#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:45:54 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179763 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/59/7005981.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_7005981
loop_
_publ_author_name
'Albertin, Gabriele'
'Antoniutti, Stefano'
'Castro, Jesús'
'García-Fontán, Soledad'
'Noé, Marco'
_publ_section_title
;
 Preparation of stannyl complexes of ruthenium and osmium stabilised by
 polypyridine and phosphite ligands.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5441
_journal_page_last               5452
_journal_paper_doi               10.1039/b707736j
_journal_year                    2007
_chemical_formula_sum            'C56 H66 B N4 O4 P Ru Sn'
_chemical_formula_weight         1120.67
_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                93.132(2)
_cell_angle_beta                 95.390(2)
_cell_angle_gamma                94.700(2)
_cell_formula_units_Z            2
_cell_length_a                   12.2313(10)
_cell_length_b                   13.9015(11)
_cell_length_c                   16.1270(13)
_cell_measurement_temperature    293(2)
_cell_volume                     2715.5(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and 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  0.0762
_diffrn_reflns_av_sigmaI/netI    0.2013
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18049
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.04
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    0.815
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5394
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            RED
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.531
_refine_diff_density_min         -0.868
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.820
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     621
_refine_ls_number_reflns         12534
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.820
_refine_ls_R_factor_all          0.1537
_refine_ls_R_factor_gt           0.0575
_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)+(0.0490P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1100
_refine_ls_wR_factor_ref         0.1439
_reflns_number_gt                5206
_reflns_number_total             12534
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b707736j.txt
_cod_data_source_block           8
_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        2715.4(4)
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7005981
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
Ru Ru 0.30890(4) 0.20713(3) 0.23812(3) 0.03509(15) Uani 1 1 d . . .
Sn Sn 0.37933(4) 0.08083(3) 0.13049(3) 0.05016(17) Uani 1 1 d . . .
C1 C 0.2492(5) 0.0236(5) 0.0328(4) 0.0566(19) Uani 1 1 d . . .
H1A H 0.2790 -0.0203 -0.0054 0.085 Uiso 1 1 calc R . .
H1B H 0.2216 0.0761 0.0033 0.085 Uiso 1 1 calc R . .
H1C H 0.1903 -0.0099 0.0580 0.085 Uiso 1 1 calc R . .
C2 C 0.5164(6) 0.1235(5) 0.0581(5) 0.083(3) Uani 1 1 d . . .
H2A H 0.5825 0.1385 0.0952 0.125 Uiso 1 1 calc R . .
H2B H 0.4999 0.1795 0.0285 0.125 Uiso 1 1 calc R . .
H2C H 0.5269 0.0713 0.0190 0.125 Uiso 1 1 calc R . .
C3 C 0.4289(7) -0.0485(5) 0.1879(5) 0.078(2) Uani 1 1 d . . .
H3A H 0.4252 -0.1008 0.1459 0.117 Uiso 1 1 calc R . .
H3B H 0.3803 -0.0654 0.2292 0.117 Uiso 1 1 calc R . .
H3C H 0.5030 -0.0366 0.2138 0.117 Uiso 1 1 calc R . .
P1 P 0.48641(14) 0.25278(12) 0.26685(11) 0.0429(4) Uani 1 1 d . . .
O11 O 0.5636(3) 0.1669(3) 0.2820(3) 0.0564(13) Uani 1 1 d . . .
O12 O 0.5324(3) 0.3098(3) 0.1917(3) 0.0603(14) Uani 1 1 d . . .
O13 O 0.5315(4) 0.3161(3) 0.3474(3) 0.0610(13) Uani 1 1 d . . .
C11 C 0.6659(7) 0.1675(7) 0.3280(6) 0.091(3) Uani 1 1 d . . .
H11A H 0.6562 0.1763 0.3868 0.110 Uiso 1 1 calc R . .
H11B H 0.7131 0.2224 0.3137 0.110 Uiso 1 1 calc R . .
C12 C 0.7203(8) 0.0813(7) 0.3146(7) 0.142(5) Uani 1 1 d . . .
H12A H 0.6702 0.0258 0.3204 0.214 Uiso 1 1 calc R . .
H12C H 0.7832 0.0816 0.3550 0.214 Uiso 1 1 calc R . .
