 0.0536(16) Uani 1 1 d . . .
H95 H 0.4749 0.5146 1.2305 0.064 Uiso 1 1 calc R . .
C96 C 0.4320(4) 0.4112(4) 1.1269(4) 0.0449(14) Uani 1 1 d . . .
H96 H 0.4687 0.4456 1.0918 0.054 Uiso 1 1 calc R . .
C101 C 0.3179(4) 0.3458(4) 0.8110(4) 0.0422(13) Uani 1 1 d . . .
H101 H 0.3255 0.2895 0.7818 0.051 Uiso 1 1 calc R . .
C102 C 0.2966(5) 0.4083(4) 0.7659(4) 0.0519(16) Uani 1 1 d . . .
H102 H 0.2898 0.3945 0.7068 0.062 Uiso 1 1 calc R . .
C103 C 0.2856(5) 0.4897(4) 0.8074(4) 0.0526(17) Uani 1 1 d . . .
H103 H 0.2704 0.5324 0.7769 0.063 Uiso 1 1 calc R . .
C104 C 0.2967(4) 0.5094(4) 0.8925(4) 0.0502(16) Uani 1 1 d . . .
H104 H 0.2899 0.5663 0.9212 0.060 Uiso 1 1 calc R . .
C105 C 0.3176(4) 0.4471(4) 0.9376(4) 0.0383(13) Uani 1 1 d . . .
H105 H 0.3248 0.4616 0.9968 0.046 Uiso 1 1 calc R . .
C106 C 0.3282(4) 0.3636(3) 0.8971(3) 0.0318(11) Uani 1 1 d . . .
C111 C 0.5149(4) 0.2658(3) 0.9417(3) 0.0331(12) Uani 1 1 d . . .
C112 C 0.5622(4) 0.2052(4) 0.9690(4) 0.0422(13) Uani 1 1 d . . .
H112 H 0.5278 0.1618 0.9982 0.051 Uiso 1 1 calc R . .
C113 C 0.6611(5) 0.2079(5) 0.9536(4) 0.0532(16) Uani 1 1 d . . .
H113 H 0.6934 0.1662 0.9724 0.064 Uiso 1 1 calc R . .
C114 C 0.7109(5) 0.2702(5) 0.9117(4) 0.0556(17) Uani 1 1 d . . .
H114 H 0.7776 0.2715 0.9011 0.067 Uiso 1 1 calc R . .
C115 C 0.6646(5) 0.3317(4) 0.8845(4) 0.0519(16) Uani 1 1 d . . .
H115 H 0.6990 0.3750 0.8553 0.062 Uiso 1 1 calc R . .
C116 C 0.5676(4) 0.3291(4) 0.9005(4) 0.0430(14) Uani 1 1 d . . .
H116 H 0.5363 0.3719 0.8827 0.052 Uiso 1 1 calc R . .
C121 C 0.8440(7) 0.3445(6) 0.7056(6) 0.091(3) Uani 1 1 d . . .
H121 H 0.7792 0.3198 0.7200 0.109 Uiso 1 1 calc R . .
C122 C 0.8615(7) 0.3193(5) 0.6247(5) 0.081(2) Uani 1 1 d . . .
H122 H 0.8082 0.2786 0.5831 0.097 Uiso 1 1 calc R . .
C123 C 0.9546(6) 0.3527(5) 0.6053(5) 0.0656(19) Uani 1 1 d . . .
H123 H 0.9675 0.3348 0.5501 0.079 Uiso 1 1 calc R . .
C124 C 1.0298(6) 0.4120(5) 0.6643(5) 0.0641(19) Uani 1 1 d . . .
H124 H 1.0951 0.4356 0.6502 0.077 Uiso 1 1 calc R . .
C125 C 1.0124(7) 0.4382(5) 0.7444(5) 0.067(2) Uani 1 1 d . . .
H125 H 1.0656 0.4798 0.7854 0.080 Uiso 1 1 calc R . .
C126 C 0.9199(7) 0.4050(6) 0.7647(5) 0.077(2) Uani 1 1 d . . .
H126 H 0.9075 0.4235 0.8198 0.092 Uiso 1 1 calc R . .
C131 C 0.6447(8) 0.9055(7) 0.6490(8) 0.106(3) Uani 1 1 d . . .
