#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/68/7006806.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_7006806
loop_
_publ_author_name
'Gädt, Torben'
'Wesemann, Lars'
_publ_section_title
;
 An unprecedented, reversible coordination mode rearrangement:
 eta3(B-H) vs.eta1(Sn) stanna-closo-dodecaborate coordination.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              328
_journal_page_last               329
_journal_paper_doi               10.1039/b514203m
_journal_year                    2006
_chemical_formula_moiety
'C32 H56 B22 N2 P2 Ru Sn2, (C13 H30 N)2, 2.5(C H2 Cl2)'
_chemical_formula_sum            'C60.5 H121 B22 Cl5 N4 P2 Ru Sn2'
_chemical_formula_weight         1720.07
_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
_cell_angle_alpha                103.836(10)
_cell_angle_beta                 94.170(9)
_cell_angle_gamma                103.845(9)
_cell_formula_units_Z            2
_cell_length_a                   10.9379(11)
_cell_length_b                   17.702(2)
_cell_length_c                   23.203(3)
_cell_measurement_reflns_used    45390
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      59.21
_cell_measurement_theta_min      4.06
_cell_volume                     4195.1(9)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2004)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2004)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2004)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 and WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Stoe IPDS 2T'
_diffrn_measurement_method       ω
_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  0.0437
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            40651
_diffrn_reflns_theta_full        29.29
_diffrn_reflns_theta_max         29.29
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    1.004
_exptl_absorpt_correction_T_max  0.8991
_exptl_absorpt_correction_T_min  0.7927
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-Red and X-Shape (Stoe & Cie, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1762
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.403
_refine_diff_density_min         -2.139
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     876
_refine_ls_number_reflns         21839
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.0952
_refine_ls_R_factor_gt           0.0785
_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)+(0.0613P)²+28.3916P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1872
_refine_ls_wR_factor_ref         0.1983
_reflns_number_gt                18034
_reflns_number_total             21839
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b514203m.txt
_cod_data_source_block           tg07
_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_cell_volume        4195.2(8)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C60.50 H121 B22 Cl5 N4 P2 Ru Sn2'
_cod_database_code               7006806
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 0.91372(4) 0.38727(2) 0.24946(2) 0.03659(11) Uani 1 1 d . . .
Sn2 Sn 0.73842(3) 0.10479(2) 0.283796(18) 0.02877(9) Uani 1 1 d . . .
Ru Ru 0.78362(4) 0.24402(3) 0.25408(2) 0.02757(10) Uani 1 1 d . . .
P1 P 0.62812(14) 0.28959(9) 0.30258(8) 0.0353(3) Uani 1 1 d . . .
P2 P 0.67548(14) 0.22147(10) 0.15921(7) 0.0364(3) Uani 1 1 d . . .
N1 N 0.9354(4) 0.2088(3) 0.2167(2) 0.0321(10) Uani 1 1 d . . .
N2 N 0.9045(5) 0.2780(3) 0.3342(2) 0.0337(10) Uani 1 1 d . . .
N3 N 0.6252(13) 0.6326(5) 0.1998(5) 0.106(4) Uani 1 1 d . . .
N4 N 0.2383(5) 0.8649(3) 0.3698(3) 0.0417(12) Uani 1 1 d . . .
C1 C 0.5783(7) 0.3748(4) 0.2832(4) 0.0490(17) Uani 1 1 d . . .
H1C H 0.5567 0.4070 0.3192 0.059 Uiso 1 1 calc R . .
H1D H 0.6508 0.4086 0.2717 0.059 Uiso 1 1 calc R . .
C2 C 0.4664(7) 0.3529(5) 0.2335(4) 0.060(2) Uani 1 1 d . . .
H2C H 0.3886 0.3369 0.2502 0.072 Uiso 1 1 calc R . .
H2D H 0.4643 0.4012 0.2210 0.072 Uiso 1 1 calc R . .
C3 C 0.4658(6) 0.2865(5) 0.1780(4) 0.0539(19) Uani 1 1 d . . .
H3C H 0.3969 0.2833 0.1480 0.065 Uiso 1 1 calc R . .
H3D H 0.4484 0.2354 0.1884 0.065 Uiso 1 1 calc R . .
C4 C 0.5917(6) 0.2979(5) 0.1499(4) 0.0480(16) Uani 1 1 d . . .
H4C H 0.6466 0.3514 0.1689 0.058 Uiso 1 1 calc R . .
H4D H 0.5729 0.2936 0.1076 0.058 Uiso 1 1 calc R . .
C11 C 0.9769(6) 0.3009(4) 0.3759(3) 0.0423(14) Uani 1 1 d . . .
C12 C 1.0709(8) 0.3351(5) 0.4290(4) 0.062(2) Uani 1 1 d . . .
H12A H 1.1397 0.3750 0.4214 0.094 Uiso 1 1 calc R . .
H12B H 1.1029 0.2931 0.4390 0.094 Uiso 1 1 calc R . .
H12C H 1.0324 0.3596 0.4618 0.094 Uiso 1 1 calc R . .
C21 C 1.0240(6) 0.1976(4) 0.1979(3) 0.0397(13) Uani 1 1 d . . .
C22 C 1.1370(7) 0.1860(7) 0.1713(4) 0.068(2) Uani 1 1 d . . .
H22A H 1.1617 0.2245 0.1485 0.102 Uiso 1 1 calc R . .
H22B H 1.1189 0.1324 0.1454 0.102 Uiso 1 1 calc R . .
H22C H 1.2050 0.1936 0.2025 0.102 Uiso 1 1 calc R . .
C111 C 0.6853(6) 0.3320(4) 0.3826(3) 0.0462(16) Uani 1 1 d . . .
C112 C 0.7580(8) 0.4121(5) 0.4027(4) 0.062(2) Uani 1 1 d . . .
H112 H 0.7702 0.4446 0.3764 0.074 Uiso 1 1 calc R . .
C113 C 0.8116(10) 0.4428(7) 0.4624(5) 0.082(3) Uani 1 1 d . . .
H113 H 0.8604 0.4960 0.4758 0.099 Uiso 1 1 calc R . .
C114 C 0.7942(10) 0.3964(7) 0.5016(5) 0.083(3) Uani 1 1 d . . .
H114 H 0.8296 0.4182 0.5416 0.100 Uiso 1 1 calc R . .
C115 C 0.7237(10) 0.3166(7) 0.4821(4) 0.076(3) Uani 1 1 d . . .
H115 H 0.7124 0.2844 0.5087 0.091 Uiso 1 1 calc R . .
C116 C 0.6698(7) 0.2850(5) 0.4222(3) 0.0529(18) Uani 1 1 d . . .