H12D H 0.7439 0.0788 0.2595 0.214 Uiso 1 1 calc R . .
C13 C 0.6462(6) 0.3389(6) 0.1833(5) 0.084(3) Uani 1 1 d . . .
H13A H 0.6893 0.2834 0.1865 0.101 Uiso 1 1 calc R . .
H13C H 0.6754 0.3863 0.2279 0.101 Uiso 1 1 calc R . .
C14 C 0.6527(6) 0.3817(6) 0.1004(4) 0.081(3) Uani 1 1 d . . .
H14A H 0.6219 0.3349 0.0568 0.121 Uiso 1 1 calc R . .
H14C H 0.7284 0.3998 0.0929 0.121 Uiso 1 1 calc R . .
H14D H 0.6120 0.4378 0.0986 0.121 Uiso 1 1 calc R . .
C15 C 0.5069(7) 0.4088(6) 0.3655(7) 0.108(3) Uani 1 1 d . . .
H15A H 0.4398 0.4067 0.3932 0.130 Uiso 1 1 calc R . .
H15C H 0.4929 0.4401 0.3137 0.130 Uiso 1 1 calc R . .
C16 C 0.5952(7) 0.4677(7) 0.4192(6) 0.115(4) Uani 1 1 d . . .
H16A H 0.6130 0.4353 0.4691 0.172 Uiso 1 1 calc R . .
H16C H 0.5704 0.5297 0.4337 0.172 Uiso 1 1 calc R . .
H16D H 0.6595 0.4765 0.3897 0.172 Uiso 1 1 calc R . .
N21 N 0.2948(4) 0.0978(3) 0.3189(3) 0.0392(12) Uani 1 1 d . . .
N22 N 0.1490(4) 0.1403(4) 0.2007(3) 0.0363(12) Uani 1 1 d . . .
C21 C 0.3673(5) 0.0815(5) 0.3821(4) 0.0478(17) Uani 1 1 d . . .
H21 H 0.4341 0.1195 0.3894 0.057 Uiso 1 1 calc R . .
C22 C 0.3495(6) 0.0133(5) 0.4359(5) 0.061(2) Uani 1 1 d . . .
H22 H 0.4024 0.0073 0.4802 0.073 Uiso 1 1 calc R . .
C23 C 0.2547(6) -0.0480(5) 0.4269(4) 0.063(2) Uani 1 1 d . . .
H23 H 0.2432 -0.0975 0.4624 0.076 Uiso 1 1 calc R . .
C24 C 0.1789(6) -0.0322(5) 0.3633(4) 0.0554(19) Uani 1 1 d . . .
H24 H 0.1123 -0.0705 0.3564 0.067 Uiso 1 1 calc R . .
C25 C 0.1976(5) 0.0390(4) 0.3087(4) 0.0433(16) Uani 1 1 d . . .
C26 C 0.1172(5) 0.0609(4) 0.2402(4) 0.0390(15) Uani 1 1 d . . .
C27 C 0.0201(5) 0.0068(5) 0.2204(5) 0.062(2) Uani 1 1 d . . .
H27 H -0.0009 -0.0441 0.2522 0.075 Uiso 1 1 calc R . .
C28 C -0.0487(6) 0.0300(6) 0.1498(5) 0.075(2) Uani 1 1 d . . .
H28 H -0.1136 -0.0083 0.1321 0.090 Uiso 1 1 calc R . .
C29 C -0.0181(6) 0.1097(5) 0.1081(5) 0.067(2) Uani 1 1 d . . .
H29 H -0.0623 0.1276 0.0623 0.080 Uiso 1 1 calc R . .
C210 C 0.0796(5) 0.1622(5) 0.1356(5) 0.0559(19) Uani 1 1 d . . .
H210 H 0.0994 0.2167 0.1075 0.067 Uiso 1 1 calc R . .
N31 N 0.2909(4) 0.3246(3) 0.1645(3) 0.0380(12) Uani 1 1 d . . .
N32 N 0.2437(4) 0.3106(3) 0.3206(3) 0.0347(12) Uani 1 1 d . . .
C31 C 0.3158(5) 0.3299(5) 0.0867(5) 0.0568(19) Uani 1 1 d . . .
