#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:59:01 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178631 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/42/4074283.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_4074283
loop_
_publ_author_name
'Kašná, Blanka'
'Jambor, Roman'
'Dostál, Libor'
'Císařová, Ivana'
'Holeček, Jaroslav'
'Štíbr, Bohumil'
_publ_section_title
;
 Stabilization of Triaryltin(IV) Cations Containing an O,C,O-Coordinating
 Pincer-Type Ligand. Isolation of a New [Ag(1-CB11H12)3]2-Anion
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              5139
_journal_paper_doi               10.1021/om060516c
_journal_volume                  25
_journal_year                    2006
_chemical_compound_source        'synthesized by the authors'
_chemical_formula_moiety         'C3 H36 Ag B33, 2(C22 H23 O2 Sn)'
_chemical_formula_sum            'C47 H82 Ag B33 O4 Sn2'
_chemical_formula_weight         1413.11
_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                 104.4030(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.64400(10)
_cell_length_b                   20.5290(2)
_cell_length_c                   22.6440(2)
_cell_measurement_reflns_used    45461
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     6593.44(10)
_computing_cell_refinement       'COLLECT and DENZO'
_computing_data_collection
'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'COLLECT and DENZO'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      180(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius KappaCCD area detector'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_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  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            60566
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.42
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.087
_exptl_absorpt_correction_T_max  0.807
_exptl_absorpt_correction_T_min  0.726
_exptl_absorpt_correction_type   multiscans
_exptl_absorpt_process_details   '(SORTAV; Blessing 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2832
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.673
_refine_diff_density_min         -1.587
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         7540
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0285
_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)+(0.0357P)²+10.0854P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0757
_reflns_number_gt                6680
_reflns_number_total             7540
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om060516csi20060613_035908.cif
_cod_data_source_block           2-sn-1-jambor-sort
_cod_original_cell_volume        6593.43(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4074283
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
Ag1 Ag 0.5000 0.100752(14) 0.2500 0.05464(9) Uani 1 2 d S
C1 C 0.38405(17) -0.02869(11) 0.42634(10) 0.0369(5) Uani 1 1 d .
H1 H 0.3862 -0.0443 0.4731 0.044 Uiso 1 1 calc R
B2 B 0.3949(2) -0.08744(12) 0.37516(13) 0.0409(6) Uani 1 1 d .
H2 H 0.4038 -0.1398 0.3854 0.049 Uiso 1 1 calc R
B3 B 0.4867(2) -0.03135(13) 0.40374(13) 0.0399(6) Uani 1 1 d .
H3 H 0.5551 -0.0476 0.4323 0.048 Uiso 1 1 calc R
B4 B 0.43462(19) 0.04401(12) 0.41724(11) 0.0351(5) Uani 1 1 d .
H4 H 0.4697 0.0765 0.4547 0.042 Uiso 1 1 calc R
B5 B 0.31038(18) 0.03402(11) 0.39684(11) 0.0316(5) Uani 1 1 d .
H5 H 0.2649 0.0598 0.4212 0.038 Uiso 1 1 calc R
B6 B 0.2855(2) -0.04677(12) 0.37011(13) 0.0372(5) Uani 1 1 d .
H6 H 0.2235 -0.0731 0.3770 0.045 Uiso 1 1 calc R
B7 B 0.4520(2) -0.04753(13) 0.32492(13) 0.0422(6) Uani 1 1 d .
H7 H 0.4981 -0.0739 0.3015 0.051 Uiso 1 1 calc R
B8 B 0.47624(19) 0.03397(13) 0.35123(12) 0.0379(6) Uani 1 1 d .
H8 H 0.5383 0.0605 0.3449 0.045 Uiso 1 1 calc R
B9 B 0.36687(18) 0.07461(12) 0.34695(11) 0.0318(5) Uani 1 1 d .
H9 H 0.3578 0.1272 0.3380 0.038 Uiso 1 1 calc R
B10 B 0.27426(19) 0.01792(12) 0.31725(11) 0.0346(5) Uani 1 1 d .
H10 H 0.2054 0.0337 0.2890 0.042 Uiso 1 1 calc R
B11 B 0.3268(2) -0.05759(13) 0.30365(13) 0.0412(6) Uani 1 1 d .
H11 H 0.2919 -0.0906 0.2666 0.049 Uiso 1 1 calc R
B12 B 0.3777(2) 0.01754(13) 0.28956(12) 0.0395(6) Uani 1 1 d .