H116 H 0.6228 0.2313 0.4088 0.064 Uiso 1 1 calc R . .
C121 C 0.4729(6) 0.2208(4) 0.3030(3) 0.0403(14) Uani 1 1 d . . .
C122 C 0.3867(7) 0.2481(5) 0.3387(4) 0.0537(19) Uani 1 1 d . . .
H122 H 0.4092 0.3004 0.3636 0.064 Uiso 1 1 calc R . .
C123 C 0.2668(7) 0.1971(6) 0.3373(4) 0.061(2) Uani 1 1 d . . .
H123 H 0.2113 0.2152 0.3623 0.073 Uiso 1 1 calc R . .
C124 C 0.2298(6) 0.1209(5) 0.2996(4) 0.0530(18) Uani 1 1 d . . .
H124 H 0.1481 0.0884 0.2972 0.064 Uiso 1 1 calc R . .
C125 C 0.3154(6) 0.0932(5) 0.2654(4) 0.0458(16) Uani 1 1 d . . .
H125 H 0.2929 0.0405 0.2413 0.055 Uiso 1 1 calc R . .
C126 C 0.4351(6) 0.1430(4) 0.2664(3) 0.0405(14) Uani 1 1 d . . .
H126 H 0.4908 0.1237 0.2420 0.049 Uiso 1 1 calc R . .
C211 C 0.5562(6) 0.1272(4) 0.1204(3) 0.0425(14) Uani 1 1 d . . .
C212 C 0.5630(8) 0.0557(5) 0.1321(3) 0.056(2) Uani 1 1 d . . .
H212 H 0.6271 0.0562 0.1609 0.067 Uiso 1 1 calc R . .
C213 C 0.4767(10) -0.0174(5) 0.1020(4) 0.074(3) Uani 1 1 d . . .
H213 H 0.4842 -0.0649 0.1105 0.089 Uiso 1 1 calc R . .
C214 C 0.3813(10) -0.0191(6) 0.0602(5) 0.081(3) Uani 1 1 d . . .
H214 H 0.3232 -0.0678 0.0401 0.097 Uiso 1 1 calc R . .
C215 C 0.3716(9) 0.0521(7) 0.0478(5) 0.082(3) Uani 1 1 d . . .
H215 H 0.3060 0.0509 0.0195 0.098 Uiso 1 1 calc R . .
C216 C 0.4581(8) 0.1252(6) 0.0769(4) 0.066(2) Uani 1 1 d . . .
H216 H 0.4512 0.1725 0.0677 0.079 Uiso 1 1 calc R . .
C221 C 0.7836(7) 0.2259(5) 0.1025(3) 0.0475(16) Uani 1 1 d . . .
C222 C 0.8288(9) 0.2955(6) 0.0842(4) 0.065(2) Uani 1 1 d . . .
H222 H 0.8007 0.3409 0.0996 0.078 Uiso 1 1 calc R . .
C223 C 0.9158(12) 0.2983(8) 0.0432(5) 0.094(4) Uani 1 1 d . . .
H223 H 0.9453 0.3453 0.0314 0.113 Uiso 1 1 calc R . .
C224 C 0.9574(11) 0.2325(9) 0.0205(5) 0.092(4) Uani 1 1 d . . .
H224 H 1.0155 0.2347 -0.0068 0.111 Uiso 1 1 calc R . .
C225 C 0.9142(9) 0.1623(8) 0.0374(4) 0.079(3) Uani 1 1 d . . .
H225 H 0.9433 0.1173 0.0219 0.095 Uiso 1 1 calc R . .
C226 C 0.8275(7) 0.1595(6) 0.0776(4) 0.061(2) Uani 1 1 d . . .
H226 H 0.7975 0.1118 0.0884 0.073 Uiso 1 1 calc R . .
C301 C 0.5978(11) 0.5989(7) 0.2523(6) 0.093(4) Uani 1 1 d . . .
H30A H 0.5217 0.5542 0.2404 0.111 Uiso 1 1 calc R . .
H30B H 0.6676 0.5778 0.2633 0.111 Uiso 1 1 calc R . .
C302 C 0.5798(14) 0.6575(9) 0.3047(7) 0.118(5) Uani 1 1 d . . .
H30C H 0.5017 0.6717 0.2956 0.141 Uiso 1 1 calc R . .
H30D H 0.6491 0.7061 0.3121 0.141 Uiso 1 1 calc R . .
C303 C 0.5736(14) 0.6302(10) 0.3614(8) 0.118(5) Uani 1 1 d . . .
H30E H 0.5100 0.5788 0.3519 0.142 Uiso 1 1 calc R . .
H30F H 0.6547 0.6199 0.3713 0.142 Uiso 1 1 calc R . .
C304 C 0.548(3) 0.6763(14) 0.4111(10) 0.249(16) Uani 1 1 d . . .
H30G H 0.5483 0.6496 0.4425 0.374 Uiso 1 1 calc R . .
H30H H 0.4664 0.6856 0.4036 0.374 Uiso 1 1 calc R . .
H30I H 0.6120 0.7270 0.4230 0.374 Uiso 1 1 calc R . .
C311 C 0.545(4) 0.6778(16) 0.1810(10) 0.245(19) Uani 1 1 d . . .
H31A H 0.4731 0.6670 0.2030 0.294 Uiso 1 1 calc R . .
H31B H 0.5911 0.7333 0.2002 0.294 Uiso 1 1 calc R . .
C312 C 0.496(2) 0.6819(16) 0.1344(15) 0.228(16) Uani 1 1 d . . .
H31C H 0.4574 0.6264 0.1119 0.273 Uiso 1 1 calc R . .
H31D H 0.5661 0.7018 0.1140 0.273 Uiso 1 1 calc R . .
C313 C 0.3995(16) 0.7270(11) 0.1238(9) 0.134(6) Uani 1 1 d . . .
H31E H 0.3177 0.6972 0.1308 0.161 Uiso 1 1 calc R . .
H31F H 0.4230 0.7789 0.1533 0.161 Uiso 1 1 calc R . .
C314 C 0.384(2) 0.7410(14) 0.0631(11) 0.196(10) Uani 1 1 d . . .
H31G H 0.3148 0.7647 0.0595 0.293 Uiso 1 1 calc R . .
H31H H 0.3672 0.6905 0.0331 0.293 Uiso 1 1 calc R . .
H31I H 0.4610 0.7767 0.0576 0.293 Uiso 1 1 calc R . .
C321 C 0.630(2) 0.5580(8) 0.1459(10) 0.159(9) Uani 1 1 d . . .