H31 H 0.3467 0.2773 0.0630 0.068 Uiso 1 1 calc R . .
C32 C 0.2997(6) 0.4069(5) 0.0375(5) 0.064(2) Uani 1 1 d . . .
H32 H 0.3160 0.4063 -0.0177 0.077 Uiso 1 1 calc R . .
C33 C 0.2568(6) 0.4863(6) 0.0772(5) 0.080(3) Uani 1 1 d . . .
H33 H 0.2480 0.5421 0.0488 0.096 Uiso 1 1 calc R . .
C34 C 0.2291(6) 0.4825(5) 0.1540(4) 0.0559(19) Uani 1 1 d . . .
H34 H 0.1961 0.5335 0.1782 0.067 Uiso 1 1 calc R . .
C35 C 0.2489(5) 0.4028(5) 0.1983(4) 0.0431(16) Uani 1 1 d . . .
C36 C 0.2246(4) 0.3957(5) 0.2875(4) 0.0386(15) Uani 1 1 d . . .
C37 C 0.1872(5) 0.4693(5) 0.3345(4) 0.0454(17) Uani 1 1 d . . .
H37 H 0.1757 0.5281 0.3115 0.055 Uiso 1 1 calc R . .
C38 C 0.1669(6) 0.4557(5) 0.4154(5) 0.061(2) Uani 1 1 d . . .
H38 H 0.1417 0.5049 0.4480 0.073 Uiso 1 1 calc R . .
C39 C 0.1845(5) 0.3685(5) 0.4471(4) 0.0545(19) Uani 1 1 d . . .
H39 H 0.1726 0.3576 0.5021 0.065 Uiso 1 1 calc R . .
C310 C 0.2198(5) 0.2972(5) 0.3966(4) 0.0524(18) Uani 1 1 d . . .
H310 H 0.2271 0.2367 0.4174 0.063 Uiso 1 1 calc R . .
B B -0.0902(6) 0.6619(5) 0.2469(5) 0.050(2) Uani 1 1 d . . .
C11B C -0.2156(5) 0.6782(5) 0.2059(4) 0.0461(16) Uani 1 1 d . . .
C12B C -0.3074(6) 0.6156(5) 0.2135(4) 0.058(2) Uani 1 1 d . . .
H12B H -0.2974 0.5593 0.2407 0.070 Uiso 1 1 calc R . .
C13B C -0.4117(7) 0.6319(7) 0.1834(5) 0.082(3) Uani 1 1 d . . .
H13B H -0.4708 0.5877 0.1908 0.098 Uiso 1 1 calc R . .
C14B C -0.4288(7) 0.7131(7) 0.1426(6) 0.085(3) Uani 1 1 d . . .
H14B H -0.4995 0.7241 0.1209 0.102 Uiso 1 1 calc R . .
C15B C -0.3412(8) 0.7793(7) 0.1336(5) 0.079(3) Uani 1 1 d . . .
H15B H -0.3526 0.8363 0.1077 0.095 Uiso 1 1 calc R . .
C16B C -0.2373(6) 0.7601(6) 0.1631(4) 0.064(2) Uani 1 1 d . . .
H16B H -0.1783 0.8037 0.1543 0.076 Uiso 1 1 calc R . .
C21B C -0.0629(6) 0.7288(5) 0.3349(4) 0.0455(17) Uani 1 1 d . . .
C22B C -0.1233(6) 0.8051(5) 0.3586(4) 0.0566(19) Uani 1 1 d . . .
H22B H -0.1830 0.8192 0.3226 0.068 Uiso 1 1 calc R . .
C23B C -0.0984(7) 0.8621(6) 0.4345(6) 0.071(2) Uani 1 1 d . . .
H23B H -0.1407 0.9125 0.4473 0.085 Uiso 1 1 calc R . .
C24B C -0.0133(7) 0.8427(6) 0.4880(5) 0.067(2) Uani 1 1 d . . .
H24B H 0.0029 0.8792 0.5384 0.081 Uiso 1 1 calc R . .
C25B C 0.0489(6) 0.7698(6) 0.4685(5) 0.065(2) Uani 1 1 d . . .
H25B H 0.1088 0.7579 0.5053 0.077 Uiso 1 1 calc R . .