H12 H 0.3758 0.0334 0.2429 0.047 Uiso 1 1 calc R
C1' C 0.4309(12) 0.3596(7) 0.2440(3) 0.0297(10) Uani 0.50 1 d P
H1' H 0.3986 0.4051 0.2389 0.036 Uiso 0.50 1 d PR
B2' B 0.5503(14) 0.3702(9) 0.2561(4) 0.0297(10) Uani 0.50 1 d P
H2' H 0.5832 0.4187 0.2605 0.036 Uiso 0.50 1 d PR
B3' B 0.4900(2) 0.34145(12) 0.18541(11) 0.0372(6) Uani 1 1 d .
H3' H 0.4835 0.3726 0.1451 0.045 Uiso 1 1 d R
B4' B 0.39282(19) 0.29838(12) 0.19947(11) 0.0350(5) Uani 1 1 d .
H4' H 0.3242 0.2989 0.1658 0.042 Uiso 1 1 d R
B5' B 0.4057(2) 0.29850(14) 0.28010(11) 0.0383(6) Uani 1 1 d .
H5' H 0.3450 0.2989 0.3006 0.046 Uiso 1 1 d R
B7' B 0.48995(18) 0.25533(12) 0.18461(10) 0.0323(5) Uani 1 1 d .
H7' H 0.4836 0.2273 0.1424 0.039 Uiso 1 1 d R
B8' B 0.43767(19) 0.22884(12) 0.24377(11) 0.0340(5) Uani 1 1 d .
H8' H 0.3970 0.1833 0.2398 0.041 Uiso 1 1 calc R
Sn1 Sn 0.040094(10) 0.163250(6) 0.437979(6) 0.02861(6) Uani 1 1 d .
C11 C 0.12587(15) 0.10472(10) 0.50455(9) 0.0294(4) Uani 1 1 d .
C12 C 0.12807(15) 0.03770(10) 0.49535(10) 0.0328(4) Uani 1 1 d .
C13 C 0.18329(18) -0.00103(11) 0.54104(13) 0.0454(6) Uani 1 1 d .
H13A H 0.1857 -0.0458 0.5356 0.054 Uiso 1 1 calc R
C14 C 0.2343(2) 0.02692(14) 0.59425(14) 0.0539(7) Uani 1 1 d .
H14A H 0.2714 0.0007 0.6243 0.065 Uiso 1 1 calc R
C15 C 0.23160(19) 0.09377(13) 0.60393(12) 0.0482(6) Uani 1 1 d .
H15A H 0.2657 0.1120 0.6403 0.058 Uiso 1 1 calc R
C16 C 0.17721(16) 0.13284(11) 0.55840(10) 0.0350(5) Uani 1 1 d .
C17 C 0.07095(17) 0.00870(10) 0.43665(11) 0.0381(5) Uani 1 1 d .
H17A H 0.1122 -0.0143 0.4163 0.046 Uiso 1 1 calc R
H17B H 0.0258 -0.0222 0.4452 0.046 Uiso 1 1 calc R
C18 C -0.0309(2) 0.03699(14) 0.33917(12) 0.0563(7) Uani 1 1 d .
H18A H 0.0105 0.0150 0.3189 0.084 Uiso 1 1 calc R
H18B H -0.0595 0.0735 0.3151 0.084 Uiso 1 1 calc R
H18C H -0.0792 0.0075 0.3444 0.084 Uiso 1 1 calc R
C19 C 0.17221(19) 0.20555(11) 0.56683(10) 0.0415(5) Uani 1 1 d .
H19A H 0.1461 0.2149 0.6013 0.050 Uiso 1 1 calc R
H19B H 0.2351 0.2240 0.5751 0.050 Uiso 1 1 calc R
C110 C 0.0967(2) 0.30258(11) 0.51885(13) 0.0549(7) Uani 1 1 d .
H11A H 0.0680 0.3091 0.5522 0.082 Uiso 1 1 calc R
H11B H 0.0552 0.3183 0.4819 0.082 Uiso 1 1 calc R
H11C H 0.1552 0.3260 0.5266 0.082 Uiso 1 1 calc R
C21 C 0.08466(15) 0.20464(10) 0.36434(9) 0.0293(4) Uani 1 1 d .
