#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:56:37 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178541 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/47/4064739.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_4064739
loop_
_publ_author_name
'Fleischhauer, Sebastian'
'Eichele, Klaus'
'Schellenberg, Inga'
'Pöttgen, Rainer'
'Wesemann, Lars'
_publ_section_title
;
 Cobalt, Rhodium, Iridium, and Ruthenium Carbonyl Complexes with
 Stanna-closo-dodecaborate:103Rh NMR,119Sn Mössbauer Spectroscopy, and
 Solid-State119Sn NMR
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              3200
_journal_paper_doi               10.1021/om200301v
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C32 H97 B22 Cl2 N5 O2 Ru Sn2'
_chemical_formula_weight         1231.32
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 120.897(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.758(2)
_cell_length_b                   17.9420(8)
_cell_length_c                   14.4783(11)
_cell_measurement_reflns_used    19749
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      58.3
_cell_measurement_theta_min      8.0
_cell_volume                     5964.5(8)
_computing_cell_refinement       'Stoe X-Area'
_computing_data_collection       'Stoe WinXpose'
_computing_data_reduction        'Stoe X-Area'
_computing_molecular_graphics    ORTEP3
_computing_publication_material  SHELX97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Stoe IPDS 2T'
_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  0.0950
_diffrn_reflns_av_sigmaI/netI    0.0449
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            36831
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         6.08
_exptl_absorpt_coefficient_mu    1.204
_exptl_absorpt_correction_T_max  0.8891
_exptl_absorpt_correction_T_min  0.5701
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Stoe XRED, XSHAPE'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2512
_exptl_crystal_size_max          0.133
_exptl_crystal_size_mid          0.087
_exptl_crystal_size_min          0.076
_refine_diff_density_max         2.731
_refine_diff_density_min         -0.903
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         5197
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0708
_refine_ls_R_factor_gt           0.0596
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0675P)²+51.1837P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1530
_refine_ls_wR_factor_ref         0.1614
_reflns_number_gt                4322
_reflns_number_total             5197
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200301v_si_002.cif
_cod_data_source_block           sf92
_cod_original_cell_volume        5964.5(7)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4064739
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
B100 B 0.0951(3) 0.3025(3) 0.0492(5) 0.0367(14) Uani 1 1 d . . .
H100 H 0.0783 0.3424 -0.0179 0.044 Uiso 1 1 calc R . .
B101 B 0.0884(3) 0.1989(4) 0.0282(6) 0.0483(17) Uani 1 1 d . . .
H101 H 0.0673 0.1727 -0.0519 0.058 Uiso 1 1 calc R . .
N1 N 0.1193(2) -0.4542(3) -0.0086(5) 0.0479(13) Uani 1 1 d . . .
B102 B 0.0476(3) 0.2488(4) 0.0727(7) 0.0496(18) Uani 1 1 d . . .
H102 H 0.0003 0.2545 0.0181 0.060 Uiso 1 1 calc R . .
B103 B 0.0793(4) 0.2363(5) 0.2148(8) 0.057(2) Uani 1 1 d . . .
H103 H 0.0527 0.2344 0.2528 0.068 Uiso 1 1 calc R . .
B104 B 0.0794(4) 0.1622(4) 0.1328(8) 0.059(2) Uani 1 1 d . . .
H104 H 0.0527 0.1120 0.1178 0.070 Uiso 1 1 calc R . .
B105 B 0.1611(3) 0.3207(4) 0.1855(5) 0.0374(14) Uani 1 1 d . . .
H105 H 0.1864 0.3727 0.2057 0.045 Uiso 1 1 calc R . .
B106 B 0.0899(3) 0.3209(4) 0.1640(6) 0.0440(16) Uani 1 1 d . . .
H106 H 0.0701 0.3735 0.1683 0.053 Uiso 1 1 calc R . .
B107 B 0.1499(3) 0.1546(4) 0.1501(6) 0.0435(16) Uani 1 1 d . . .