H131 H 0.6475 0.8442 0.6313 0.127 Uiso 1 1 calc R . .
C132 C 0.6483(8) 0.9592(9) 0.5929(7) 0.108(3) Uani 1 1 d . . .
H132 H 0.6534 0.9366 0.5364 0.129 Uiso 1 1 calc R . .
C133 C 0.6445(7) 1.0488(8) 0.6204(7) 0.097(3) Uani 1 1 d . . .
H133 H 0.6463 1.0888 0.5828 0.117 Uiso 1 1 calc R . .
C134 C 0.6380(6) 1.0783(6) 0.7023(7) 0.086(3) Uani 1 1 d . . .
H134 H 0.6369 1.1398 0.7223 0.103 Uiso 1 1 calc R . .
C135 C 0.6331(5) 1.0209(7) 0.7544(6) 0.079(2) Uani 1 1 d . . .
H135 H 0.6265 1.0420 0.8108 0.094 Uiso 1 1 calc R . .
C136 C 0.6372(7) 0.9356(7) 0.7295(7) 0.092(3) Uani 1 1 d . . .
H136 H 0.6350 0.8962 0.7677 0.110 Uiso 1 1 calc R . .
C141 C 0.4508(16) 0.7214(14) 0.4279(12) 0.264(10) Uiso 1 1 d D . .
H14G H 0.4567 0.7427 0.4884 0.396 Uiso 1 1 calc R . .
H14H H 0.3798 0.6884 0.4044 0.396 Uiso 1 1 calc R . .
H14I H 0.4736 0.7745 0.4025 0.396 Uiso 1 1 calc R . .
C142 C 0.5107(19) 0.6630(17) 0.4115(13) 0.307(12) Uiso 1 1 d D . .
H14E H 0.5757 0.6954 0.3959 0.369 Uiso 1 1 calc R . .
H14F H 0.4749 0.6091 0.3659 0.369 Uiso 1 1 calc R . .
C143 C 0.5272(14) 0.6357(10) 0.4890(12) 0.236(9) Uiso 1 1 d D . .
H14A H 0.5038 0.6753 0.5323 0.283 Uiso 1 1 calc R . .
H14B H 0.6013 0.6473 0.5055 0.283 Uiso 1 1 calc R . .
C144 C 0.4750 0.5362 0.4882 0.305(12) Uiso 1 1 d D . .
H14C H 0.4378 0.5092 0.4308 0.366 Uiso 1 1 calc R . .
H14D H 0.4224 0.5379 0.5245 0.366 Uiso 1 1 calc R . .
H1 H 0.223(5) -0.093(5) 0.780(4) 0.09(2) Uiso 1 1 d . . .
H2 H 0.078(4) -0.102(4) 0.692(3) 0.054(17) 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'
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
C12 Ru1 C11 93.4(2) . . ?
C12 Ru1 C1 114.94(19) . . ?
C11 Ru1 C1 114.00(19) . . ?
C12 Ru1 Sn1 88.52(15) . . ?
C11 Ru1 Sn1 84.80(15) . . ?
C1 Ru1 Sn1 147.59(12) . . ?
C12 Ru1 Ru3 100.64(15) . . ?
C11 Ru1 Ru3 160.54(15) . . ?
C1 Ru1 Ru3 47.60(12) . . ?
Sn1 Ru1 Ru3 108.780(17) . . ?
C12 Ru1 Ru2 158.20(15) . . ?
C11 Ru1 Ru2 103.56(14) . . ?
C1 Ru1 Ru2 45.44(12) . . ?
Sn1 Ru1 Ru2 106.358(16) . . ?
Ru3 Ru1 Ru2 59.872(13) . . ?
C12 Ru1 Ru5 115.28(15) . . ?
C11 Ru1 Ru5 69.70(15) . . ?
C1 Ru1 Ru5 44.43(12) . . ?
Sn1 Ru1 Ru5 145.316(18) . . ?
Ru3 Ru1 Ru5 91.988(16) . . ?
Ru2 Ru1 Ru5 60.069(13) . . ?
C12 Ru1 Ru4 75.00(15) . . ?
C11 Ru1 Ru4 113.15(15) . . ?
C1 Ru1 Ru4 40.29(12) . . ?
Sn1 Ru1 Ru4 155.906(18) . . ?