C22 C 0.13746(17) 0.16684(10) 0.33394(10) 0.0363(5) Uani 1 1 d .
H22A H 0.1511 0.1238 0.3456 0.044 Uiso 1 1 calc R
C23 C 0.16996(18) 0.19277(13) 0.28638(11) 0.0421(5) Uani 1 1 d .
H23A H 0.2044 0.1669 0.2660 0.051 Uiso 1 1 calc R
C24 C 0.15115(17) 0.25674(12) 0.26935(11) 0.0417(5) Uani 1 1 d .
H24A H 0.1733 0.2742 0.2376 0.050 Uiso 1 1 calc R
C25 C 0.09984(17) 0.29467(11) 0.29911(11) 0.0414(5) Uani 1 1 d .
H25A H 0.0878 0.3379 0.2876 0.050 Uiso 1 1 calc R
C26 C 0.06559(16) 0.26911(11) 0.34638(11) 0.0366(5) Uani 1 1 d .
H26A H 0.0300 0.2951 0.3659 0.044 Uiso 1 1 calc R
C31 C -0.09867(16) 0.17427(10) 0.44775(10) 0.0301(4) Uani 1 1 d .
C32 C -0.11400(17) 0.17394(10) 0.50608(10) 0.0360(5) Uani 1 1 d .
H32 H -0.0628 0.1756 0.5399 0.043 Uiso 1 1 calc R
C33 C -0.2043(2) 0.17111(11) 0.51431(13) 0.0447(6) Uani 1 1 d .
H33 H -0.2137 0.1717 0.5535 0.054 Uiso 1 1 calc R
C34 C -0.28064(19) 0.16735(11) 0.46438(14) 0.0490(7) Uani 1 1 d .
H34 H -0.3413 0.1641 0.4699 0.059 Uiso 1 1 calc R
C35 C -0.26706(19) 0.16847(12) 0.40650(13) 0.0484(6) Uani 1 1 d .
H35 H -0.3188 0.1667 0.3730 0.058 Uiso 1 1 calc R
C36 C -0.17687(18) 0.17221(12) 0.39761(11) 0.0408(5) Uani 1 1 d .
H36 H -0.1684 0.1733 0.3583 0.049 Uiso 1 1 calc R
O1 O 0.02222(13) 0.05950(7) 0.39795(7) 0.0420(4) Uani 1 1 d .
O2 O 0.11406(13) 0.23424(7) 0.51272(7) 0.0408(4) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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
B4 C1 B3 63.19(15) . .
B4 C1 B5 62.77(14) . .
B3 C1 B5 115.20(18) . .
B4 C1 B2 114.88(18) . .
B3 C1 B2 62.33(16) . .
B5 C1 B2 115.10(18) . .
B4 C1 B6 114.35(17) . .
B3 C1 B6 114.42(18) . .
B5 C1 B6 62.49(14) . .
B2 C1 B6 62.98(16) . .
B4 C1 H1 117.6 . .
B3 C1 H1 117.6 . .
B5 C1 H1 117.4 . .
B2 C1 H1 117.6 . .
B6 C1 H1 118.0 . .
C1 B2 B3 58.78(15) . .
C1 B2 B7 104.35(18) . .
B3 B2 B7 59.74(16) . .
C1 B2 B6 58.62(14) . .
B3 B2 B6 107.94(18) . .
B7 B2 B6 107.57(19) . .
C1 B2 B11 104.33(18) . .
B3 B2 B11 108.13(19) . .
B7 B2 B11 60.34(16) . .
B6 B2 B11 59.42(16) . .
C1 B2 H2 125.0 . .
B3 B2 H2 121.4 . .
B7 B2 H2 122.5 . .
B6 B2 H2 121.8 . .
B11 B2 H2 122.4 . .
C1 B3 B7 104.8(2) . .
C1 B3 B2 58.89(15) . .
B7 B3 B2 60.27(16) . .
C1 B3 B8 103.96(18) . .
B7 B3 B8 60.55(16) . .
B2 B3 B8 108.4(2) . .
C1 B3 B4 58.29(14) . .
B7 B3 B4 108.00(19) . .
B2 B3 B4 108.01(19) . .
B8 B3 B4 59.34(14) . .
C1 B3 H3 125.1 . .
B7 B3 H3 122.0 . .
B2 B3 H3 121.1 . .
B8 B3 H3 122.5 . .
B4 B3 H3 121.8 . .
