Supplementary material (ESI) for Chemical Communications
This journal is (c) The Royal Society of Chemistry 2002

data_global

_journal_coden_Cambridge      182

loop_
_publ_author_name
_publ_author_address

'Wilson, Neil M. M.'
;       
Department of Chemistry
Heriot-Watt University
Edinburgh EH14 4AS
;
'Ellis, David'
;       
Department of Chemistry
Heriot-Watt University
Edinburgh EH14 4AS
;
'Boyd, Alan S. F.'
;       
Department of Chemistry
Heriot-Watt University
Edinburgh EH14 4AS
;
'Giles, Barry T.'
;       
Department of Chemistry
Heriot-Watt University
Edinburgh EH14 4AS
;
'Macgregor, Stuart A.'
;       
Department of Chemistry
Heriot-Watt University
Edinburgh EH14 4AS
;
'Rosair, Georgina M.'
;       
Department of Chemistry
Heriot-Watt University
Edinburgh EH14 4AS
;
'Welch, Alan J.'
;       
Department of Chemistry
Heriot-Watt University
Edinburgh EH14 4AS
;


# 1. SUBMISSION DETAILS
_publ_contact_author_name     	'Prof Alan Welch'  
_publ_contact_author_address 
;
Department of Chemistry
Heriot-Watt University
Riccarton
EDINBURGH
EH14 4AS
U.K.
;


_publ_contact_author_phone        '0131 451-3217'
_publ_contact_author_fax          '0131 451 3180'
_publ_contact_author_email        A.J.Welch@hw.ac.uk

_publ_requested_journal           'Chem. Comm.'
_publ_requested_coeditor_name     ?


#==========================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title
;
The first supraicosahedral p-block metallacarboranes.
;

data_1
_database_code_CSD                  173828

_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
'C2 H12 B10 Sn'
_chemical_formula_weight          262.91

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'
'Sn'  'Sn'  -0.6537   1.4246
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting            Monoclinic
_symmetry_space_group_name_H-M    Pc

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'

_cell_length_a                    15.315(4)
_cell_length_b                    10.023(4)
_cell_length_c                    9.917(2)
_cell_angle_alpha                 90.00
_cell_angle_beta                  108.593(18)
_cell_angle_gamma                 90.00
_cell_volume                      1442.9(8)
_cell_formula_units_Z             6
_cell_measurement_temperature     160(2)
_cell_measurement_reflns_used     36
_cell_measurement_theta_min       4.96
_cell_measurement_theta_max       12.52

_exptl_crystal_description        pointed_needle
_exptl_crystal_colour             colourless
_exptl_crystal_size_max           0.68
_exptl_crystal_size_mid           0.26
_exptl_crystal_size_min           0.08
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.815
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              744
_exptl_absorpt_coefficient_mu     2.581
_exptl_absorpt_correction_type    psi-scan
_exptl_absorpt_correction_T_min   0.391
_exptl_absorpt_correction_T_max   0.813
_exptl_absorpt_process_details    '(North et al., 1968)'

_exptl_special_details
;
?
;

_diffrn_ambient_temperature       160(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   'Bruker P4'
_diffrn_measurement_method        '\w scans'
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_number          3
_diffrn_standards_interval_count  97
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         0
_diffrn_reflns_number             2713
_diffrn_reflns_av_R_equivalents   0.0458
_diffrn_reflns_av_sigmaI/netI     0.0381
_diffrn_reflns_limit_h_min        -18
_diffrn_reflns_limit_h_max        16
_diffrn_reflns_limit_k_min        -11
_diffrn_reflns_limit_k_max        1
_diffrn_reflns_limit_l_min        -1
_diffrn_reflns_limit_l_max        11
_diffrn_reflns_theta_min          2.97
_diffrn_reflns_theta_max          25.03
_reflns_number_total              2401
_reflns_number_gt                 2326
_reflns_threshold_expression      >2sigma(I)

_computing_data_collection        'Bruker XSCANS'
_computing_cell_refinement        'Bruker XSCANS'
_computing_data_reduction         'Bruker SHELXTL'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'Bruker SHELXTL'
_computing_publication_material   'Bruker SHELXTL'