H107 H 0.1678 0.1001 0.1472 0.052 Uiso 1 1 calc R . .
N2 N 0.0000 0.4261(6) 0.7500 0.060(2) Uani 1 2 d S . .
B108 B 0.1951(3) 0.2295(4) 0.2466(6) 0.0420(15) Uani 1 1 d . . .
H108 H 0.2419 0.2230 0.3052 0.050 Uiso 1 1 calc R . .
B109 B 0.1422(4) 0.1796(5) 0.2600(7) 0.058(2) Uani 1 1 d . . .
H109 H 0.1563 0.1401 0.3271 0.070 Uiso 1 1 calc R . .
B110 B 0.1486(4) 0.2774(5) 0.2812(6) 0.0514(19) Uani 1 1 d . . .
H110 H 0.1669 0.3016 0.3620 0.062 Uiso 1 1 calc R . .
N3 N 0.1229(3) -0.0820(5) 0.0436(6) 0.079(2) Uani 1 1 d . . .
C305 C 0.1298(5) -0.0815(6) 0.1507(8) 0.092(3) Uani 1 1 d . . .
H30A H 0.1417 -0.0320 0.1813 0.110 Uiso 1 1 calc R . .
H30B H 0.1607 -0.1158 0.1968 0.110 Uiso 1 1 calc R . .
C304 C 0.0753(6) 0.0018(9) -0.1210(9) 0.127(5) Uani 1 1 d D . .
H30C H 0.0484 0.0422 -0.1547 0.191 Uiso 1 1 calc R . .
H30D H 0.0617 -0.0411 -0.1672 0.191 Uiso 1 1 calc R . .
H30E H 0.1129 0.0162 -0.1082 0.191 Uiso 1 1 calc R . .
C300 C 0.1359(6) -0.2148(6) 0.0286(10) 0.113(4) Uani 1 1 d . . .
H30F H 0.1198 -0.2574 -0.0177 0.169 Uiso 1 1 calc R . .
H30G H 0.1369 -0.2240 0.0949 0.169 Uiso 1 1 calc R . .
H30H H 0.1747 -0.2060 0.0434 0.169 Uiso 1 1 calc R . .
C307 C 0.0797(4) -0.0159(5) -0.0214(8) 0.082(3) Uani 1 1 d D . .
H33A H 0.0412 -0.0288 -0.0353 0.099 Uiso 1 1 calc R . .
H33B H 0.0923 0.0283 0.0235 0.099 Uiso 1 1 calc R . .
C302 C 0.0980(4) -0.1461(5) -0.0270(7) 0.078(2) Uani 1 1 d . . .
H30I H 0.0963 -0.1369 -0.0945 0.094 Uiso 1 1 calc R . .
H30J H 0.0586 -0.1546 -0.0423 0.094 Uiso 1 1 calc R . .
C306 C 0.0738(5) -0.1035(7) 0.1507(10) 0.104(3) Uani 1 1 d . . .
H30K H 0.0812 -0.1020 0.2230 0.156 Uiso 1 1 calc R . .
H30L H 0.0623 -0.1530 0.1223 0.156 Uiso 1 1 calc R . .
H30M H 0.0431 -0.0691 0.1068 0.156 Uiso 1 1 calc R . .
C301 C 0.1821(4) -0.0593(7) 0.0584(9) 0.096(3) Uani 1 1 d . . .
H30N H 0.1794 -0.0590 -0.0103 0.144 Uiso 1 1 calc R . .
H30O H 0.2113 -0.0943 0.1052 0.144 Uiso 1 1 calc R . .
H30P H 0.1923 -0.0104 0.0896 0.144 Uiso 1 1 calc R . .
C200 C 0.0000 0.3661(7) 0.7500 0.055(2) Uani 1 2 d S . .
C201 C 0.0000 0.2800(6) 0.7500 0.063(3) Uani 1 2 d S . .