Ru3 Ru1 Ru4 58.795(13) . . ?
Ru2 Ru1 Ru4 85.671(15) . . ?
Ru5 Ru1 Ru4 58.771(13) . . ?
C23 Ru2 C21 96.4(2) . . ?
C23 Ru2 C22 92.4(2) . . ?
C21 Ru2 C22 92.0(2) . . ?
C23 Ru2 C1 97.1(2) . . ?
C21 Ru2 C1 127.5(2) . . ?
C22 Ru2 C1 137.6(2) . . ?
C23 Ru2 Ru3 97.06(16) . . ?
C21 Ru2 Ru3 166.21(15) . . ?
C22 Ru2 Ru3 90.44(16) . . ?
C1 Ru2 Ru3 47.48(13) . . ?
C23 Ru2 Ru1 145.52(16) . . ?
C21 Ru2 Ru1 107.43(15) . . ?
C22 Ru2 Ru1 110.86(16) . . ?
C1 Ru2 Ru1 48.55(13) . . ?
Ru3 Ru2 Ru1 59.146(14) . . ?
C23 Ru2 Ru5 99.65(16) . . ?
C21 Ru2 Ru5 83.14(15) . . ?
C22 Ru2 Ru5 167.45(16) . . ?
C1 Ru2 Ru5 44.57(12) . . ?
Ru3 Ru2 Ru5 91.631(16) . . ?
Ru1 Ru2 Ru5 60.195(13) . . ?
C31 Ru3 C32 93.2(2) . . ?
C31 Ru3 C33 97.7(2) . . ?
C32 Ru3 C33 95.2(2) . . ?
C31 Ru3 C1 125.8(2) . . ?
C32 Ru3 C1 138.2(2) . . ?
C33 Ru3 C1 93.8(2) . . ?
C31 Ru3 Ru4 85.02(16) . . ?
C32 Ru3 Ru4 173.84(18) . . ?
C33 Ru3 Ru4 90.87(17) . . ?
C1 Ru3 Ru4 41.92(12) . . ?
C31 Ru3 Ru1 103.64(15) . . ?
C32 Ru3 Ru1 112.87(17) . . ?
C33 Ru3 Ru1 143.26(17) . . ?
C1 Ru3 Ru1 49.43(12) . . ?
Ru4 Ru3 Ru1 62.051(14) . . ?
C31 Ru3 Ru2 164.58(15) . . ?
C32 Ru3 Ru2 92.32(17) . . ?
C33 Ru3 Ru2 96.16(16) . . ?
C1 Ru3 Ru2 46.11(12) . . ?
Ru4 Ru3 Ru2 88.016(16) . . ?
Ru1 Ru3 Ru2 60.982(14) . . ?
C1 Ru4 C44 124.1(2) . . ?
C1 Ru4 C45 126.9(2) . . ?
C44 Ru4 C45 37.3(2) . . ?
C1 Ru4 C43 135.3(2) . . ?
C44 Ru4 C43 36.7(2) . . ?
C45 Ru4 C43 66.2(2) . . ?
C1 Ru4 C42 152.1(2) . . ?
C44 Ru4 C42 66.2(2) . . ?
C45 Ru4 C42 78.0(2) . . ?
C43 Ru4 C42 36.3(2) . . ?
C1 Ru4 C46 142.0(2) . . ?
C44 Ru4 C46 66.3(2) . . ?
C45 Ru4 C46 36.9(2) . . ?
C43 Ru4 C46 77.0(2) . . ?
C42 Ru4 C46 65.0(2) . . ?
C1 Ru4 C41 157.2(2) . . ?
C44 Ru4 C41 78.0(2) . . ?
C45 Ru4 C41 65.8(2) . . ?
C43 Ru4 C41 65.2(2) . . ?
C42 Ru4 C41 36.3(2) . . ?
C46 Ru4 C41 35.83(19) . . ?
C1 Ru4 Ru3 48.31(14) . . ?
C44 Ru4 Ru3 107.03(16) . . ?
C45 Ru4 Ru3 140.57(15) . . ?
C43 Ru4 Ru3 92.87(15) . . ?
C42 Ru4 Ru3 105.17(15) . . ?
C46 Ru4 Ru3 169.53(14) . . ?
C41 Ru4 Ru3 136.83(15) . . ?