_refine_special_details
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR
and
goodness of fit S are based on F^2^, conventional R-factors R are based

on F, with F set to zero for negative F^2^. The threshold expression of

F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and
is
not relevant to the choice of reflections for refinement.  R-factors
based
on F^2^ are statistically about twice as large as those based on F, and
R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0877P)^2^+24.1041P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     mixed
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_abs_structure_details
'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack    0.45(13)
_refine_ls_number_reflns          2401
_refine_ls_number_parameters      181
_refine_ls_number_restraints      5
_refine_ls_R_factor_all           0.0676
_refine_ls_R_factor_gt            0.0665
_refine_ls_wR_factor_ref          0.1751
_refine_ls_wR_factor_gt           0.1741
_refine_ls_goodness_of_fit_ref    1.082
_refine_ls_restrained_S_all       1.081
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000

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
Sn4A Sn 1.07232(6) 0.70554(11) 0.26487(9) 0.0230(4) Uani 1 1 d . . .
C1A C 0.9530(17) 0.598(3) 0.339(3) 0.048(6) Uiso 1 1 d . . .
H1A H 0.9771 0.5121 0.4134 0.058 Uiso 1 1 calc R . .
B2A B 0.9553(18) 0.722(2) 0.410(3) 0.035(5) Uiso 1 1 d . . .
H2A H 0.9911 0.7164 0.5275 0.042 Uiso 1 1 calc R . .
B3A B 0.9182(18) 0.574(3) 0.182(3) 0.039(6) Uiso 1 1 d . . .
H3A H 0.9223 0.4674 0.1496 0.047 Uiso 1 1 calc R . .
B5A B 0.8404(14) 0.641(2) 0.278(2) 0.025(4) Uiso 1 1 d D . .
H5A H 0.805(13) 0.569(16) 0.33(2) 0.030 Uiso 1 1 d D . .
C6A C 0.9509(12) 0.8713(19) 0.3376(18) 0.024(4) Uiso 1 1 d . . .
H6A H 0.9901 0.9470 0.4169 0.029 Uiso 1 1 calc R . .
B7A B 0.9279(19) 0.716(3) 0.067(3) 0.040(6) Uiso 1 1 d . . .
H7A H 0.9507 0.6967 -0.0280 0.049 Uiso 1 1 calc R . .
B8A B 0.8204(17) 0.666(3) 0.083(3) 0.035(5) Uiso 1 1 d . . .
H8A H 0.7703 0.6078 -0.0037 0.042 Uiso 1 1 calc R . .
B9A B 0.8494(15) 0.824(2) 0.354(2) 0.028(4) Uiso 1 1 d . . .
H9A H 0.8186 0.8598 0.4364 0.034 Uiso 1 1 calc R . .
B10A B 0.9470(17) 0.880(3) 0.166(2) 0.035(5) Uiso 1 1 d . . .
H10A H 0.9872 0.9627 0.1374 0.042 Uiso 1 1 calc R . .
B11A B 0.7745(16) 0.782(2) 0.178(2) 0.026(4) Uiso 1 1 d . . .
H11A H 0.6983 0.7875 0.1560 0.031 Uiso 1 1 calc R . .
B12A B 0.8534(13) 0.925(2) 0.2121(19) 0.020(4) Uiso 1 1 d . . .
H12A H 0.8295 1.0315 0.2039 0.024 Uiso 1 1 calc R . .
B13A B 0.8333(13) 0.834(2) 0.0560(19) 0.020(4) Uiso 1 1 d . . .
H13A H 0.7961 0.8832 -0.0481 0.024 Uiso 1 1 calc R . .
Sn4B Sn 0.73902(12) 0.29202(11) 0.16247(15) 0.0284(4) Uani 1 1 d . . .
C1B C 0.610(2) 0.388(3) 0.196(3) 0.065(7) Uiso 1 1 d . . .
H1B H 0.6231 0.4714 0.2757 0.078 Uiso 1 1 calc R . .
B2B B 0.6064(18) 0.243(3) 0.256(3) 0.039(5) Uiso 1 1 d . . .