H32A H 0.6618 0.5783 0.1132 0.190 Uiso 1 1 calc R . .
H32B H 0.6887 0.5307 0.1594 0.190 Uiso 1 1 calc R . .
C322 C 0.495(2) 0.4940(19) 0.1215(14) 0.214(13) Uani 1 1 d U . .
H32C H 0.4706 0.4643 0.1509 0.256 Uiso 1 1 calc R . .
H32D H 0.4310 0.5219 0.1154 0.256 Uiso 1 1 calc R . .
C323 C 0.502(2) 0.4340(13) 0.0613(12) 0.31(2) Uani 1 1 d DU . .
H32E H 0.5291 0.4618 0.0312 0.371 Uiso 1 1 calc R . .
H32F H 0.5576 0.4003 0.0667 0.371 Uiso 1 1 calc R . .
C324 C 0.3674(14) 0.3872(10) 0.0461(6) 0.110(5) Uani 1 1 d D . .
H32G H 0.3518 0.3561 0.0051 0.165 Uiso 1 1 calc R . .
H32H H 0.3139 0.4234 0.0519 0.165 Uiso 1 1 calc R . .
H32I H 0.3489 0.3516 0.0716 0.165 Uiso 1 1 calc R . .
C331 C 0.7557(18) 0.6864(10) 0.2159(10) 0.164(9) Uani 1 1 d . . .
H33A H 0.7782 0.7098 0.1835 0.246 Uiso 1 1 calc R . .
H33B H 0.8140 0.6559 0.2232 0.246 Uiso 1 1 calc R . .
H33C H 0.7595 0.7285 0.2514 0.246 Uiso 1 1 calc R . .
C401 C 0.1694(8) 0.8336(5) 0.4188(4) 0.059(2) Uani 1 1 d . . .
H40A H 0.1385 0.7753 0.4046 0.071 Uiso 1 1 calc R . .
H40B H 0.2315 0.8456 0.4540 0.071 Uiso 1 1 calc R . .
C402 C 0.0603(9) 0.8662(6) 0.4377(5) 0.069(2) Uani 1 1 d . A .
H40C H 0.0041 0.8634 0.4025 0.082 Uiso 1 1 calc R . .
H40D H 0.0919 0.9224 0.4602 0.082 Uiso 1 1 calc R . .
C403 C -0.0124(8) 0.8186(6) 0.4759(4) 0.062(2) Uani 1 1 d . . .
H40E H -0.0645 0.8493 0.4981 0.074 Uiso 0.541(19) 1 calc PR A 1
H40F H 0.0464 0.8083 0.5045 0.074 Uiso 0.541(19) 1 calc PR A 1
H40E H 0.0461 0.8197 0.5098 0.074 Uiso 0.459(19) 1 calc PR A 2
H40F H -0.0444 0.7629 0.4526 0.074 Uiso 0.459(19) 1 calc PR A 2
C404 C -0.0979(15) 0.7378(10) 0.4354(7) 0.063(5) Uani 0.541(19) 1 d P A 1
H40G H -0.1433 0.7070 0.4598 0.095 Uiso 0.541(19) 1 calc PR A 1
H40H H -0.0461 0.7077 0.4134 0.095 Uiso 0.541(19) 1 calc PR A 1
H40I H -0.1575 0.7483 0.4079 0.095 Uiso 0.541(19) 1 calc PR A 1
C404 C -0.1229(17) 0.8478(15) 0.4995(9) 0.069(7) Uani 0.459(19) 1 d P A 2
H40G H -0.1630 0.8142 0.5234 0.103 Uiso 0.459(19) 1 calc PR A 2
H40H H -0.1834 0.8451 0.4665 0.103 Uiso 0.459(19) 1 calc PR A 2
H40I H -0.0926 0.9025 0.5236 0.103 Uiso 0.459(19) 1 calc PR A 2
C411 C 0.2737(8) 0.9539(5) 0.3831(4) 0.0564(19) Uani 1 1 d . . .
H41A H 0.3149 0.9692 0.3504 0.068 Uiso 1 1 calc R . .
H41B H 0.1963 0.9716 0.3839 0.068 Uiso 1 1 calc R . .
C412 C 0.3578(9) 0.9976(6) 0.4393(5) 0.070(2) Uani 1 1 d . . .
H41C H 0.4368 0.9819 0.4392 0.084 Uiso 1 1 calc R . .
H41D H 0.3176 0.9843 0.4728 0.084 Uiso 1 1 calc R . .
C413 C 0.3854(13) 1.0896(6) 0.4463(8) 0.111(6) Uani 1 1 d . . .
H41E H 0.4061 1.0985 0.4081 0.133 Uiso 1 1 calc R . .
H41F H 0.3063 1.1040 0.4524 0.133 Uiso 1 1 calc R . .
C414 C 0.4637(19) 1.1359(17) 0.4832(11) 0.202(12) Uani 1 1 d . . .
H41G H 0.4684 1.1895 0.4799 0.303 Uiso 1 1 calc R . .
H41H H 0.5443 1.1244 0.4781 0.303 Uiso 1 1 calc R . .
H41I H 0.4430 1.1318 0.5221 0.303 Uiso 1 1 calc R . .
C421 C 0.1443(8) 0.8269(5) 0.3113(4) 0.0563(19) Uani 1 1 d . . .
H42A H 0.1259 0.7686 0.3033 0.068 Uiso 1 1 calc R . .
H42B H 0.0654 0.8414 0.3177 0.068 Uiso 1 1 calc R . .
C422 C 0.1866(11) 0.8496(8) 0.2588(4) 0.081(3) Uani 1 1 d . . .
H42C H 0.2132 0.9081 0.2694 0.097 Uiso 1 1 calc R . .
H42D H 0.2623 0.8313 0.2518 0.097 Uiso 1 1 calc R . .
C423 C 0.1061(14) 0.8242(10) 0.2025(5) 0.109(5) Uani 1 1 d . . .
H42E H 0.0887 0.7659 0.1907 0.131 Uiso 1 1 calc R . .
H42F H 0.0263 0.8358 0.2117 0.131 Uiso 1 1 calc R . .
C424 C 0.129(2) 0.8481(13) 0.1509(6) 0.156(8) Uani 1 1 d . . .
H42G H 0.0581 0.8207 0.1201 0.234 Uiso 1 1 calc R . .
H42H H 0.2045 0.8348 0.1378 0.234 Uiso 1 1 calc R . .
H42I H 0.1408 0.9053 0.1589 0.234 Uiso 1 1 calc R . .
C431 C 0.3457(8) 0.8271(5) 0.3640(4) 0.058(2) Uani 1 1 d . . .