C1 Ru4 Ru5 45.31(14) . . ?
C44 Ru4 Ru5 124.64(17) . . ?
C45 Ru4 Ru5 98.47(14) . . ?
C43 Ru4 Ru5 161.28(17) . . ?
C42 Ru4 Ru5 155.11(16) . . ?
C46 Ru4 Ru5 97.27(14) . . ?
C41 Ru4 Ru5 119.74(15) . . ?
Ru3 Ru4 Ru5 93.190(16) . . ?
C1 Ru4 Ru1 48.04(14) . . ?
C44 Ru4 Ru1 166.18(16) . . ?
C45 Ru4 Ru1 155.22(15) . . ?
C43 Ru4 Ru1 136.98(16) . . ?
C42 Ru4 Ru1 115.25(15) . . ?
C46 Ru4 Ru1 127.29(14) . . ?
C41 Ru4 Ru1 111.59(14) . . ?
Ru3 Ru4 Ru1 59.153(13) . . ?
Ru5 Ru4 Ru1 60.339(13) . . ?
C52 Ru5 C51 89.1(2) . . ?
C52 Ru5 C1 124.7(2) . . ?
C51 Ru5 C1 141.2(2) . . ?
C52 Ru5 Sn2 90.82(17) . . ?
C51 Ru5 Sn2 82.89(16) . . ?
C1 Ru5 Sn2 111.97(13) . . ?
C52 Ru5 Ru4 84.15(15) . . ?
C51 Ru5 Ru4 166.12(16) . . ?
C1 Ru5 Ru4 41.28(13) . . ?
Sn2 Ru5 Ru4 109.241(17) . . ?
C52 Ru5 Ru2 164.65(16) . . ?
C51 Ru5 Ru2 97.18(16) . . ?
C1 Ru5 Ru2 45.38(13) . . ?
Sn2 Ru5 Ru2 103.828(17) . . ?
Ru4 Ru5 Ru2 86.639(16) . . ?
C52 Ru5 Ru1 104.96(16) . . ?
C51 Ru5 Ru1 109.65(16) . . ?
C1 Ru5 Ru1 48.34(13) . . ?
Sn2 Ru5 Ru1 159.656(19) . . ?
Ru4 Ru5 Ru1 60.890(13) . . ?
Ru2 Ru5 Ru1 59.736(14) . . ?
C61 Sn1 C71 103.7(2) . . ?
C61 Sn1 C81 107.16(19) . . ?
C71 Sn1 C81 107.6(2) . . ?
C61 Sn1 Ru1 113.49(13) . . ?
C71 Sn1 Ru1 113.65(13) . . ?
C81 Sn1 Ru1 110.68(13) . . ?
C91 Sn2 C106 106.7(2) . . ?
C91 Sn2 C111 105.15(19) . . ?
C106 Sn2 C111 102.66(19) . . ?
C91 Sn2 Ru5 113.62(14) . . ?
C106 Sn2 Ru5 113.34(13) . . ?
C111 Sn2 Ru5 114.35(13) . . ?
Ru4 C1 Ru5 93.40(19) . . ?
Ru4 C1 Ru2 175.7(3) . . ?
Ru5 C1 Ru2 90.05(17) . . ?
Ru4 C1 Ru3 89.77(18) . . ?
Ru5 C1 Ru3 169.8(2) . . ?
Ru2 C1 Ru3 86.41(17) . . ?
Ru4 C1 Ru1 91.68(18) . . ?
Ru5 C1 Ru1 87.23(17) . . ?
Ru2 C1 Ru1 86.01(16) . . ?
Ru3 C1 Ru1 82.97(16) . . ?
O11 C11 Ru1 173.1(4) . . ?
O12 C12 Ru1 174.8(5) . . ?
O21 C21 Ru2 174.9(5) . . ?
O22 C22 Ru2 177.7(5) . . ?
O23 C23 Ru2 178.1(5) . . ?
O31 C31 Ru3 177.1(5) . . ?
O32 C32 Ru3 176.7(5) . . ?
O33 C33 Ru3 178.0(5) . . ?
C46 C41 C42 120.2(5) . . ?
C46 C41 Ru4 72.0(3) . . ?
C42 C41 Ru4 71.2(3) . . ?
C43 C42 C41 119.8(5) . . ?