H2B H 0.6072 0.2520 0.3693 0.046 Uiso 1 1 calc R . .
B3B B 0.594(3) 0.419(5) 0.033(5) 0.081(11) Uiso 1 1 d . . .
H3B H 0.6057 0.5239 0.0044 0.097 Uiso 1 1 calc R . .
B5B B 0.4937(17) 0.346(3) 0.102(2) 0.033(5) Uiso 1 1 d D . .
H5B H 0.449(12) 0.41(2) 0.14(2) 0.040 Uiso 1 1 d D . .
C6B C 0.6097(13) 0.116(2) 0.1647(19) 0.028(4) Uiso 1 1 d . . .
H6B H 0.6415 0.0311 0.2375 0.033 Uiso 1 1 calc R . .
B7B B 0.615(2) 0.299(3) -0.069(3) 0.044(6) Uiso 1 1 d . . .
H7B H 0.6517 0.3308 -0.1447 0.053 Uiso 1 1 calc R . .
B8B B 0.498(2) 0.349(3) -0.085(3) 0.046(6) Uiso 1 1 d . . .
H8B H 0.4538 0.4183 -0.1659 0.056 Uiso 1 1 calc R . .
B9B B 0.4987(15) 0.159(2) 0.147(2) 0.028(4) Uiso 1 1 d . . .
H9B H 0.4538 0.1165 0.2060 0.034 Uiso 1 1 calc R . .
B10B B 0.6249(18) 0.135(3) 0.000(3) 0.040(5) Uiso 1 1 d . . .
H10B H 0.6725 0.0632 -0.0276 0.048 Uiso 1 1 calc R . .
B11B B 0.446(2) 0.214(2) -0.030(3) 0.037(5) Uiso 1 1 d . . .
H11B H 0.3693 0.2049 -0.0777 0.044 Uiso 1 1 calc R . .
B12B B 0.5206(15) 0.072(2) 0.007(2) 0.027(4) Uiso 1 1 d . . .
H12B H 0.4968 -0.0335 -0.0202 0.032 Uiso 1 1 calc R . .
B13B B 0.5221(17) 0.180(3) -0.133(3) 0.035(5) Uiso 1 1 d . . .
H13B H 0.4998 0.1425 -0.2449 0.042 Uiso 1 1 calc R . .
Sn4C Sn 0.40572(12) 0.29260(12) 0.49589(15) 0.0291(4) Uani 1 1 d . . .
C1C C 0.2836(15) 0.397(2) 0.308(2) 0.037(5) Uiso 1 1 d . . .
H1C H 0.3052 0.4785 0.2486 0.044 Uiso 1 1 calc R . .
B2C B 0.2810(19) 0.254(3) 0.242(3) 0.044(6) Uiso 1 1 d . . .
H2C H 0.2883 0.2682 0.1345 0.053 Uiso 1 1 calc R . .
B3C B 0.2527(17) 0.431(3) 0.438(2) 0.034(5) Uiso 1 1 d . . .
H3C H 0.2577 0.5398 0.4643 0.041 Uiso 1 1 calc R . .
B5C B 0.1647(13) 0.349(2) 0.277(2) 0.021(4) Uiso 1 1 d D . .
H5C H 0.108(9) 0.403(17) 0.200(16) 0.026 Uiso 1 1 d D . .
C6C C 0.2767(12) 0.1159(19) 0.3328(18) 0.023(4) Uiso 1 1 d . . .
H6C H 0.3098 0.0297 0.2898 0.028 Uiso 1 1 calc R . .
B7C B 0.2680(19) 0.293(3) 0.572(3) 0.041(6) Uiso 1 1 d . . .
H7C H 0.2947 0.3230 0.6869 0.049 Uiso 1 1 calc R . .
B8C B 0.1601(13) 0.338(2) 0.4641(19) 0.020(4) Uiso 1 1 d . . .
H8C H 0.1137 0.4014 0.5052 0.024 Uiso 1 1 calc R . .
B9C B 0.1712(14) 0.165(2) 0.232(2) 0.024(4) Uiso 1 1 d . . .
H9C H 0.1300 0.1264 0.1243 0.029 Uiso 1 1 calc R . .
B10C B 0.2894(12) 0.1292(19) 0.5125(17) 0.015(3) Uiso 1 1 d . . .
H10C H 0.3363 0.0569 0.5876 0.018 Uiso 1 1 calc R . .
B11C B 0.1108(14) 0.2142(18) 0.345(2) 0.019(4) Uiso 1 1 d . . .
H11C H 0.0337 0.2073 0.3068 0.023 Uiso 1 1 calc R . .
B12C B 0.1876(15) 0.070(2) 0.382(2) 0.025(4) Uiso 1 1 d . . .
H12C H 0.1646 -0.0368 0.3761 0.031 Uiso 1 1 calc R . .
B13C B 0.1800(13) 0.173(2) 0.5205(19) 0.019(4) Uiso 1 1 d . . .
H13C H 0.1512 0.1289 0.6010 0.023 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Sn4A 0.0211(9) 0.0187(7) 0.0300(6) -0.0009(6) 0.0092(5) 0.0013(6)
Sn4B 0.0190(7) 0.0194(6) 0.0454(11) 0.0044(6) 0.0085(8) -0.0004(6)
Sn4C 0.0192(7) 0.0199(6) 0.0472(11) 0.0055(6) 0.0090(8) -0.0019(6)