C1 B4 B8 104.66(18) . .
C1 B4 B9 104.88(18) . .
B8 B4 B9 60.84(14) . .
C1 B4 B5 58.73(14) . .
B8 B4 B5 108.33(18) . .
B9 B4 B5 59.82(14) . .
C1 B4 B3 58.52(14) . .
B8 B4 B3 60.01(15) . .
B9 B4 B3 108.77(18) . .
B5 B4 B3 108.04(19) . .
C1 B4 H4 124.9 . .
B8 B4 H4 122.1 . .
B9 B4 H4 121.9 . .
B5 B4 H4 121.5 . .
B3 B4 H4 121.3 . .
C1 B5 B9 104.79(17) . .
C1 B5 B6 58.92(14) . .
B9 B5 B6 108.21(17) . .
C1 B5 B4 58.50(14) . .
B9 B5 B4 59.93(14) . .
B6 B5 B4 107.93(17) . .
C1 B5 B10 104.85(16) . .
B9 B5 B10 60.54(14) . .
B6 B5 B10 59.72(14) . .
B4 B5 B10 108.22(17) . .
C1 B5 H5 124.7 . .
B9 B5 H5 122.1 . .
B6 B5 H5 121.5 . .
B4 B5 H5 121.6 . .
B10 B5 H5 122.2 . .
C1 B6 B10 105.06(18) . .
C1 B6 B11 104.84(19) . .
B10 B6 B11 60.82(15) . .
C1 B6 B5 58.59(14) . .
B10 B6 B5 60.31(13) . .
B11 B6 B5 108.84(18) . .
C1 B6 B2 58.40(15) . .
B10 B6 B2 108.98(19) . .
B11 B6 B2 60.30(16) . .
B5 B6 B2 108.08(19) . .
C1 B6 H6 125.0 . .
B10 B6 H6 121.6 . .
B11 B6 H6 121.8 . .
B5 B6 H6 121.3 . .
B2 B6 H6 121.3 . .
B3 B7 B2 59.99(16) . .
B3 B7 B8 60.05(15) . .
B2 B7 B8 107.84(18) . .
B3 B7 B12 107.69(18) . .
B2 B7 B12 107.61(19) . .
B8 B7 B12 59.67(15) . .
B3 B7 B11 108.25(19) . .
B2 B7 B11 60.25(17) . .
B8 B7 B11 107.72(18) . .
B12 B7 B11 59.66(16) . .
B3 B7 H7 121.6 . .
B2 B7 H7 121.8 . .
B8 B7 H7 121.9 . .
B12 B7 H7 122.2 . .
B11 B7 H7 121.7 . .
B4 B8 B12 107.74(19) . .
B4 B8 B3 60.65(15) . .
B12 B8 B3 107.6(2) . .
B4 B8 B7 108.14(18) . .
B12 B8 B7 60.17(16) . .
B3 B8 B7 59.40(15) . .
B4 B8 B9 59.77(14) . .
B12 B8 B9 60.20(15) . .
B3 B8 B9 108.43(18) . .
B7 B8 B9 108.58(19) . .
B4 B8 H8 121.7 . .
B12 B8 H8 121.9 . .
B3 B8 H8 121.8 . .
B7 B8 H8 121.6 . .
B9 B8 H8 121.4 . .
B5 B9 B4 60.26(14) . .
B5 B9 B12 107.24(17) . .
B4 B9 B12 106.90(17) . .
B5 B9 B10 60.07(14) . .
B4 B9 B10 108.11(17) . .
B12 B9 B10 59.67(15) . .
B5 B9 B8 107.53(17) . .
B4 B9 B8 59.39(14) . .
B12 B9 B8 59.52(15) . .
B10 B9 B8 107.61(17) . .
B5 B9 H9 121.8 . .
B4 B9 H9 122.0 . .
B12 B9 H9 122.5 . .
B10 B9 H9 121.6 . .
B8 B9 H9 122.2 . .
B6 B10 B12 106.97(18) . .
B6 B10 B5 59.96(14) . .
B12 B10 B5 107.07(18) . .
B6 B10 B9 107.49(18) . .
B12 B10 B9 60.13(14) . .
B5 B10 B9 59.39(14) . .
B6 B10 B11 59.65(14) . .
B12 B10 B11 59.70(15) . .
B5 B10 B11 107.64(18) . .
B9 B10 B11 108.07(19) . .