C43 C42 Ru4 71.3(3) . . ?
C41 C42 Ru4 72.5(3) . . ?
C44 C43 C42 120.4(5) . . ?
C44 C43 Ru4 69.9(3) . . ?
C42 C43 Ru4 72.4(3) . . ?
C43 C44 C45 119.8(5) . . ?
C43 C44 Ru4 73.4(3) . . ?
C45 C44 Ru4 71.7(3) . . ?
C44 C45 C46 119.8(5) . . ?
C44 C45 Ru4 71.0(3) . . ?
C46 C45 Ru4 74.0(3) . . ?
C41 C46 C45 119.8(5) . . ?
C41 C46 Ru4 72.2(3) . . ?
C45 C46 Ru4 69.2(3) . . ?
O51 C51 Ru5 174.5(5) . . ?
O52 C52 Ru5 174.2(5) . . ?
C62 C61 C66 117.2(5) . . ?
C62 C61 Sn1 119.0(4) . . ?
C66 C61 Sn1 123.8(4) . . ?
C63 C62 C61 122.1(6) . . ?
C62 C63 C64 120.3(6) . . ?
C63 C64 C65 118.6(5) . . ?
C64 C65 C66 120.7(6) . . ?
C65 C66 C61 121.1(5) . . ?
C72 C71 C76 116.7(5) . . ?
C72 C71 Sn1 123.9(4) . . ?
C76 C71 Sn1 119.4(4) . . ?
C71 C72 C73 121.5(6) . . ?
C74 C73 C72 120.6(6) . . ?
C73 C74 C75 119.2(6) . . ?
C74 C75 C76 119.8(7) . . ?
C71 C76 C75 122.2(6) . . ?
C82 C81 C86 118.0(5) . . ?
C82 C81 Sn1 122.1(4) . . ?
C86 C81 Sn1 119.8(4) . . ?
C81 C82 C83 120.9(6) . . ?
C84 C83 C82 120.1(6) . . ?
C85 C84 C83 120.1(6) . . ?
C84 C85 C86 119.8(6) . . ?
C85 C86 C81 121.1(5) . . ?
C92 C91 C96 117.1(5) . . ?
C92 C91 Sn2 123.5(4) . . ?
C96 C91 Sn2 119.4(4) . . ?
C93 C92 C91 121.9(5) . . ?
C92 C93 C94 119.8(6) . . ?
C95 C94 C93 119.5(6) . . ?
C94 C95 C96 120.8(6) . . ?
C95 C96 C91 120.9(6) . . ?
C106 C101 C102 121.7(6) . . ?
C103 C102 C101 119.6(6) . . ?
C104 C103 C102 119.9(6) . . ?
C103 C104 C105 120.6(6) . . ?
C104 C105 C106 120.7(6) . . ?
C101 C106 C105 117.5(5) . . ?
C101 C106 Sn2 119.4(4) . . ?
C105 C106 Sn2 123.1(4) . . ?
C116 C111 C112 118.6(5) . . ?
C116 C111 Sn2 120.3(4) . . ?
C112 C111 Sn2 121.0(4) . . ?
C111 C112 C113 120.1(6) . . ?
C114 C113 C112 120.2(6) . . ?
C113 C114 C115 120.3(6) . . ?
C116 C115 C114 119.2(6) . . ?
C115 C116 C111 121.6(6) . . ?
C126 C121 C122 120.2(9) . . ?
C123 C122 C121 119.5(8) . . ?
C122 C123 C124 120.0(8) . . ?
C123 C124 C125 120.7(8) . . ?
C126 C125 C124 119.9(8) . . ?
C125 C126 C121 119.7(8) . . ?
C132 C131 C136 122.4(10) . . ?
C131 C132 C133 117.8(10) . . ?
C134 C133 C132 118.9(9) . . ?
C135 C134 C133 120.2(9) . . ?
C136 C135 C134 121.7(9) . . ?
C135 C136 C131 119.0(10) . . ?
C141 C142 C143 103.3(19) . . ?
C142 C143 C144 115.4(17) . . ?
C143 C144 C144 127.2(7) . 2_666 ?
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 C12 1.897(5) . ?
Ru1 C11 1.897(5) . ?
Ru1 C1 2.167(5) . ?
Ru1 Sn1 2.6652(5) . ?