_geom_special_details
;
All esds (except the esd in the dihedral angle between two l.s. planes)

are estimated using the full covariance matrix.  The cell esds are
taken
into account individually in the estimation of esds in distances,
angles
and torsion angles; correlations between esds in cell parameters are
only
used when they are defined by crystal symmetry.  An approximate
(isotropic)
treatment of cell esds is used for estimating esds involving l.s.
planes.
;

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
Sn4A C1A 2.43(3) . ?
Sn4A B7A 2.45(3) . ?
Sn4A B10A 2.55(2) . ?
Sn4A B3A 2.60(3) . ?
Sn4A B2A 2.64(3) . ?
Sn4A C6A 2.756(18) . ?
C1A B2A 1.42(4) . ?
C1A B3A 1.50(3) . ?
C1A B5A 1.69(3) . ?
C1A H1A 1.1200 . ?
B2A C6A 1.65(3) . ?
B2A B9A 1.85(3) . ?
B2A B5A 2.00(3) . ?
B2A H2A 1.1200 . ?
B3A B8A 1.77(4) . ?
B3A B5A 1.87(3) . ?
B3A B7A 1.87(4) . ?
B3A H3A 1.1200 . ?
B5A B11A 1.83(3) . ?
B5A B8A 1.87(3) . ?
B5A B9A 1.97(3) . ?
B5A H5A 1.10(2) . ?
C6A B9A 1.68(3) . ?
C6A B10A 1.69(3) . ?
C6A B12A 1.70(3) . ?
C6A H6A 1.1200 . ?
B7A B8A 1.78(4) . ?
B7A B13A 1.85(3) . ?
B7A B10A 1.88(4) . ?
B7A H7A 1.1200 . ?
B8A B13A 1.73(3) . ?
B8A B11A 1.77(3) . ?
B8A H8A 1.1200 . ?
B9A B12A 1.75(3) . ?
B9A B11A 1.81(3) . ?
B9A H9A 1.1200 . ?
B10A B12A 1.70(3) . ?
B10A B13A 1.79(3) . ?
B10A H10A 1.1200 . ?
B11A B13A 1.80(3) . ?
B11A B12A 1.84(3) . ?
B11A H11A 1.1200 . ?
B12A B13A 1.74(3) . ?
B12A H12A 1.1200 . ?
B13A H13A 1.1200 . ?
Sn4B C1B 2.32(3) . ?
Sn4B B7B 2.47(3) . ?
Sn4B B10B 2.52(3) . ?
Sn4B B3B 2.53(4) . ?
Sn4B B2B 2.54(3) . ?
Sn4B C6B 2.660(19) . ?
C1B B2B 1.58(4) . ?
C1B B3B 1.59(5) . ?
C1B B5B 1.77(4) . ?