H43A H 0.3136 0.7696 0.3558 0.088 Uiso 1 1 calc R . .
H43B H 0.4035 0.8471 0.4008 0.088 Uiso 1 1 calc R . .
H43C H 0.3894 0.8400 0.3318 0.088 Uiso 1 1 calc R . .
B1A B 0.6862(7) -0.0352(4) 0.2422(3) 0.0379(14) Uani 1 1 d . . .
H1A H 0.6362 -0.0515 0.1963 0.045 Uiso 1 1 calc R . .
B2A B 0.8613(6) 0.0130(4) 0.2622(3) 0.0370(14) Uani 1 1 d . . .
H2A H 0.9233 0.0279 0.2291 0.044 Uiso 1 1 calc R . .
B3A B 0.8920(6) 0.0726(4) 0.3423(4) 0.0373(14) Uani 1 1 d . . .
H3A H 0.9737 0.1255 0.3604 0.045 Uiso 1 1 calc R . .
B4A B 0.7370(7) 0.0631(4) 0.3720(3) 0.0375(14) Uani 1 1 d . . .
H4A H 0.7195 0.1099 0.4087 0.045 Uiso 1 1 calc R . .
B5A B 0.6096(6) -0.0039(4) 0.3104(3) 0.0379(15) Uani 1 1 d . . .
H5A H 0.5106 0.0000 0.3080 0.045 Uiso 1 1 calc R . .
B6A B 0.7931(7) -0.0878(4) 0.2616(4) 0.0399(15) Uani 1 1 d . . .
H6A H 0.8117 -0.1365 0.2268 0.048 Uiso 1 1 calc R . .
B7A B 0.9137(7) -0.0249(4) 0.3197(4) 0.0407(16) Uani 1 1 d . . .
H7A H 1.0105 -0.0328 0.3226 0.049 Uiso 1 1 calc R . .
B8A B 0.8408(7) 0.0037(5) 0.3855(4) 0.0416(16) Uani 1 1 d . . .
H8A H 0.8899 0.0142 0.4309 0.050 Uiso 1 1 calc R . .
B9A B 0.6753(7) -0.0407(5) 0.3663(4) 0.0432(16) Uani 1 1 d . . .
H9A H 0.6166 -0.0586 0.3998 0.052 Uiso 1 1 calc R . .
B10A B 0.6446(7) -0.0982(5) 0.2906(4) 0.0428(16) Uani 1 1 d . . .
H10A H 0.5664 -0.1536 0.2748 0.051 Uiso 1 1 calc R . .
B11A B 0.7823(8) -0.0958(5) 0.3369(4) 0.0455(17) Uani 1 1 d . . .
H11A H 0.7934 -0.1493 0.3509 0.055 Uiso 1 1 calc R . .
B1B B 0.9548(11) 0.4877(5) 0.1999(5) 0.061(2) Uani 1 1 d . . .
H1B H 0.8787 0.4757 0.1625 0.074 Uiso 1 1 calc R . .
B2B B 1.0807(10) 0.4296(5) 0.1987(5) 0.060(2) Uani 1 1 d . . .
H2B H 1.0854 0.3807 0.1602 0.072 Uiso 1 1 calc R . .
B3B B 1.1324(7) 0.4319(5) 0.2779(5) 0.051(2) Uani 1 1 d . . .
H3B H 1.1691 0.3841 0.2897 0.061 Uiso 1 1 calc R . .
B4B B 1.0430(8) 0.4899(5) 0.3274(4) 0.0484(19) Uani 1 1 d . . .
H4B H 1.0224 0.4792 0.3709 0.058 Uiso 1 1 calc R . .
B5B B 0.9342(9) 0.5256(5) 0.2795(5) 0.057(2) Uani 1 1 d . . .
H5B H 0.8451 0.5380 0.2929 0.069 Uiso 1 1 calc R . .
B6B B 1.1182(13) 0.5312(6) 0.1940(6) 0.079(3) Uani 1 1 d . . .
H6B H 1.1444 0.5443 0.1519 0.094 Uiso 1 1 calc R . .
B7B B 1.2205(10) 0.4995(5) 0.2416(6) 0.073(3) Uani 1 1 d . . .
H7B H 1.3142 0.4935 0.2304 0.087 Uiso 1 1 calc R . .
B8B B 1.1994(10) 0.5342(5) 0.3167(5) 0.064(3) Uani 1 1 d . . .
H8B H 1.2779 0.5503 0.3535 0.077 Uiso 1 1 calc R . .
B9B B 1.0834(10) 0.5892(5) 0.3174(5) 0.064(3) Uani 1 1 d . . .
H9B H 1.0871 0.6410 0.3555 0.076 Uiso 1 1 calc R . .
B10B B 1.0324(13) 0.5876(6) 0.2422(6) 0.075(3) Uani 1 1 d . . .
H10B H 1.0029 0.6383 0.2312 0.090 Uiso 1 1 calc R . .
B11B B 1.1905(10) 0.5955(5) 0.2651(6) 0.066(3) Uani 1 1 d . . .
H11B H 1.2634 0.6519 0.2687 0.079 Uiso 1 1 calc R . .
C50 C 0.8327(13) 0.9179(7) 0.1057(5) 0.091(4) Uani 1 1 d . . .
H50A H 0.7684 0.9460 0.1170 0.109 Uiso 1 1 calc R . .
H50B H 0.8737 0.9108 0.1418 0.109 Uiso 1 1 calc R . .
Cl1 Cl 0.9422(3) 0.97485(18) 0.07434(15) 0.0941(9) Uani 1 1 d . . .
Cl2 Cl 0.7598(4) 0.8234(2) 0.05659(17) 0.1077(11) Uani 1 1 d . . .
C51 C 0.503(5) 0.469(3) 0.499(2) 0.160(16) Uiso 0.50 1 d P . .
Cl3A Cl 0.4101(8) 0.4634(5) 0.4356(4) 0.103(3) Uani 0.50 1 d P . .
Cl3B Cl 0.4178(15) 0.4288(11) 0.4669(7) 0.222(10) Uani 0.50 1 d P . .