C26B C 0.0255(6) 0.7135(5) 0.3960(5) 0.059(2) Uani 1 1 d . . .
H26B H 0.0688 0.6630 0.3860 0.071 Uiso 1 1 calc R . .
C31B C -0.0851(5) 0.5454(4) 0.2652(4) 0.0439(16) Uani 1 1 d . . .
C32B C -0.1110(5) 0.5087(5) 0.3419(4) 0.0493(17) Uani 1 1 d . . .
H32B H -0.1296 0.5514 0.3836 0.059 Uiso 1 1 calc R . .
C33B C -0.1099(6) 0.4129(5) 0.3569(5) 0.061(2) Uani 1 1 d . . .
H33B H -0.1283 0.3909 0.4077 0.073 Uiso 1 1 calc R . .
C34B C -0.0807(6) 0.3491(5) 0.2952(5) 0.062(2) Uani 1 1 d . . .
H34B H -0.0793 0.2839 0.3049 0.075 Uiso 1 1 calc R . .
C35B C -0.0542(6) 0.3805(5) 0.2209(5) 0.061(2) Uani 1 1 d . . .
H35B H -0.0345 0.3376 0.1797 0.074 Uiso 1 1 calc R . .
C36B C -0.0571(5) 0.4769(5) 0.2081(4) 0.0510(18) Uani 1 1 d . . .
H36B H -0.0389 0.4976 0.1569 0.061 Uiso 1 1 calc R . .
C41B C -0.0021(6) 0.6904(5) 0.1810(4) 0.0512(18) Uani 1 1 d . . .
C42B C 0.1012(7) 0.7373(5) 0.2041(6) 0.075(2) Uani 1 1 d . . .
H42B H 0.1225 0.7568 0.2598 0.090 Uiso 1 1 calc R . .
C43B C 0.1748(8) 0.7558(7) 0.1426(8) 0.102(4) Uani 1 1 d . . .
H43B H 0.2434 0.7879 0.1605 0.123 Uiso 1 1 calc R . .
C44B C 0.1554(11) 0.7328(8) 0.0676(8) 0.117(5) Uani 1 1 d . . .
H44B H 0.2085 0.7467 0.0314 0.141 Uiso 1 1 calc R . .
C45B C 0.0512(9) 0.6848(8) 0.0365(7) 0.109(4) Uani 1 1 d . . .
H45B H 0.0316 0.6660 -0.0195 0.131 Uiso 1 1 calc R . .
C46B C -0.0194(7) 0.6689(6) 0.1001(5) 0.081(3) Uani 1 1 d . . .
H46B H -0.0888 0.6386 0.0818 0.097 Uiso 1 1 calc R . .
O1S O 0.4442(7) 0.8002(7) 0.4687(6) 0.161(3) Uani 1 1 d . . .
C1S C 0.4695(11) 0.7645(9) 0.4023(7) 0.108(4) Uani 1 1 d . . .
C2S C 0.5752(10) 0.7870(10) 0.3768(7) 0.177(6) Uani 1 1 d . . .
H2S1 H 0.5907 0.8559 0.3787 0.265 Uiso 1 1 calc R . .
H2S2 H 0.5776 0.7605 0.3208 0.265 Uiso 1 1 calc R . .
H2S3 H 0.6292 0.7598 0.4135 0.265 Uiso 1 1 calc R . .
C3S C 0.3846(10) 0.7071(9) 0.3479(10) 0.201(7) Uani 1 1 d . . .
H3S1 H 0.4144 0.6506 0.3254 0.302 Uiso 1 1 calc R . .
H3S2 H 0.3589 0.7448 0.3031 0.302 Uiso 1 1 calc R . .
H3S3 H 0.3243 0.6879 0.3791 0.302 Uiso 1 1 calc R . .
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'
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'
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
N21 Ru N31 167.81(19) . . ?
N21 Ru N22 77.38(19) . . ?
N31 Ru N22 94.73(18) . . ?
N21 Ru N32 93.45(19) . . ?
N31 Ru N32 77.26(19) . . ?
N22 Ru N32 91.18(17) . . ?
N21 Ru P1 99.09(14) . . ?
N31 Ru P1 90.23(14) . . ?
N22 Ru P1 169.56(14) . . ?