C1B H1B 1.1200 . ?
B2B C6B 1.58(3) . ?
B2B B9B 1.86(3) . ?
B2B H2B 1.1200 . ?
B3B B7B 1.66(5) . ?
B3B B8B 1.70(5) . ?
B3B B5B 2.00(5) . ?
B3B H3B 1.1200 . ?
B5B B11B 1.85(3) . ?
B5B B8B 1.88(4) . ?
B5B B9B 1.92(3) . ?
B5B H5B 1.10(2) . ?
C6B B9B 1.71(3) . ?
C6B B10B 1.74(3) . ?
C6B B12B 1.77(3) . ?
C6B H6B 1.1200 . ?
B7B B10B 1.76(4) . ?
B7B B13B 1.81(4) . ?
B7B B8B 1.81(4) . ?
B7B H7B 1.1200 . ?
B8B B11B 1.74(4) . ?
B8B B13B 1.82(4) . ?
B8B H8B 1.1200 . ?
B9B B12B 1.77(3) . ?
B9B B11B 1.77(3) . ?
B9B H9B 1.1200 . ?
B10B B12B 1.74(3) . ?
B10B B13B 1.75(3) . ?
B10B H10B 1.1200 . ?
B11B B12B 1.79(3) . ?
B11B B13B 1.80(4) . ?
B11B H11B 1.1200 . ?
B12B B13B 1.76(3) . ?
B12B H12B 1.1200 . ?
B13B H13B 1.1200 . ?
Sn4C C1C 2.41(2) . ?
Sn4C B7C 2.46(3) . ?
Sn4C B10C 2.464(18) . ?
Sn4C B3C 2.62(2) . ?
Sn4C B2C 2.66(3) . ?
Sn4C C6C 2.760(18) . ?
C1C B3C 1.54(3) . ?
C1C B2C 1.57(4) . ?
C1C B5C 1.81(3) . ?
C1C H1C 1.1200 . ?
B2C C6C 1.66(3) . ?
B2C B9C 1.88(4) . ?
B2C H2C 1.1200 . ?
B3C B8C 1.78(3) . ?
B3C B7C 1.88(3) . ?
B3C B5C 1.92(3) . ?
B3C H3C 1.1200 . ?
B5C B11C 1.82(3) . ?
B5C B8C 1.89(3) . ?
B5C B9C 1.90(3) . ?
B5C H5C 1.10(2) . ?
C6C B12C 1.66(3) . ?
C6C B9C 1.68(3) . ?
C6C B10C 1.74(2) . ?
C6C H6C 1.1501 . ?
B7C B8C 1.72(3) . ?
B7C B13C 1.76(3) . ?
B7C B10C 1.81(3) . ?
B7C H7C 1.1200 . ?
B8C B11C 1.72(3) . ?
B8C B13C 1.74(3) . ?
B8C H8C 1.1200 . ?
B9C B12C 1.72(3) . ?
B9C B11C 1.74(3) . ?
B9C H9C 1.1200 . ?
B10C B13C 1.76(2) . ?
B10C B12C 1.78(3) . ?
B10C H10C 1.1200 . ?
B11C B13C 1.77(3) . ?
B11C B12C 1.83(3) . ?
B11C H11C 1.1200 . ?
B12C B13C 1.75(3) . ?
B12C H12C 1.1200 . ?
B13C H13C 1.1200 . ?