C52 C 0.1602(17) 0.4200(8) -0.0077(4) 0.162(10) Uiso 0.791(15) 1 d PG B 1
H52A H 0.2413 0.4175 0.0104 0.194 Uiso 0.791(15) 1 calc PR B 1
H52B H 0.0993 0.4131 0.0202 0.194 Uiso 0.791(15) 1 calc PR B 1
C52 C 0.0604(14) 0.4219(7) -0.0700(8) 0.064(11) Uiso 0.209(15) 1 d PG B 2
H52A H -0.0167 0.3866 -0.0632 0.077 Uiso 0.209(15) 1 calc PR B 2
H52B H 0.0399 0.4572 -0.0932 0.077 Uiso 0.209(15) 1 calc PR B 2
Cl4 Cl 0.1105(11) 0.3467(7) -0.0716(6) 0.243(5) Uiso 0.791(15) 1 d PG B 1
Cl5 Cl 0.1758(12) 0.5126(8) -0.0230(7) 0.278(7) Uiso 0.791(15) 1 d PG B 1
Cl4 Cl 0.1536(17) 0.3765(8) -0.0966(6) 0.220 Uiso 0.209(15) 1 d PG B 2
Cl5 Cl 0.1765(14) 0.4800(9) 0.0036(5) 0.195(16) Uiso 0.209(15) 1 d PG B 2
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'
P P 0.1023 0.0942 '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'
N N 0.0061 0.0033 '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
B1B Sn1 B2B 48.5(4) . . ?
B1B Sn1 B3B 82.2(4) . . ?
B2B Sn1 B3B 47.6(4) . . ?
B1B Sn1 B4B 81.7(4) . . ?
B2B Sn1 B4B 81.1(3) . . ?
B3B Sn1 B4B 46.8(3) . . ?
B1B Sn1 B5B 47.2(4) . . ?
B2B Sn1 B5B 81.4(4) . . ?
B3B Sn1 B5B 81.1(3) . . ?
B4B Sn1 B5B 47.8(3) . . ?
B1B Sn1 Ru 149.9(3) . . ?
B2B Sn1 Ru 132.8(2) . . ?
B3B Sn1 Ru 121.5(2) . . ?
B4B Sn1 Ru 127.6(2) . . ?
B5B Sn1 Ru 145.7(3) . . ?
B2A Sn2 B4A 80.6(3) . . ?
B2A Sn2 B5A 80.6(3) . . ?
B4A Sn2 B5A 47.2(3) . . ?
B2A Sn2 B3A 47.0(3) . . ?
B4A Sn2 B3A 46.9(3) . . ?
B5A Sn2 B3A 80.3(3) . . ?
B2A Sn2 B1A 47.2(2) . . ?
B4A Sn2 B1A 80.8(3) . . ?
B5A Sn2 B1A 47.2(3) . . ?
B3A Sn2 B1A 80.5(3) . . ?
B2A Sn2 Ru 124.13(18) . . ?
B4A Sn2 Ru 137.02(18) . . ?
B5A Sn2 Ru 153.82(18) . . ?
B3A Sn2 Ru 121.88(18) . . ?
B1A Sn2 Ru 142.2(2) . . ?
N2 Ru N1 84.4(2) . . ?
N2 Ru P1 90.94(15) . . ?
N1 Ru P1 175.09(14) . . ?
N2 Ru P2 170.11(16) . . ?
N1 Ru P2 90.49(15) . . ?
P1 Ru P2 93.91(6) . . ?
N2 Ru Sn1 80.40(15) . . ?
N1 Ru Sn1 82.75(13) . . ?
P1 Ru Sn1 95.02(5) . . ?
P2 Ru Sn1 90.58(5) . . ?
N2 Ru Sn2 79.63(14) . . ?
N1 Ru Sn2 84.81(14) . . ?
P1 Ru Sn2 95.84(5) . . ?
P2 Ru Sn2 108.39(5) . . ?
Sn1 Ru Sn2 157.37(2) . . ?
C111 P1 C121 102.1(3) . . ?
C111 P1 C1 101.3(4) . . ?
C121 P1 C1 101.0(3) . . ?
C111 P1 Ru 109.9(2) . . ?
C121 P1 Ru 121.5(2) . . ?
C1 P1 Ru 118.3(3) . . ?
C221 P2 C211 99.4(3) . . ?
C221 P2 C4 101.9(4) . . ?
C211 P2 C4 101.7(3) . . ?
C221 P2 Ru 112.0(2) . . ?
C211 P2 Ru 123.4(2) . . ?
C4 P2 Ru 115.4(3) . . ?
C21 N1 Ru 173.1(5) . . ?
C11 N2 Ru 174.3(6) . . ?
C311 N3 C331 107.4(18) . . ?
C311 N3 C301 118.9(17) . . ?
C331 N3 C301 106.0(13) . . ?
C311 N3 C321 110.9(15) . . ?
C331 N3 C321 106.9(13) . . ?
C301 N3 C321 106.0(9) . . ?
C411 N4 C431 115.5(6) . . ?
C411 N4 C421 110.7(6) . . ?
C431 N4 C421 107.4(6) . . ?
C411 N4 C401 112.7(6) . . ?
C431 N4 C401 104.3(6) . . ?
C421 N4 C401 105.5(6) . . ?
C2 C1 P1 116.8(5) . . ?
C3 C2 C1 116.7(6) . . ?
C2 C3 C4 114.7(7) . . ?
C3 C4 P2 111.4(5) . . ?
N2 C11 C12 176.6(8) . . ?
N1 C21 C22 176.6(8) . . ?
C116 C111 C112 119.2(8) . . ?
C116 C111 P1 121.6(6) . . ?
C112 C111 P1 118.9(7) . . ?
C113 C112 C111 119.4(10) . . ?
C114 C113 C112 121.1(10) . . ?
C113 C114 C115 120.1(9) . . ?
C114 C115 C116 119.2(11) . . ?
C111 C116 C115 120.9(9) . . ?
C126 C121 C122 118.0(6) . . ?
C126 C121 P1 121.9(5) . . ?
C122 C121 P1 120.0(5) . . ?
C123 C122 C121 120.2(7) . . ?
C124 C123 C122 121.0(7) . . ?
C123 C124 C125 118.9(7) . . ?
C124 C125 C126 120.7(7) . . ?
C121 C126 C125 121.0(6) . . ?
C212 C211 C216 118.1(7) . . ?
C212 C211 P2 120.3(5) . . ?
C216 C211 P2 121.6(6) . . ?
C211 C212 C213 121.9(7) . . ?
C214 C213 C212 120.0(9) . . ?
C213 C214 C215 119.4(8) . . ?
C214 C215 C216 121.2(8) . . ?
C215 C216 C211 119.5(9) . . ?
C222 C221 C226 117.2(8) . . ?
C222 C221 P2 122.3(6) . . ?
C226 C221 P2 120.5(7) . . ?
C221 C222 C223 121.0(10) . . ?
C224 C223 C222 120.0(12) . . ?
C223 C224 C225 120.6(10) . . ?
C226 C225 C224 119.2(11) . . ?
C225 C226 C221 122.0(10) . . ?
C302 C301 N3 113.9(11) . . ?