B6 B10 H10 122.2 . .
B12 B10 H10 122.3 . .
B5 B10 H10 122.2 . .
B9 B10 H10 121.8 . .
B11 B10 H10 121.8 . .
B6 B11 B12 106.93(17) . .
B6 B11 B2 60.29(15) . .
B12 B11 B2 107.2(2) . .
B6 B11 B7 107.5(2) . .
B12 B11 B7 60.02(16) . .
B2 B11 B7 59.41(16) . .
B6 B11 B10 59.53(14) . .
B12 B11 B10 59.77(15) . .
B2 B11 B10 107.95(18) . .
B7 B11 B10 108.02(19) . .
B6 B11 H11 122.2 . .
B12 B11 H11 122.3 . .
B2 B11 H11 121.9 . .
B7 B11 H11 121.9 . .
B10 B11 H11 121.7 . .
B8 B12 B11 108.63(19) . .
B8 B12 B10 108.64(17) . .
B11 B12 B10 60.53(15) . .
B8 B12 B7 60.16(16) . .
B11 B12 B7 60.32(16) . .
B10 B12 B7 108.87(18) . .
B8 B12 B9 60.28(15) . .
B11 B12 B9 108.79(18) . .
B10 B12 B9 60.20(14) . .
B7 B12 B9 108.64(18) . .
B8 B12 H12 121.4 . .
B11 B12 H12 121.2 . .
B10 B12 H12 121.2 . .
B7 B12 H12 121.3 . .
B9 B12 H12 121.3 . .
B2' C1' B5' 141(6) 2_655 .
B2' C1' B4' 129(6) 2_655 .
B5' C1' B4' 67.7(4) . .
B5' C1' B2' 112.1(15) . .
B4' C1' B2' 112.1(15) . .
B2' C1' B3' 78(4) 2_655 2_655
B5' C1' B3' 63.4(4) . 2_655
B4' C1' B3' 116.5(10) . 2_655
B2' C1' B3' 57.9(8) . 2_655
B2' C1' B3' 67(5) 2_655 .
B5' C1' B3' 115.6(11) . .
B4' C1' B3' 62.2(5) . .
B2' C1' B3' 58.9(6) . .
B3' C1' B3' 107.3(11) 2_655 .
B5' C1' C1' 106.9(7) . 2_655
B4' C1' C1' 105.5(8) . 2_655
B3' C1' C1' 57.0(4) 2_655 2_655
B3' C1' C1' 55.6(6) . 2_655
B2' C1' H1' 77.1 2_655 .
B5' C1' H1' 127.6 . .
B4' C1' H1' 123.4 . .
B2' C1' H1' 108.6 . .
B3' C1' H1' 118.0 2_655 .
B3' C1' H1' 113.1 . .
C1' B2' B2' 140(8) 2_655 2_655
C1' B2' B3' 102(5) 2_655 2_655
B2' B2' B3' 66.8(10) 2_655 2_655
B3' B2' C1' 62.5(9) 2_655 .
C1' B2' B3' 90(4) 2_655 .
B2' B2' B3' 63.7(6) 2_655 .
B3' B2' B3' 114.2(15) 2_655 .
C1' B2' B3' 62.8(10) . .
B2' B2' B4' 113.9(10) 2_655 2_655
B3' B2' B4' 59.6(5) 2_655 2_655
C1' B2' B4' 106.7(17) . 2_655
B3' B2' B4' 106.7(9) . 2_655
B2' B2' B5' 111.5(7) 2_655 2_655
B3' B2' B5' 107.1(10) 2_655 2_655
C1' B2' B5' 106.2(17) . 2_655
B3' B2' B5' 58.6(4) . 2_655
B4' B2' B5' 57.2(3) 2_655 2_655
C1' B2' H2' 103.6 2_655 .
B2' B2' H2' 115.1 2_655 .
B3' B2' H2' 118.5 2_655 .
C1' B2' H2' 122.4 . .
B3' B2' H2' 120.3 . .
B4' B2' H2' 122.7 2_655 .
B5' B2' H2' 124.0 2_655 .
B2' B3' C1' 59.6(4) 2_655 2_655
B2' B3' B7' 111.1(5) 2_655 .
B2' B3' B7' 110.5(5) . .
C1' B3' B7' 102.6(5) 2_655 .