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
C1A Sn4A B7A 71.8(9) . . ?
C1A Sn4A B10A 82.8(8) . . ?
B7A Sn4A B10A 44.2(8) . . ?
C1A Sn4A B3A 34.4(8) . . ?
B7A Sn4A B3A 43.3(8) . . ?
B10A Sn4A B3A 74.4(8) . . ?
C1A Sn4A B2A 32.3(8) . . ?
B7A Sn4A B2A 80.7(9) . . ?
B10A Sn4A B2A 67.0(8) . . ?
B3A Sn4A B2A 59.9(8) . . ?
C1A Sn4A C6A 63.4(7) . . ?
B7A Sn4A C6A 70.8(7) . . ?
B10A Sn4A C6A 36.9(6) . . ?
B3A Sn4A C6A 76.6(7) . . ?
B2A Sn4A C6A 35.5(6) . . ?
B2A C1A B3A 127(2) . . ?
B2A C1A B5A 79.3(18) . . ?
B3A C1A B5A 71.7(16) . . ?
B2A C1A Sn4A 82.1(16) . . ?
B3A C1A Sn4A 79.2(14) . . ?
B5A C1A Sn4A 124.0(15) . . ?
B2A C1A H1A 113.2 . . ?
B3A C1A H1A 119.5 . . ?
B5A C1A H1A 121.0 . . ?
Sn4A C1A H1A 114.9 . . ?
C1A B2A C6A 126(2) . . ?
C1A B2A B9A 117(2) . . ?
C6A B2A B9A 57.2(12) . . ?
C1A B2A B5A 56.3(15) . . ?
C6A B2A B5A 100.1(15) . . ?
B9A B2A B5A 61.5(12) . . ?
C1A B2A Sn4A 65.6(14) . . ?
C6A B2A Sn4A 76.1(11) . . ?
B9A B2A Sn4A 123.8(14) . . ?
B5A B2A Sn4A 103.1(12) . . ?
C1A B2A H2A 113.5 . . ?
C6A B2A H2A 116.0 . . ?
B9A B2A H2A 115.5 . . ?
B5A B2A H2A 134.2 . . ?
Sn4A B2A H2A 111.8 . . ?
C1A B3A B8A 117(2) . . ?
C1A B3A B5A 59.0(15) . . ?
B8A B3A B5A 61.8(13) . . ?
C1A B3A B7A 116(2) . . ?
B8A B3A B7A 58.6(14) . . ?
B5A B3A B7A 102.8(18) . . ?
C1A B3A Sn4A 66.4(13) . . ?
B8A B3A Sn4A 115.6(15) . . ?
B5A B3A Sn4A 108.4(13) . . ?
B7A B3A Sn4A 64.0(11) . . ?
C1A B3A H3A 114.9 . . ?
B8A B3A H3A 117.1 . . ?
B5A B3A H3A 126.4 . . ?
B7A B3A H3A 122.1 . . ?
Sn4A B3A H3A 116.5 . . ?
C1A B5A B11A 135.4(17) . . ?
C1A B5A B8A 102.4(15) . . ?
B11A B5A B8A 57.1(12) . . ?
C1A B5A B3A 49.3(12) . . ?
B11A B5A B3A 109.3(15) . . ?
B8A B5A B3A 56.3(12) . . ?
C1A B5A B9A 99.3(15) . . ?
B11A B5A B9A 56.8(11) . . ?
B8A B5A B9A 104.0(14) . . ?
B3A B5A B9A 123.6(15) . . ?
C1A B5A B2A 44.4(12) . . ?
B11A B5A B2A 105.1(14) . . ?
B8A B5A B2A 116.2(15) . . ?
B3A B5A B2A 84.8(14) . . ?
B9A B5A B2A 55.4(11) . . ?
C1A B5A H5A 105(10) . . ?
B11A B5A H5A 119(10) . . ?
B8A B5A H5A 127(10) . . ?
B3A B5A H5A 118(10) . . ?
B9A B5A H5A 115(10) . . ?
B2A B5A H5A 116(10) . . ?
B2A C6A B9A 67.3(14) . . ?
B2A C6A B10A 118.0(17) . . ?
B9A C6A B10A 112.3(15) . . ?
B2A C6A B12A 120.8(16) . . ?
B9A C6A B12A 62.5(12) . . ?
B10A C6A B12A 60.3(12) . . ?
B2A C6A Sn4A 68.3(11) . . ?
B9A C6A Sn4A 125.4(12) . . ?
B10A C6A Sn4A 64.9(11) . . ?
B12A C6A Sn4A 120.6(10) . . ?
B2A C6A H6A 111.7 . . ?
B9A C6A H6A 115.2 . . ?
B10A C6A H6A 120.8 . . ?
B12A C6A H6A 116.6 . . ?
Sn4A C6A H6A 109.7 . . ?