N32 Ru P1 98.88(12) . . ?
N21 Ru Sn 88.02(13) . . ?
N31 Ru Sn 100.87(14) . . ?
N22 Ru Sn 86.31(13) . . ?
N32 Ru Sn 176.75(13) . . ?
P1 Ru Sn 83.73(5) . . ?
C3 Sn C2 103.8(3) . . ?
C3 Sn C1 103.0(3) . . ?
C2 Sn C1 102.5(3) . . ?
C3 Sn Ru 112.8(2) . . ?
C2 Sn Ru 120.37(19) . . ?
C1 Sn Ru 112.47(17) . . ?
O13 P1 O11 96.5(3) . . ?
O13 P1 O12 105.0(3) . . ?
O11 P1 O12 106.2(2) . . ?
O13 P1 Ru 121.9(2) . . ?
O11 P1 Ru 115.13(17) . . ?
O12 P1 Ru 110.45(17) . . ?
C11 O11 P1 130.0(5) . . ?
C13 O12 P1 126.1(4) . . ?
C15 O13 P1 125.1(6) . . ?
O11 C11 C12 114.0(8) . . ?
O12 C13 C14 108.2(6) . . ?
O13 C15 C16 113.5(8) . . ?
C21 N21 C25 116.8(5) . . ?
C21 N21 Ru 126.7(4) . . ?
C25 N21 Ru 116.4(4) . . ?
C26 N22 C210 116.0(5) . . ?
C26 N22 Ru 116.8(4) . . ?
C210 N22 Ru 126.8(4) . . ?
N21 C21 C22 123.6(6) . . ?
C21 C22 C23 121.3(6) . . ?
C24 C23 C22 116.3(6) . . ?
C23 C24 C25 121.9(6) . . ?
N21 C25 C24 120.0(6) . . ?
N21 C25 C26 115.7(5) . . ?
C24 C25 C26 124.2(6) . . ?
N22 C26 C27 124.0(6) . . ?
N22 C26 C25 113.6(5) . . ?
C27 C26 C25 122.4(6) . . ?
C26 C27 C28 118.2(6) . . ?
C29 C28 C27 118.9(7) . . ?
C210 C29 C28 118.1(7) . . ?
N22 C210 C29 124.5(6) . . ?
C31 N31 C35 116.2(5) . . ?
C31 N31 Ru 126.1(5) . . ?
C35 N31 Ru 117.6(4) . . ?
C310 N32 C36 118.9(6) . . ?
C310 N32 Ru 126.2(5) . . ?
C36 N32 Ru 114.9(4) . . ?
N31 C31 C32 125.6(7) . . ?
C31 C32 C33 115.1(7) . . ?
C34 C33 C32 120.7(7) . . ?
C33 C34 C35 119.9(7) . . ?
N31 C35 C34 122.3(6) . . ?
N31 C35 C36 114.9(5) . . ?
C34 C35 C36 122.8(6) . . ?
N32 C36 C37 120.8(6) . . ?
N32 C36 C35 115.2(6) . . ?
C37 C36 C35 123.9(6) . . ?
C38 C37 C36 119.6(6) . . ?
C39 C38 C37 118.7(7) . . ?
C38 C39 C310 118.9(6) . . ?
N32 C310 C39 122.8(6) . . ?
C41B B C21B 111.0(6) . . ?
C41B B C11B 109.4(6) . . ?
C21B B C11B 109.1(6) . . ?
C41B B C31B 108.7(6) . . ?
C21B B C31B 109.9(5) . . ?
C11B B C31B 108.7(5) . . ?
C12B C11B C16B 114.6(6) . . ?
C12B C11B B 123.8(6) . . ?
C16B C11B B 121.5(6) . . ?
C13B C12B C11B 123.7(7) . . ?
C14B C13B C12B 119.5(8) . . ?
C13B C14B C15B 119.9(8) . . ?
C16B C15B C14B 119.1(8) . . ?
C15B C16B C11B 123.0(8) . . ?
C22B C21B C26B 112.8(6) . . ?
C22B C21B B 124.2(6) . . ?
C26B C21B B 122.9(7) . . ?
C21B C22B C23B 123.4(7) . . ?
C24B C23B C22B 119.5(8) . . ?