C301 C302 C303 115.5(15) . . ?
C304 C303 C302 121(2) . . ?
C312 C311 N3 137(2) . . ?
C311 C312 C313 129(3) . . ?
C314 C313 C312 116(2) . . ?
C322 C321 N3 113.9(18) . . ?
C323 C322 C321 110.3(17) . . ?
C324 C323 C322 100(2) . . ?
C402 C401 N4 116.9(7) . . ?
C401 C402 C403 110.5(9) . . ?
C402 C403 C404 115.4(11) . . ?
C402 C403 C404 109.5(9) . . ?
C404 C403 C404 94.0(12) . . ?
C412 C411 N4 116.1(7) . . ?
C411 C412 C413 109.5(9) . . ?
C414 C413 C412 121.5(19) . . ?
C422 C421 N4 115.7(7) . . ?
C423 C422 C421 122.1(11) . . ?
C424 C423 C422 128.1(16) . . ?
B6A B1A B10A 60.9(4) . . ?
B6A B1A B5A 106.6(5) . . ?
B10A B1A B5A 57.8(4) . . ?
B6A B1A B2A 57.8(4) . . ?
B10A B1A B2A 106.5(5) . . ?
B5A B1A B2A 107.5(5) . . ?
B6A B1A Sn2 117.9(4) . . ?
B10A B1A Sn2 117.8(5) . . ?
B5A B1A Sn2 66.2(3) . . ?
B2A B1A Sn2 66.1(3) . . ?
B7A B2A B6A 60.5(4) . . ?
B7A B2A B3A 58.2(4) . . ?
B6A B2A B3A 106.6(5) . . ?
B7A B2A B1A 106.5(5) . . ?
B6A B2A B1A 57.7(4) . . ?
B3A B2A B1A 108.1(5) . . ?
B7A B2A Sn2 118.7(4) . . ?
B6A B2A Sn2 118.3(4) . . ?
B3A B2A Sn2 66.7(3) . . ?
B1A B2A Sn2 66.7(3) . . ?
B7A B3A B8A 61.1(4) . . ?
B7A B3A B4A 107.3(5) . . ?
B8A B3A B4A 58.6(4) . . ?
B7A B3A B2A 57.6(4) . . ?
B8A B3A B2A 107.0(5) . . ?
B4A B3A B2A 108.3(5) . . ?
B7A B3A Sn2 117.9(4) . . ?
B8A B3A Sn2 118.7(4) . . ?
B4A B3A Sn2 66.4(3) . . ?
B2A B3A Sn2 66.3(3) . . ?
B9A B4A B8A 59.8(4) . . ?
B9A B4A B3A 106.0(5) . . ?
B8A B4A B3A 58.3(4) . . ?
B9A B4A B5A 57.9(4) . . ?
B8A B4A B5A 106.3(5) . . ?
B3A B4A B5A 107.9(5) . . ?
B9A B4A Sn2 118.1(4) . . ?
B8A B4A Sn2 118.7(5) . . ?
B3A B4A Sn2 66.7(3) . . ?
B5A B4A Sn2 66.5(3) . . ?
B10A B5A B9A 60.2(5) . . ?
B10A B5A B4A 106.7(5) . . ?
B9A B5A B4A 58.1(4) . . ?
B10A B5A B1A 58.2(4) . . ?
B9A B5A B1A 106.4(5) . . ?
B4A B5A B1A 108.2(5) . . ?
B10A B5A Sn2 118.6(4) . . ?
B9A B5A Sn2 118.2(4) . . ?
B4A B5A Sn2 66.4(3) . . ?
B1A B5A Sn2 66.6(3) . . ?
B1A B6A B2A 64.5(4) . . ?
B1A B6A B7A 111.1(5) . . ?
B2A B6A B7A 59.5(4) . . ?
B1A B6A B10A 60.0(4) . . ?
B2A B6A B10A 110.9(5) . . ?
B7A B6A B10A 107.9(6) . . ?
B1A B6A B11A 109.5(5) . . ?
B2A B6A B11A 110.0(5) . . ?
B7A B6A B11A 60.9(4) . . ?
B10A B6A B11A 59.2(5) . . ?
B2A B7A B3A 64.3(4) . . ?
B2A B7A B6A 60.0(4) . . ?
B3A B7A B6A 111.0(5) . . ?
B2A B7A B8A 111.3(5) . . ?
B3A B7A B8A 59.9(4) . . ?
B6A B7A B8A 108.2(5) . . ?
B2A B7A B11A 110.0(5) . . ?
B3A B7A B11A 109.1(5) . . ?
B6A B7A B11A 60.5(4) . . ?
B8A B7A B11A 59.5(5) . . ?
B9A B8A B3A 109.8(5) . . ?
B9A B8A B4A 59.7(4) . . ?
B3A B8A B4A 63.2(4) . . ?
B9A B8A B11A 59.7(5) . . ?
B3A B8A B11A 109.3(6) . . ?
B4A B8A B11A 109.2(5) . . ?
B9A B8A B7A 107.4(5) . . ?
B3A B8A B7A 59.0(4) . . ?
B4A B8A B7A 109.3(5) . . ?
B11A B8A B7A 60.5(5) . . ?
B5A B9A B4A 63.9(4) . . ?
B5A B9A B10A 59.9(4) . . ?
B4A B9A B10A 111.1(6) . . ?
B5A B9A B8A 111.5(5) . . ?
B4A B9A B8A 60.5(4) . . ?
B10A B9A B8A 108.8(6) . . ?
B5A B9A B11A 110.0(6) . . ?
B4A B9A B11A 110.5(5) . . ?
B10A B9A B11A 60.1(5) . . ?
B8A B9A B11A 60.6(4) . . ?
B5A B10A B9A 59.9(5) . . ?
B5A B10A B11A 109.9(5) . . ?
B9A B10A B11A 60.0(5) . . ?
B5A B10A B1A 64.0(4) . . ?
B9A B10A B1A 110.7(5) . . ?
B11A B10A B1A 109.9(5) . . ?
B5A B10A B6A 110.1(5) . . ?
B9A B10A B6A 107.8(5) . . ?
B11A B10A B6A 60.7(5) . . ?
B1A B10A B6A 59.1(4) . . ?
B9A B11A B10A 59.9(5) . . ?
B9A B11A B8A 59.7(4) . . ?
B10A B11A B8A 107.9(5) . . ?
B9A B11A B6A 107.3(5) . . ?
B10A B11A B6A 60.2(5) . . ?
B8A B11A B6A 107.2(5) . . ?
B9A B11A B7A 106.9(5) . . ?