B2' B3' B5' 105.1(7) 2_655 2_655
B2' B3' B5' 64.9(2) . 2_655
C1' B3' B5' 53.5(2) 2_655 2_655
B7' B3' B5' 60.27(15) . 2_655
B2' B3' B4' 65.2(2) 2_655 .
B2' B3' B4' 104.6(8) . .
C1' B3' B4' 108.6(7) 2_655 .
B7' B3' B4' 60.27(14) . .
B5' B3' B4' 108.45(17) 2_655 .
B2' B3' C1' 58.2(5) . .
C1' B3' C1' 67.4(8) 2_655 .
B7' B3' C1' 102.5(4) . .
B5' B3' C1' 107.4(6) 2_655 .
B4' B3' C1' 54.1(2) . .
B2' B3' H3' 118.3 2_655 .
B2' B3' H3' 119.3 . .
C1' B3' H3' 122.1 2_655 .
B7' B3' H3' 125.0 . .
B5' B3' H3' 122.9 2_655 .
B4' B3' H3' 122.2 . .
C1' B3' H3' 122.4 . .
C1' B4' B3' 63.7(5) . .
C1' B4' B8' 104.5(5) . .
B3' B4' B8' 107.61(18) . .
C1' B4' B7' 109.6(7) . .
B3' B4' B7' 59.81(15) . .
B8' B4' B7' 60.37(14) . .
C1' B4' B5' 55.3(3) . .
B3' B4' B5' 107.32(18) . .
B8' B4' B5' 59.59(14) . .
B7' B4' B5' 107.96(17) . .
B3' B4' B2' 55.2(5) . 2_655
B8' B4' B2' 106.2(6) . 2_655
B7' B4' B2' 103.0(8) . 2_655
B5' B4' B2' 61.8(3) . 2_655
C1' B4' H4' 122.5 . .
B3' B4' H4' 120.5 . .
B8' B4' H4' 123.1 . .
B7' B4' H4' 120.7 . .
B5' B4' H4' 123.6 . .
B2' B4' H4' 125.2 2_655 .
C1' B5' B3' 63.1(4) . 2_655
C1' B5' B8' 106.1(7) . .
B3' B5' B8' 107.96(19) 2_655 .
C1' B5' B7' 109.9(7) . 2_655
B3' B5' B7' 59.84(14) 2_655 2_655
B8' B5' B7' 60.54(14) . 2_655
C1' B5' B4' 57.0(4) . .
B3' B5' B4' 108.14(19) 2_655 .
B8' B5' B4' 59.81(14) . .
B7' B5' B4' 108.60(18) 2_655 .
B3' B5' B2' 56.5(4) 2_655 2_655
B8' B5' B2' 105.8(7) . 2_655
B7' B5' B2' 103.7(8) 2_655 2_655
B4' B5' B2' 61.0(3) . 2_655
C1' B5' H5' 121.7 . .
B3' B5' H5' 120.6 2_655 .
B8' B5' H5' 122.5 . .
B7' B5' H5' 120.6 2_655 .
B4' B5' H5' 122.7 . .
B2' B5' H5' 125.4 2_655 .
B3' B7' B5' 59.89(15) . 2_655
B3' B7' B4' 59.92(15) . .
B5' B7' B4' 107.86(17) 2_655 .
B3' B7' B8' 107.22(17) . .
B5' B7' B8' 107.23(16) 2_655 .
B4' B7' B8' 59.76(14) . .
B3' B7' B8' 107.24(17) . 2_655
B5' B7' B8' 59.58(14) 2_655 2_655
B4' B7' B8' 107.56(17) . 2_655
B8' B7' B8' 59.64(17) . 2_655
B3' B7' H7' 122.1 . .
B5' B7' H7' 122.0 2_655 .
B4' B7' H7' 121.7 . .
B8' B7' H7' 122.3 . .
B8' B7' H7' 122.2 2_655 .
B5' B8' B4' 60.60(14) . .
B5' B8' B8' 107.86(15) . 2_655
B4' B8' B8' 108.12(16) . 2_655
B5' B8' B7' 108.37(17) . .
B4' B8' B7' 59.87(14) . .
B8' B8' B7' 60.24(16) 2_655 .
B5' B8' B7' 59.89(14) . 2_655
B4' B8' B7' 108.71(17) . 2_655
B8' B8' B7' 60.12(15) 2_655 2_655
B7' B8' B7' 108.66(17) . 2_655
B5' B8' H8' 121.6 . .