H20A H 0.0318 0.2622 0.8171 0.095 Uiso 0.50 1 calc PR . .
H20B H 0.0042 0.2622 0.6918 0.095 Uiso 0.50 1 calc PR . .
H20C H -0.0361 0.2622 0.7411 0.095 Uiso 0.50 1 calc PR . .
Cl1 Cl 0.2189(2) 0.1213(2) -0.0677(4) 0.0534(18) Uani 0.508(12) 1 d P A 2
C1 C 0.1926(8) 0.2853(10) -0.1255(16) 0.063(3) Uani 0.508(12) 1 d PD A 2
O1 O 0.1556(8) 0.3089(12) -0.1994(15) 0.063(3) Uani 0.508(12) 1 d PD A 2
Cl2 Cl 0.1700(2) 0.2944(3) -0.1793(5) 0.060(2) Uani 0.492(12) 1 d P A 1
C2 C 0.2298(10) 0.1552(10) -0.0448(19) 0.063(3) Uani 0.492(12) 1 d PD A 1
O2 O 0.2210(9) 0.0956(8) -0.0681(17) 0.063(3) Uani 0.492(12) 1 d PD A 1
C102 C 0.0894(3) -0.4921(4) 0.0427(6) 0.0477(15) Uani 1 1 d . . .
H10A H 0.0565 -0.5199 -0.0125 0.057 Uiso 1 1 calc R . .
H10B H 0.1163 -0.5278 0.0949 0.057 Uiso 1 1 calc R . .
C103 C 0.1382(3) -0.5140(4) -0.0569(6) 0.0539(16) Uani 1 1 d . . .
H10C H 0.1038 -0.5404 -0.1106 0.065 Uiso 1 1 calc R . .
H10D H 0.1622 -0.5495 -0.0008 0.065 Uiso 1 1 calc R . .
C106 C 0.1687(3) -0.4085(4) 0.0678(6) 0.0551(17) Uani 1 1 d . . .
H10E H 0.1855 -0.3846 0.0298 0.066 Uiso 1 1 calc R . .
H10F H 0.1545 -0.3696 0.0950 0.066 Uiso 1 1 calc R . .
C101 C 0.0679(3) -0.4421(4) 0.0980(6) 0.0593(18) Uani 1 1 d . . .
H10G H 0.0494 -0.4716 0.1275 0.089 Uiso 1 1 calc R . .
H10H H 0.0403 -0.4072 0.0470 0.089 Uiso 1 1 calc R . .
H10I H 0.1001 -0.4155 0.1549 0.089 Uiso 1 1 calc R . .
C100 C 0.0738(3) -0.4027(4) -0.1013(6) 0.0629(19) Uani 1 1 d . . .
H10J H 0.0409 -0.4319 -0.1514 0.094 Uiso 1 1 calc R . .
H10K H 0.0915 -0.3804 -0.1379 0.094 Uiso 1 1 calc R . .
H10L H 0.0613 -0.3644 -0.0715 0.094 Uiso 1 1 calc R . .
C105 C 0.2145(3) -0.4499(4) 0.1591(6) 0.065(2) Uani 1 1 d . . .
H10M H 0.2456 -0.4166 0.2047 0.098 Uiso 1 1 calc R . .
H10N H 0.2291 -0.4884 0.1333 0.098 Uiso 1 1 calc R . .
H10O H 0.1988 -0.4720 0.1994 0.098 Uiso 1 1 calc R . .
C104 C 0.1718(4) -0.4877(5) -0.1090(8) 0.078(3) Uani 1 1 d . . .
H10P H 0.1817 -0.5298 -0.1373 0.117 Uiso 1 1 calc R . .
H10Q H 0.2067 -0.4629 -0.0563 0.117 Uiso 1 1 calc R . .
H10R H 0.1481 -0.4538 -0.1664 0.117 Uiso 1 1 calc R . .
Ru1 Ru 0.2500 0.2500 0.0000 0.0344(2) Uani 1 2 d S . .