B10A B11A B7A 106.9(6) . . ?
B8A B11A B7A 60.0(4) . . ?
B6A B11A B7A 58.7(4) . . ?
B10B B1B B6B 60.1(7) . . ?
B10B B1B B5B 58.3(6) . . ?
B6B B1B B5B 106.4(8) . . ?
B10B B1B B2B 105.4(7) . . ?
B6B B1B B2B 57.3(6) . . ?
B5B B1B B2B 107.3(7) . . ?
B10B B1B Sn1 118.4(7) . . ?
B6B B1B Sn1 117.3(7) . . ?
B5B B1B Sn1 66.8(4) . . ?
B2B B1B Sn1 65.8(4) . . ?
B7B B2B B6B 60.5(7) . . ?
B7B B2B B3B 57.9(6) . . ?
B6B B2B B3B 107.2(7) . . ?
B7B B2B B1B 106.0(6) . . ?
B6B B2B B1B 58.4(6) . . ?
B3B B2B B1B 107.7(6) . . ?
B7B B2B Sn1 117.6(7) . . ?
B6B B2B Sn1 118.1(7) . . ?
B3B B2B Sn1 66.4(4) . . ?
B1B B2B Sn1 65.7(4) . . ?
B8B B3B B7B 59.6(6) . . ?
B8B B3B B4B 58.5(5) . . ?
B7B B3B B4B 106.0(6) . . ?
B8B B3B B2B 106.7(7) . . ?
B7B B3B B2B 58.2(6) . . ?
B4B B3B B2B 108.4(6) . . ?
B8B B3B Sn1 118.5(5) . . ?
B7B B3B Sn1 117.5(6) . . ?
B4B B3B Sn1 66.6(3) . . ?
B2B B3B Sn1 66.0(4) . . ?
B8B B4B B9B 60.0(5) . . ?
B8B B4B B3B 58.4(5) . . ?
B9B B4B B3B 106.4(7) . . ?
B8B B4B B5B 106.3(7) . . ?
B9B B4B B5B 57.7(5) . . ?
B3B B4B B5B 108.3(7) . . ?
B8B B4B Sn1 118.4(6) . . ?
B9B B4B Sn1 117.6(6) . . ?
B3B B4B Sn1 66.6(3) . . ?
B5B B4B Sn1 66.3(4) . . ?
B10B B5B B9B 60.5(7) . . ?
B10B B5B B1B 58.4(6) . . ?
B9B B5B B1B 107.1(7) . . ?
B10B B5B B4B 106.8(7) . . ?
B9B B5B B4B 58.2(5) . . ?
B1B B5B B4B 108.2(6) . . ?
B10B B5B Sn1 117.8(6) . . ?
B9B B5B Sn1 117.7(5) . . ?
B1B B5B Sn1 66.0(4) . . ?
B4B B5B Sn1 65.9(3) . . ?
B11B B6B B2B 108.9(9) . . ?
B11B B6B B10B 58.4(7) . . ?
B2B B6B B10B 110.3(8) . . ?
B11B B6B B7B 59.8(7) . . ?
B2B B6B B7B 59.6(6) . . ?
B10B B6B B7B 106.3(9) . . ?
B11B B6B B1B 107.6(9) . . ?
B2B B6B B1B 64.3(6) . . ?
B10B B6B B1B 59.3(7) . . ?
B7B B6B B1B 110.0(8) . . ?
B8B B7B B3B 60.2(6) . . ?
B8B B7B B11B 61.7(6) . . ?
B3B B7B B11B 110.4(7) . . ?
B8B B7B B2B 111.6(7) . . ?
B3B B7B B2B 63.9(5) . . ?
B11B B7B B2B 108.9(8) . . ?
B8B B7B B6B 110.0(8) . . ?
B3B B7B B6B 111.4(7) . . ?
B11B B7B B6B 59.5(7) . . ?
B2B B7B B6B 59.9(7) . . ?
B7B B8B B3B 60.3(6) . . ?
B7B B8B B4B 110.1(6) . . ?
B3B B8B B4B 63.1(5) . . ?
B7B B8B B9B 107.1(8) . . ?
B3B B8B B9B 110.5(6) . . ?
B4B B8B B9B 60.5(6) . . ?
B7B B8B B11B 59.6(6) . . ?
B3B B8B B11B 108.7(8) . . ?
B4B B8B B11B 108.1(7) . . ?
B9B B8B B11B 58.5(6) . . ?
B11B B9B B5B 108.4(8) . . ?
B11B B9B B8B 61.7(6) . . ?
B5B B9B B8B 111.0(6) . . ?
B11B B9B B4B 109.9(7) . . ?
B5B B9B B4B 64.0(5) . . ?
B8B B9B B4B 59.5(5) . . ?
B11B B9B B10B 58.7(7) . . ?
B5B B9B B10B 59.7(7) . . ?
B8B B9B B10B 108.7(8) . . ?
B4B B9B B10B 110.7(7) . . ?
B11B B10B B5B 109.3(8) . . ?
B11B B10B B1B 110.2(8) . . ?
B5B B10B B1B 63.3(6) . . ?
B11B B10B B9B 59.7(7) . . ?
B5B B10B B9B 59.8(6) . . ?
B1B B10B B9B 110.4(7) . . ?
B11B B10B B6B 60.2(7) . . ?
B5B B10B B6B 110.7(7) . . ?
B1B B10B B6B 60.6(7) . . ?
B9B B10B B6B 107.8(9) . . ?
B10B B11B B9B 61.6(7) . . ?
B10B B11B B6B 61.4(8) . . ?
B9B B11B B6B 110.3(8) . . ?
B10B B11B B7B 109.5(7) . . ?
B9B B11B B7B 107.3(7) . . ?
B6B B11B B7B 60.7(7) . . ?
B10B B11B B8B 109.4(7) . . ?
B9B B11B B8B 59.7(6) . . ?
B6B B11B B8B 108.5(7) . . ?
B7B B11B B8B 58.6(7) . . ?
Cl1 C50 Cl2 111.8(6) . . ?
C51 C51 Cl3B 104(7) 2_666 . ?
C51 C51 Cl3A 73(5) 2_666 . ?
Cl3B C51 Cl3A 38(2) . . ?
C51 C51 Cl3A 70(5) 2_666 2_666 ?
Cl3B C51 Cl3A 159(5) . 2_666 ?
Cl3A C51 Cl3A 142(2) . 2_666 ?
C51 C51 Cl3B 38(4) 2_666 2_666 ?
Cl3B C51 Cl3B 143(4) . 2_666 ?
Cl3A C51 Cl3B 108(2) . 2_666 ?