C23B C24B C25B 119.9(8) . . ?
C24B C25B C26B 121.4(8) . . ?
C25B C26B C21B 122.9(7) . . ?
C36B C31B C32B 114.3(6) . . ?
C36B C31B B 123.7(6) . . ?
C32B C31B B 122.0(6) . . ?
C33B C32B C31B 122.6(7) . . ?
C32B C33B C34B 118.9(7) . . ?
C35B C34B C33B 121.0(7) . . ?
C34B C35B C36B 118.3(7) . . ?
C35B C36B C31B 125.0(7) . . ?
C46B C41B C42B 112.4(7) . . ?
C46B C41B B 124.0(7) . . ?
C42B C41B B 123.6(7) . . ?
C41B C42B C43B 119.8(9) . . ?
C44B C43B C42B 125.4(11) . . ?
C43B C44B C45B 119.8(11) . . ?
C46B C45B C44B 112.6(10) . . ?
C41B C46B C45B 130.0(9) . . ?
O1S C1S C2S 120.4(12) . . ?
O1S C1S C3S 118.1(12) . . ?
C2S C1S C3S 121.2(12) . . ?
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
Ru N21 2.062(5) . ?
Ru N31 2.085(5) . ?
Ru N22 2.114(4) . ?
Ru N32 2.157(5) . ?
Ru P1 2.2101(17) . ?
Ru Sn 2.6521(7) . ?
Sn C3 2.171(7) . ?
Sn C2 2.192(7) . ?
Sn C1 2.198(5) . ?
P1 O13 1.558(5) . ?
P1 O11 1.597(5) . ?
P1 O12 1.604(4) . ?
O11 C11 1.393(8) . ?
O12 C13 1.438(7) . ?
O13 C15 1.370(9) . ?
C11 C12 1.433(11) . ?
C13 C14 1.498(9) . ?
C15 C16 1.480(10) . ?
N21 C21 1.329(7) . ?
N21 C25 1.378(7) . ?
N22 C26 1.352(7) . ?
N22 C210 1.352(7) . ?
C21 C22 1.337(8) . ?
C22 C23 1.373(8) . ?
C23 C24 1.356(8) . ?
C24 C25 1.380(8) . ?
C25 C26 1.471(8) . ?
C26 C27 1.354(8) . ?
C27 C28 1.419(9) . ?
C28 C29 1.372(9) . ?
C29 C210 1.371(8) . ?
N31 C31 1.323(7) . ?
N31 C35 1.350(7) . ?
N32 C310 1.306(7) . ?
N32 C36 1.353(7) . ?
C31 C32 1.382(8) . ?
C32 C33 1.409(10) . ?
C33 C34 1.317(9) . ?
C34 C35 1.377(8) . ?
C35 C36 1.502(8) . ?
C36 C37 1.374(8) . ?
C37 C38 1.371(8) . ?
C38 C39 1.367(9) . ?
C39 C310 1.372(9) . ?
B C41B 1.625(10) . ?
B C21B 1.645(10) . ?
B C11B 1.650(10) . ?
B C31B 1.667(9) . ?
C11B C12B 1.382(8) . ?
C11B C16B 1.394(9) . ?
C12B C13B 1.363(10) . ?
C13B C14B 1.359(11) . ?
C14B C15B 1.377(11) . ?
C15B C16B 1.368(9) . ?
C21B C22B 1.398(9) . ?
C21B C26B 1.430(9) . ?
C22B C23B 1.416(9) . ?
C23B C24B 1.342(10) . ?
C24B C25B 1.358(10) . ?
C25B C26B 1.364(9) . ?
C31B C36B 1.374(8) . ?
C31B C32B 1.416(8) . ?
C32B C33B 1.368(8) . ?
C33B C34B 1.389(9) . ?
C34B C35B 1.355(9) . ?
C35B C36B 1.371(9) . ?
C41B C46B 1.316(9) . ?
C41B C42B 1.382(9) . ?
C42B C43B 1.420(11) . ?
C43B C44B 1.230(13) . ?
C44B C45B 1.423(13) . ?
C45B C46B 1.416(11) . ?
O1S C1S 1.232(11) . ?
C1S C2S 1.409(13) . ?
C1S C3S 1.450(14) . ?