Sn1 Sn 0.179795(19) 0.24600(2) 0.07569(3) 0.04039(18) Uani 1 1 d . 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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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
B102 B100 B106 60.5(4) . .
B102 B100 B101 58.1(4) . .
B106 B100 B101 106.8(5) . .
B102 B100 B105 105.9(5) . .
B106 B100 B105 57.8(4) . .
B101 B100 B105 107.6(4) . .
B102 B100 Sn1 117.9(4) . .
B106 B100 Sn1 117.8(4) . .
B101 B100 Sn1 66.4(3) . .
B105 B100 Sn1 66.0(3) . .
B102 B101 B104 59.9(4) . .
B102 B101 B107 106.3(5) . .
B104 B101 B107 58.3(4) . .
B102 B101 B100 57.7(4) . .
B104 B101 B100 105.8(5) . .
B107 B101 B100 107.7(5) . .
B102 B101 Sn1 117.3(4) . .
B104 B101 Sn1 117.6(5) . .
B107 B101 Sn1 66.0(3) . .
B100 B101 Sn1 66.1(3) . .
C106 N1 C103 111.3(5) . .
C106 N1 C102 112.5(5) . .
C103 N1 C102 107.3(5) . .
C106 N1 C100 108.7(5) . .
C103 N1 C100 108.7(5) . .
C102 N1 C100 108.3(5) . .
B100 B102 B101 64.2(4) . .
B100 B102 B104 111.2(5) . .
B101 B102 B104 60.2(5) . .
B100 B102 B106 60.0(4) . .
B101 B102 B106 111.3(5) . .
B104 B102 B106 108.1(6) . .
B100 B102 B103 109.1(6) . .
B101 B102 B103 109.8(5) . .
B104 B102 B103 60.1(5) . .
B106 B102 B103 59.5(4) . .
B110 B103 B106 61.2(4) . .
B110 B103 B109 60.3(5) . .
B106 B103 B109 108.6(5) . .
B110 B103 B104 108.3(5) . .
B106 B103 B104 107.8(5) . .
B109 B103 B104 59.5(5) . .
B110 B103 B102 108.6(5) . .
B106 B103 B102 59.9(4) . .
B109 B103 B102 107.1(6) . .
B104 B103 B102 59.4(5) . .
B109 B104 B102 108.5(6) . .
B109 B104 B107 59.7(4) . .
B102 B104 B107 110.2(5) . .
B109 B104 B101 110.6(5) . .
B102 B104 B101 59.8(4) . .
B107 B104 B101 63.3(4) . .
B109 B104 B103 60.1(5) . .
B102 B104 B103 60.5(5) . .
B107 B104 B103 109.2(6) . .
B101 B104 B103 109.8(5) . .
B110 B105 B106 61.1(4) . .
B110 B105 B108 58.8(4) . .
B106 B105 B108 107.7(5) . .
B110 B105 B100 107.0(5) . .
B106 B105 B100 57.9(4) . .
B108 B105 B100 108.2(4) . .
B110 B105 Sn1 118.5(4) . .
B106 B105 Sn1 118.2(4) . .
B108 B105 Sn1 66.0(3) . .
B100 B105 Sn1 66.2(3) . .
B105 B106 B100 64.3(4) . .
B105 B106 B103 108.3(5) . .
B100 B106 B103 109.7(5) . .
B105 B106 B102 110.3(5) . .
B100 B106 B102 59.5(4) . .
B103 B106 B102 60.6(5) . .
B105 B106 B110 59.4(4) . .
B100 B106 B110 110.7(5) . .
B103 B106 B110 58.9(5) . .
B102 B106 B110 107.5(5) . .
B109 B107 B104 60.0(5) . .
B109 B107 B101 106.9(5) . .
B104 B107 B101 58.4(4) . .
B109 B107 B108 58.2(4) . .
B104 B107 B108 106.4(5) . .
B101 B107 B108 108.6(4) . .