B8A B7A B13A 57.0(13) . . ?
B8A B7A B3A 57.9(14) . . ?
B13A B7A B3A 108.2(18) . . ?
B8A B7A B10A 101.1(18) . . ?
B13A B7A B10A 57.4(12) . . ?
B3A B7A B10A 112.2(18) . . ?
B8A B7A Sn4A 122.6(16) . . ?
B13A B7A Sn4A 124.5(14) . . ?
B3A B7A Sn4A 72.7(12) . . ?
B10A B7A Sn4A 70.8(11) . . ?
B8A B7A H7A 125.0 . . ?
B13A B7A H7A 120.9 . . ?
B3A B7A H7A 119.0 . . ?
B10A B7A H7A 123.5 . . ?
Sn4A B7A H7A 102.8 . . ?
B13A B8A B11A 61.7(13) . . ?
B13A B8A B3A 118.6(18) . . ?
B11A B8A B3A 117.5(17) . . ?
B13A B8A B7A 63.5(14) . . ?
B11A B8A B7A 113.4(18) . . ?
B3A B8A B7A 63.5(15) . . ?
B13A B8A B5A 107.6(16) . . ?
B11A B8A B5A 60.4(12) . . ?
B3A B8A B5A 61.9(13) . . ?
B7A B8A B5A 106.3(17) . . ?
B13A B8A H8A 118.2 . . ?
B11A B8A H8A 117.4 . . ?
B3A B8A H8A 113.9 . . ?
B7A B8A H8A 120.2 . . ?
B5A B8A H8A 124.9 . . ?
C6A B9A B12A 59.2(11) . . ?
C6A B9A B11A 106.7(15) . . ?
B12A B9A B11A 61.9(12) . . ?
C6A B9A B2A 55.5(12) . . ?
B12A B9A B2A 107.9(15) . . ?
B11A B9A B2A 112.6(16) . . ?
C6A B9A B5A 100.1(14) . . ?
B12A B9A B5A 104.1(14) . . ?
B11A B9A B5A 57.8(11) . . ?
B2A B9A B5A 63.1(12) . . ?
C6A B9A H9A 126.8 . . ?
B12A B9A H9A 122.1 . . ?
B11A B9A H9A 119.6 . . ?
B2A B9A H9A 119.5 . . ?
B5A B9A H9A 125.5 . . ?
C6A B10A B12A 60.1(12) . . ?
C6A B10A B13A 108.3(16) . . ?
B12A B10A B13A 59.5(12) . . ?
C6A B10A B7A 115.5(18) . . ?
B12A B10A B7A 111.6(17) . . ?
B13A B10A B7A 60.2(13) . . ?
C6A B10A Sn4A 78.2(11) . . ?
B12A B10A Sn4A 132.4(14) . . ?
B13A B10A Sn4A 121.7(14) . . ?
B7A B10A Sn4A 65.0(11) . . ?
C6A B10A H10A 116.5 . . ?
B12A B10A H10A 116.5 . . ?
B13A B10A H10A 122.8 . . ?
B7A B10A H10A 121.4 . . ?
Sn4A B10A H10A 101.5 . . ?
B8A B11A B13A 58.0(12) . . ?
B8A B11A B9A 115.3(16) . . ?
B13A B11A B9A 106.5(15) . . ?
B8A B11A B5A 62.5(12) . . ?
B13A B11A B5A 106.4(15) . . ?
B9A B11A B5A 65.5(13) . . ?
B8A B11A B12A 105.3(15) . . ?
B13A B11A B12A 57.1(11) . . ?
B9A B11A B12A 57.5(11) . . ?
B5A B11A B12A 106.6(15) . . ?
B8A B11A H11A 119.7 . . ?
B13A B11A H11A 125.0 . . ?
B9A B11A H11A 118.2 . . ?
B5A B11A H11A 119.9 . . ?
B12A B11A H11A 125.7 . . ?
C6A B12A B10A 59.6(12) . . ?
C6A B12A B13A 110.5(14) . . ?
B10A B12A B13A 62.8(12) . . ?
C6A B12A B9A 58.3(11) . . ?
B10A B12A B9A 108.2(15) . . ?
B13A B12A B9A 111.8(15) . . ?
C6A B12A B11A 105.0(14) . . ?
B10A B12A B11A 107.6(15) . . ?
B13A B12A B11A 60.3(11) . . ?
B9A B12A B11A 60.6(12) . . ?
C6A B12A H12A 123.2 . . ?
B10A B12A H12A 121.3 . . ?
B13A B12A H12A 118.2 . . ?
B9A B12A H12A 120.8 . . ?