B4' B8' H8' 121.4 . .
B8' B8' H8' 121.8 2_655 .
B7' B8' H8' 121.4 . .
B7' B8' H8' 121.3 2_655 .
C11 Sn1 C31 114.10(8) . .
C11 Sn1 C21 123.57(8) . .
C31 Sn1 C21 122.26(8) . .
C11 Sn1 O2 75.14(7) . .
C31 Sn1 O2 98.34(7) . .
C21 Sn1 O2 98.34(7) . .
C11 Sn1 O1 74.98(7) . .
C31 Sn1 O1 97.02(7) . .
C21 Sn1 O1 95.07(7) . .
O2 Sn1 O1 149.90(6) . .
C16 C11 C12 120.9(2) . .
C16 C11 Sn1 119.48(15) . .
C12 C11 Sn1 119.54(16) . .
C11 C12 C13 118.9(2) . .
C11 C12 C17 119.60(19) . .
C13 C12 C17 121.5(2) . .
C14 C13 C12 120.1(2) . .
C14 C13 H13A 120.0 . .
C12 C13 H13A 120.0 . .
C13 C14 C15 121.2(2) . .
C13 C14 H14A 119.4 . .
C15 C14 H14A 119.4 . .
C16 C15 C14 119.1(2) . .
C16 C15 H15A 120.5 . .
C14 C15 H15A 120.5 . .
C11 C16 C15 119.8(2) . .
C11 C16 C19 119.31(19) . .
C15 C16 C19 120.9(2) . .
O1 C17 C12 109.55(16) . .
O1 C17 H17A 109.8 . .
C12 C17 H17A 109.8 . .
O1 C17 H17B 109.8 . .
C12 C17 H17B 109.8 . .
H17A C17 H17B 108.2 . .
O1 C18 H18A 109.5 . .
O1 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
O1 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O2 C19 C16 109.61(17) . .
O2 C19 H19A 109.7 . .
C16 C19 H19A 109.7 . .
O2 C19 H19B 109.7 . .
C16 C19 H19B 109.7 . .
H19A C19 H19B 108.2 . .
O2 C110 H11A 109.5 . .
O2 C110 H11B 109.5 . .
H11A C110 H11B 109.5 . .
O2 C110 H11C 109.5 . .
H11A C110 H11C 109.5 . .
H11B C110 H11C 109.5 . .
C26 C21 C22 118.8(2) . .
C26 C21 Sn1 122.25(16) . .
C22 C21 Sn1 118.96(15) . .
C23 C22 C21 120.7(2) . .
C23 C22 H22A 119.7 . .
C21 C22 H22A 119.7 . .
C24 C23 C22 120.0(2) . .
C24 C23 H23A 120.0 . .
C22 C23 H23A 120.0 . .
C25 C24 C23 120.0(2) . .
C25 C24 H24A 120.0 . .
C23 C24 H24A 120.0 . .
C24 C25 C26 120.7(2) . .
C24 C25 H25A 119.7 . .
C26 C25 H25A 119.7 . .
C21 C26 C25 119.9(2) . .
C21 C26 H26A 120.1 . .
C25 C26 H26A 120.1 . .
C32 C31 C36 118.5(2) . .
C32 C31 Sn1 119.02(16) . .
C36 C31 Sn1 121.80(17) . .
C33 C32 C31 120.9(2) . .
C33 C32 H32 119.6 . .
C31 C32 H32 119.6 . .
C34 C33 C32 119.9(2) . .
C34 C33 H33 120.0 . .
C32 C33 H33 120.0 . .
C35 C34 C33 120.1(2) . .
C35 C34 H34 120.0 . .
C33 C34 H34 120.0 . .
C34 C35 C36 120.6(2) . .
C34 C35 H35 119.7 . .
C36 C35 H35 119.7 . .
C35 C36 C31 120.1(2) . .
C35 C36 H36 120.0 . .
C31 C36 H36 120.0 . .
C17 O1 C18 113.82(18) . .
C17 O1 Sn1 116.21(12) . .
C18 O1 Sn1 129.97(16) . .
C19 O2 C110 113.58(17) . .
C19 O2 Sn1 116.18(12) . .
C110 O2 Sn1 128.98(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 B4 1.701(3) .
C1 B3 1.705(4) .
C1 B5 1.706(3) .
C1 B2 1.707(3) .