B109 B107 Sn1 117.9(4) . .
B104 B107 Sn1 118.3(4) . .
B101 B107 Sn1 66.8(3) . .
B108 B107 Sn1 66.0(3) . .
B109 B108 B110 60.0(5) . .
B109 B108 B105 106.0(5) . .
B110 B108 B105 57.9(4) . .
B109 B108 B107 58.0(5) . .
B110 B108 B107 106.3(5) . .
B105 B108 B107 107.9(5) . .
B109 B108 Sn1 118.1(5) . .
B110 B108 Sn1 118.3(4) . .
B105 B108 Sn1 66.6(3) . .
B107 B108 Sn1 66.4(3) . .
B107 B109 B108 63.8(4) . .
B107 B109 B104 60.3(5) . .
B108 B109 B104 111.1(5) . .
B107 B109 B110 111.2(5) . .
B108 B109 B110 60.3(4) . .
B104 B109 B110 108.1(5) . .
B107 B109 B103 109.9(6) . .
B108 B109 B103 109.2(5) . .
B104 B109 B103 60.4(5) . .
B110 B109 B103 59.2(5) . .
B103 B110 B105 109.2(5) . .
B103 B110 B109 60.5(5) . .
B105 B110 B109 110.0(5) . .
B103 B110 B108 109.8(6) . .
B105 B110 B108 63.3(4) . .
B109 B110 B108 59.7(4) . .
B103 B110 B106 59.9(4) . .
B105 B110 B106 59.5(4) . .
B109 B110 B106 107.8(6) . .
B108 B110 B106 110.0(5) . .
C302 N3 C305 120.7(8) . .
C302 N3 C301 112.2(7) . .
C305 N3 C301 106.8(7) . .
C302 N3 C307 104.0(7) . .
C305 N3 C307 106.3(7) . .
C301 N3 C307 105.6(8) . .
N3 C305 C306 113.7(8) . .
C304 C307 N3 115.0(9) . .
N3 C302 C300 109.0(8) . .
N2 C200 C201 180.000(4) . .
O1 C1 Ru1 175(2) . .
O2 C2 Ru1 176(2) . .
C101 C102 N1 116.1(5) . .
N1 C103 C104 115.9(6) . .
C105 C106 N1 114.3(6) . .
C1 Ru1 C1 180.0(14) 7 .
C1 Ru1 C2 88.5(10) 7 .
C1 Ru1 C2 91.5(10) . .
C1 Ru1 C2 91.5(10) 7 7
C1 Ru1 C2 88.5(10) . 7
C2 Ru1 C2 180.0(4) . 7
C1 Ru1 Cl1 90.6(7) 7 .
C1 Ru1 Cl1 89.4(7) . .
C2 Ru1 Cl1 2.1(8) . .
C2 Ru1 Cl1 177.9(8) 7 .
C1 Ru1 Cl1 89.4(7) 7 7
C1 Ru1 Cl1 90.6(7) . 7
C2 Ru1 Cl1 177.9(8) . 7
C2 Ru1 Cl1 2.1(8) 7 7
Cl1 Ru1 Cl1 180.00(7) . 7
C1 Ru1 Cl2 2.4(6) 7 7
C1 Ru1 Cl2 177.6(6) . 7
C2 Ru1 Cl2 90.6(8) . 7
C2 Ru1 Cl2 89.4(8) 7 7
Cl1 Ru1 Cl2 92.75(19) . 7
Cl1 Ru1 Cl2 87.25(19) 7 7
C1 Ru1 Cl2 177.6(6) 7 .
C1 Ru1 Cl2 2.4(6) . .
C2 Ru1 Cl2 89.4(8) . .
C2 Ru1 Cl2 90.6(8) 7 .
Cl1 Ru1 Cl2 87.25(19) . .
Cl1 Ru1 Cl2 92.75(19) 7 .
Cl2 Ru1 Cl2 180.0(3) 7 .
C1 Ru1 Sn1 89.5(6) 7 .