Ru1 Ru3 2.8314(6) . ?
Ru1 Ru2 2.8842(5) . ?
Ru1 Ru5 2.8976(6) . ?
Ru1 Ru4 2.9133(5) . ?
Ru2 C23 1.903(6) . ?
Ru2 C21 1.916(5) . ?
Ru2 C22 1.945(6) . ?
Ru2 C1 2.060(4) . ?
Ru2 Ru3 2.8526(6) . ?
Ru2 Ru5 2.8939(6) . ?
Ru3 C31 1.905(6) . ?
Ru3 C32 1.913(6) . ?
Ru3 C33 1.915(6) . ?
Ru3 C1 2.107(5) . ?
Ru3 Ru4 2.8208(6) . ?
Ru4 C1 1.885(4) . ?
Ru4 C44 2.190(5) . ?
Ru4 C45 2.199(5) . ?
Ru4 C43 2.234(5) . ?
Ru4 C42 2.248(5) . ?
Ru4 C46 2.261(5) . ?
Ru4 C41 2.264(5) . ?
Ru4 Ru5 2.8513(5) . ?
Ru5 C52 1.861(6) . ?
Ru5 C51 1.876(5) . ?
Ru5 C1 2.031(4) . ?
Ru5 Sn2 2.6397(5) . ?
Sn1 C61 2.147(5) . ?
Sn1 C71 2.159(5) . ?
Sn1 C81 2.161(5) . ?
Sn2 C91 2.156(5) . ?
Sn2 C106 2.170(5) . ?
Sn2 C111 2.178(5) . ?
O11 C11 1.142(6) . ?
O12 C12 1.148(6) . ?
O21 C21 1.141(6) . ?
O22 C22 1.125(6) . ?
O23 C23 1.137(6) . ?
O31 C31 1.143(6) . ?
O32 C32 1.120(7) . ?
O33 C33 1.128(6) . ?
O51 C51 1.139(6) . ?
O52 C52 1.140(6) . ?
C41 C46 1.392(8) . ?
C41 C42 1.404(8) . ?
C42 C43 1.397(8) . ?
C43 C44 1.394(8) . ?
C44 C45 1.403(8) . ?
C45 C46 1.412(8) . ?
C61 C62 1.379(7) . ?
C61 C66 1.385(7) . ?
C62 C63 1.375(8) . ?
C63 C64 1.376(9) . ?
C64 C65 1.379(9) . ?
C65 C66 1.382(8) . ?
C71 C72 1.354(8) . ?
C71 C76 1.363(8) . ?
C72 C73 1.396(9) . ?
C73 C74 1.340(9) . ?
C74 C75 1.353(9) . ?
C75 C76 1.386(9) . ?
C81 C82 1.371(7) . ?
C81 C86 1.395(7) . ?
C82 C83 1.397(8) . ?
C83 C84 1.371(9) . ?
C84 C85 1.365(9) . ?
C85 C86 1.389(8) . ?
C91 C92 1.386(7) . ?
C91 C96 1.403(7) . ?
C92 C93 1.384(7) . ?
C93 C94 1.385(8) . ?
C94 C95 1.366(9) . ?
C95 C96 1.386(8) . ?
C101 C106 1.382(7) . ?
C101 C102 1.389(8) . ?
C102 C103 1.370(9) . ?
C103 C104 1.366(9) . ?
C104 C105 1.387(8) . ?
C105 C106 1.390(7) . ?
C111 C116 1.383(7) . ?
C111 C112 1.384(7) . ?
C112 C113 1.405(8) . ?
C113 C114 1.368(9) . ?
C114 C115 1.386(9) . ?
C115 C116 1.383(8) . ?
C121 C126 1.366(12) . ?
C121 C122 1.384(11) . ?
C122 C123 1.348(11) . ?
C123 C124 1.354(10) . ?
C124 C125 1.373(10) . ?
C125 C126 1.346(11) . ?
C131 C132 1.346(13) . ?
C131 C136 1.348(13) . ?
C132 C133 1.390(14) . ?
C133 C134 1.364(12) . ?
C134 C135 1.335(12) . ?
C135 C136 1.323(12) . ?
C141 C142 1.384(16) . ?
C142 C143 1.433(16) . ?
C143 C144 1.511(14) . ?
C144 C144 1.5455 2_666 ?