C1 B6 1.711(4) .
C1 H1 1.1000 .
B2 B3 1.766(4) .
B2 B7 1.771(4) .
B2 B6 1.786(4) .
B2 B11 1.786(4) .
B2 H2 1.1000 .
B3 B7 1.762(4) .
B3 B8 1.773(4) .
B3 B4 1.785(4) .
B3 H3 1.1000 .
B4 B8 1.761(4) .
B4 B9 1.768(3) .
B4 B5 1.774(4) .
B4 H4 1.1000 .
B5 B9 1.766(3) .
B5 B6 1.772(3) .
B5 B10 1.778(3) .
B5 H5 1.1000 .
B6 B10 1.768(4) .
B6 B11 1.770(4) .
B6 H6 1.1000 .
B7 B8 1.782(4) .
B7 B12 1.782(4) .
B7 B11 1.788(4) .
B7 H7 1.1000 .
B8 B12 1.773(4) .
B8 B9 1.787(4) .
B8 H8 1.1000 .
B9 B12 1.786(3) .
B9 B10 1.787(4) .
B9 H9 1.1000 .
B10 B12 1.777(4) .
B10 B11 1.791(4) .
B10 H10 1.1000 .
B11 B12 1.776(4) .
B11 H11 1.1000 .
B12 H12 1.1000 .
C1' B2' 0.353(13) 2_655
C1' B5' 1.590(8) .
C1' B4' 1.621(10) .
C1' B2' 1.715(10) .
C1' B3' 1.765(12) 2_655
C1' B3' 1.795(16) .
C1' H1' 1.0397 .
B2' C1' 0.352(12) 2_655
B2' B3' 1.686(19) 2_655
B2' B3' 1.728(14) .
B2' B4' 1.862(11) 2_655
B2' B5' 1.876(9) 2_655
B2' H2' 1.1000 .
B3' B2' 1.686(19) 2_655
B3' C1' 1.765(12) 2_655
B3' B7' 1.768(3) .
B3' B5' 1.769(4) 2_655
B3' B4' 1.770(4) .
B3' H3' 1.1000 .
B4' B8' 1.774(3) .
B4' B7' 1.776(4) .
B4' B5' 1.788(3) .
B4' B2' 1.862(11) 2_655
B4' H4' 1.1000 .
B5' B3' 1.769(4) 2_655
B5' B8' 1.770(4) .
B5' B7' 1.776(4) 2_655
B5' B2' 1.876(9) 2_655
B5' H5' 1.1000 .
B7' B5' 1.776(4) 2_655
B7' B8' 1.785(4) .
B7' B8' 1.787(3) 2_655
B7' H7' 1.1000 .
B8' B8' 1.777(5) 2_655
B8' B7' 1.787(3) 2_655
B8' H8' 1.1000 .
Sn1 C11 2.086(2) .
Sn1 C31 2.110(2) .
Sn1 C21 2.114(2) .
Sn1 O2 2.2912(14) .
Sn1 O1 2.3040(15) .
C11 C16 1.389(3) .
C11 C12 1.393(3) .
C12 C13 1.393(3) .
C12 C17 1.506(3) .
C13 C14 1.375(4) .
C13 H13A 0.9300 .
C14 C15 1.392(4) .
C14 H14A 0.9300 .
C15 C16 1.390(3) .
C15 H15A 0.9300 .
C16 C19 1.509(3) .
C17 O1 1.433(3) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 O1 1.441(3) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 O2 1.433(3) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C110 O2 1.439(3) .
C110 H11A 0.9600 .
C110 H11B 0.9600 .
C110 H11C 0.9600 .
C21 C26 1.392(3) .
C21 C22 1.393(3) .
C22 C23 1.387(3) .
C22 H22A 0.9300 .
C23 C24 1.377(3) .
C23 H23A 0.9300 .
C24 C25 1.370(4) .
C24 H24A 0.9300 .
C25 C26 1.393(3) .
C25 H25A 0.9300 .
C26 H26A 0.9300 .
C31 C32 1.394(3) .
C31 C36 1.398(3) .
C32 C33 1.382(4) .
C32 H32 0.9300 .
C33 C34 1.380(4) .
C33 H33 0.9300 .
C34 C35 1.374(4) .
C34 H34 0.9300 .
C35 C36 1.387(4) .
C35 H35 0.9300 .
C36 H36 0.9300 .