C1 Ru1 Sn1 90.5(6) . .
C2 Ru1 Sn1 88.7(6) . .
C2 Ru1 Sn1 91.3(6) 7 .
Cl1 Ru1 Sn1 88.45(11) . .
Cl1 Ru1 Sn1 91.55(11) 7 .
Cl2 Ru1 Sn1 88.44(13) 7 .
Cl2 Ru1 Sn1 91.56(13) . .
C1 Ru1 Sn1 90.5(6) 7 7
C1 Ru1 Sn1 89.5(6) . 7
C2 Ru1 Sn1 91.3(6) . 7
C2 Ru1 Sn1 88.7(6) 7 7
Cl1 Ru1 Sn1 91.55(11) . 7
Cl1 Ru1 Sn1 88.45(11) 7 7
Cl2 Ru1 Sn1 91.56(13) 7 7
Cl2 Ru1 Sn1 88.44(13) . 7
Sn1 Ru1 Sn1 180.000(19) . 7
B108 Sn1 B107 47.6(3) . .
B108 Sn1 B105 47.3(2) . .
B107 Sn1 B105 81.0(2) . .
B108 Sn1 B100 81.6(2) . .
B107 Sn1 B100 81.1(2) . .
B105 Sn1 B100 47.8(2) . .
B108 Sn1 B101 81.5(3) . .
B107 Sn1 B101 47.2(3) . .
B105 Sn1 B101 81.3(3) . .
B100 Sn1 B101 47.5(2) . .
B108 Sn1 Ru1 132.98(19) . .
B107 Sn1 Ru1 135.01(18) . .
B105 Sn1 Ru1 136.38(17) . .
B100 Sn1 Ru1 140.03(16) . .
B101 Sn1 Ru1 139.1(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
B100 B102 1.762(10) .
B100 B106 1.769(9) .
B100 B101 1.877(10) .
B100 B105 1.882(9) .
B100 Sn1 2.327(7) .
B101 B102 1.769(11) .
B101 B104 1.777(12) .
B101 B107 1.864(10) .
B101 Sn1 2.333(8) .
N1 C106 1.462(9) .
N1 C103 1.504(9) .
N1 C102 1.506(8) .
N1 C100 1.568(9) .
B102 B104 1.771(10) .
B102 B106 1.779(11) .
B102 B103 1.792(12) .
B103 B110 1.755(13) .
B103 B106 1.772(10) .
B103 B109 1.779(11) .
B103 B104 1.784(13) .
B104 B109 1.770(14) .
B104 B107 1.775(11) .
B105 B110 1.764(10) .
B105 B106 1.766(10) .
B105 B108 1.860(9) .
B105 Sn1 2.322(6) .
B106 B110 1.795(10) .
B107 B109 1.764(11) .
B107 B108 1.867(10) .
B107 Sn1 2.319(7) .
N2 C200 1.078(13) .
B108 B109 1.769(11) .
B108 B110 1.780(10) .
B108 Sn1 2.311(7) .
B109 B110 1.774(12) .
N3 C302 1.452(10) .
N3 C305 1.466(11) .
N3 C301 1.538(11) .
N3 C307 1.586(12) .
C305 C306 1.550(14) .
C304 C307 1.421(12) .
C300 C302 1.537(13) .
C200 C201 1.543(16) .
Cl1 Ru1 2.479(5) .
C1 O1 1.103(19) .
C1 Ru1 1.788(18) .
Cl2 Ru1 2.500(5) .
C2 O2 1.11(2) .
C2 Ru1 1.802(19) .
C102 C101 1.500(10) .
C103 C104 1.514(10) .
C106 C105 1.462(10) .
Ru1 C1 1.788(18) 7
Ru1 C2 1.802(19) 7
Ru1 Cl1 2.479(5) 7
Ru1 Cl2 2.500(5) 7
Ru1 Sn1 2.6171(4) .
Ru1 Sn1 2.6171(4) 7