Cl3A C51 Cl3B 35.5(13) 2_666 2_666 ?
Cl3B Cl3A C51 40.2(19) . . ?
Cl3B Cl3A C51 73.9(17) . 2_666 ?
C51 Cl3A C51 38(2) . 2_666 ?
Cl3A Cl3B C51 102(3) . . ?
Cl3A Cl3B C51 71(2) . 2_666 ?
C51 Cl3B C51 37(4) . 2_666 ?
Cl4 C52 Cl5 109.3 . . ?
Cl4 C52 Cl5 93.5 . . ?
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 B1B 2.315(9) . ?
Sn1 B2B 2.316(9) . ?
Sn1 B3B 2.323(8) . ?
Sn1 B4B 2.324(8) . ?
Sn1 B5B 2.331(8) . ?
Sn1 Ru 2.6253(7) . ?
Sn2 B2A 2.335(7) . ?
Sn2 B4A 2.336(8) . ?
Sn2 B5A 2.338(7) . ?
Sn2 B3A 2.341(7) . ?
Sn2 B1A 2.344(7) . ?
Sn2 Ru 2.6596(7) . ?
Ru N2 2.072(5) . ?
Ru N1 2.084(5) . ?
Ru P1 2.3046(16) . ?
Ru P2 2.3195(17) . ?
P1 C111 1.827(8) . ?
P1 C121 1.839(6) . ?
P1 C1 1.859(7) . ?
P2 C221 1.835(8) . ?
P2 C211 1.835(7) . ?
P2 C4 1.849(7) . ?
N1 C21 1.132(8) . ?
N2 C11 1.128(8) . ?
N3 C311 1.43(2) . ?
N3 C331 1.48(2) . ?
N3 C301 1.500(16) . ?
N3 C321 1.600(19) . ?
N4 C411 1.477(9) . ?
N4 C431 1.484(9) . ?
N4 C421 1.542(10) . ?
N4 C401 1.549(11) . ?
C1 C2 1.528(11) . ?
C2 C3 1.521(12) . ?
C3 C4 1.556(10) . ?
C11 C12 1.451(10) . ?
C21 C22 1.457(9) . ?
C111 C116 1.374(12) . ?
C111 C112 1.397(11) . ?
C112 C113 1.388(13) . ?
C113 C114 1.358(17) . ?
C114 C115 1.385(15) . ?
C115 C116 1.394(12) . ?
C121 C126 1.381(9) . ?
C121 C122 1.396(9) . ?
C122 C123 1.396(10) . ?
C123 C124 1.368(12) . ?
C124 C125 1.375(11) . ?
C125 C126 1.388(9) . ?
C211 C212 1.373(11) . ?
C211 C216 1.406(9) . ?
C212 C213 1.393(10) . ?
C213 C214 1.361(12) . ?
C214 C215 1.384(15) . ?
C215 C216 1.390(12) . ?
C221 C222 1.390(12) . ?
C221 C226 1.390(12) . ?
C222 C223 1.396(13) . ?
C223 C224 1.354(18) . ?
C224 C225 1.380(18) . ?
C225 C226 1.379(13) . ?
C301 C302 1.457(18) . ?
C302 C303 1.51(2) . ?
C303 C304 1.33(3) . ?
C311 C312 1.19(3) . ?
C312 C313 1.51(3) . ?
C313 C314 1.49(3) . ?
C321 C322 1.60(3) . ?
C322 C323 1.56(4) . ?
C323 C324 1.475(19) . ?
C401 C402 1.494(13) . ?
C402 C403 1.506(12) . ?
C403 C404 1.51(2) . ?
C403 C404 1.547(17) . ?
C411 C412 1.466(13) . ?
C412 C413 1.549(14) . ?
C413 C414 1.17(3) . ?
C421 C422 1.447(13) . ?
C422 C423 1.429(15) . ?
C423 C424 1.383(18) . ?
B1A B6A 1.756(11) . ?
B1A B10A 1.772(11) . ?
B1A B5A 1.873(11) . ?
B1A B2A 1.873(10) . ?
B2A B7A 1.748(11) . ?
B2A B6A 1.757(10) . ?
B2A B3A 1.865(11) . ?
B3A B7A 1.759(10) . ?
B3A B8A 1.775(11) . ?
B3A B4A 1.862(10) . ?
B4A B9A 1.768(11) . ?
B4A B8A 1.780(11) . ?
B4A B5A 1.870(10) . ?
B5A B10A 1.763(11) . ?
B5A B9A 1.764(11) . ?
B6A B7A 1.765(11) . ?
B6A B10A 1.789(11) . ?
B6A B11A 1.798(12) . ?
B7A B8A 1.796(12) . ?
B7A B11A 1.805(11) . ?
B8A B9A 1.769(11) . ?
B8A B11A 1.786(11) . ?
B9A B10A 1.768(12) . ?
B9A B11A 1.770(12) . ?
B10A B11A 1.772(11) . ?
B1B B10B 1.773(15) . ?
B1B B6B 1.798(17) . ?
B1B B5B 1.860(16) . ?
B1B B2B 1.903(15) . ?
B2B B7B 1.773(15) . ?
B2B B6B 1.777(14) . ?
B2B B3B 1.872(16) . ?
B3B B8B 1.765(12) . ?
B3B B7B 1.766(14) . ?
B3B B4B 1.847(12) . ?
B4B B8B 1.765(14) . ?
B4B B9B 1.782(13) . ?
B4B B5B 1.885(13) . ?
B5B B10B 1.770(16) . ?
B5B B9B 1.772(14) . ?
B6B B11B 1.767(18) . ?
B6B B10B 1.788(19) . ?
B6B B7B 1.79(2) . ?
B7B B8B 1.754(18) . ?
B7B B11B 1.772(14) . ?
B8B B9B 1.774(15) . ?
B8B B11B 1.809(16) . ?
B9B B11B 1.752(16) . ?
B9B B10B 1.785(18) . ?
B10B B11B 1.734(17) . ?
C50 Cl1 1.697(12) . ?
C50 Cl2 1.747(12) . ?
C51 C51 1.11(8) 2_666 ?
C51 Cl3B 1.12(6) . ?
C51 Cl3A 1.70(5) . ?
C51 Cl3A 1.73(6) 2_666 ?
C51 Cl3B 1.76(5) 2_666 ?
Cl3A Cl3B 1.07(2) . ?
Cl3A C51 1.73(6) 2_666 ?
Cl3B C51 1.76(5) 2_666 ?
Cl4 C52 1.673(9) . ?
Cl5 C52 1.728(9) . ?
Cl4 C52 1.521(8) . ?
Cl5 C52 1.952(10) . ?