B11A B12A H12A 123.2 . . ?
B8A B13A B12A 111.6(15) . . ?
B8A B13A B10A 106.9(16) . . ?
B12A B13A B10A 57.6(12) . . ?
B8A B13A B11A 60.3(12) . . ?
B12A B13A B11A 62.6(11) . . ?
B10A B13A B11A 105.4(14) . . ?
B8A B13A B7A 59.6(13) . . ?
B12A B13A B7A 111.8(14) . . ?
B10A B13A B7A 62.3(13) . . ?
B11A B13A B7A 109.1(15) . . ?
B8A B13A H13A 121.3 . . ?
B12A B13A H13A 119.1 . . ?
B10A B13A H13A 124.0 . . ?
B11A B13A H13A 121.9 . . ?
B7A B13A H13A 119.5 . . ?
C1B Sn4B B7B 71.5(10) . . ?
C1B Sn4B B10B 84.4(10) . . ?
B7B Sn4B B10B 41.4(9) . . ?
C1B Sn4B B3B 37.9(12) . . ?
B7B Sn4B B3B 38.8(12) . . ?
B10B Sn4B B3B 70.6(12) . . ?
C1B Sn4B B2B 37.6(10) . . ?
B7B Sn4B B2B 82.9(9) . . ?
B10B Sn4B B2B 69.0(8) . . ?
B3B Sn4B B2B 66.8(12) . . ?
C1B Sn4B C6B 66.6(9) . . ?
B7B Sn4B C6B 70.9(8) . . ?
B10B Sn4B C6B 39.1(7) . . ?
B3B Sn4B C6B 78.5(11) . . ?
B2B Sn4B C6B 35.3(7) . . ?
B2B C1B B3B 123(3) . . ?
B2B C1B B5B 80.4(19) . . ?
B3B C1B B5B 73(2) . . ?
B2B C1B Sn4B 78.6(16) . . ?
B3B C1B Sn4B 78(2) . . ?
B5B C1B Sn4B 125.7(18) . . ?
B2B C1B H1B 116.0 . . ?
B3B C1B H1B 120.7 . . ?
B5B C1B H1B 118.2 . . ?
Sn4B C1B H1B 116.0 . . ?
C1B B2B C6B 121(2) . . ?
C1B B2B B9B 109.1(19) . . ?
C6B B2B B9B 58.9(13) . . ?
C1B B2B Sn4B 63.7(14) . . ?
C6B B2B Sn4B 76.6(12) . . ?
B9B B2B Sn4B 122.6(14) . . ?
C1B B2B H2B 108.3 . . ?
C6B B2B H2B 130.3 . . ?
B9B B2B H2B 110.0 . . ?
Sn4B B2B H2B 126.6 . . ?
C1B B3B B7B 119(3) . . ?
C1B B3B B8B 116(3) . . ?
B7B B3B B8B 65(2) . . ?
C1B B3B B5B 57.8(19) . . ?
B7B B3B B5B 105(3) . . ?
B8B B3B B5B 60.3(19) . . ?
C1B B3B Sn4B 63.8(18) . . ?
B7B B3B Sn4B 68.6(19) . . ?
B8B B3B Sn4B 124(3) . . ?
B5B B3B Sn4B 107(2) . . ?
C1B B3B H3B 116.8 . . ?
B7B B3B H3B 116.5 . . ?
B8B B3B H3B 113.1 . . ?
B5B B3B H3B 129.2 . . ?
Sn4B B3B H3B 114.2 . . ?
C1B B5B B11B 130(2) . . ?
C1B B5B B8B 99.7(18) . . ?
B11B B5B B8B 55.7(14) . . ?
C1B B5B B9B 98.6(17) . . ?
B11B B5B B9B 56.1(12) . . ?
B8B B5B B9B 103.2(17) . . ?
C1B B5B B3B 49.3(17) . . ?
B11B B5B B3B 100.8(19) . . ?
B8B B5B B3B 51.8(16) . . ?
B9B B5B B3B 117(2) . . ?
C1B B5B H5B 108(10) . . ?
B11B B5B H5B 121(10) . . ?
B8B B5B H5B 125(10) . . ?
B9B B5B H5B 118(10) . . ?
B3B B5B H5B 123(10) . . ?
B2B C6B B9B 68.8(14) . . ?
B2B C6B B10B 119.3(19) . . ?
B9B C6B B10B 107.7(15) . . ?
B2B C6B B12B 123.6(16) . . ?
B9B C6B B12B 61.0(11) . . ?
B10B C6B B12B 59.5(12) . . ?
B2B C6B Sn4B 68.1(12) . . ?
B9B C6B Sn4B 123.2(12) . . ?
B10B C6B Sn4B 66.0(11) . . ?
B12B C6B Sn4B 121.6(11) . . ?
B2B C6B H6B 109.2 . . ?
B9B C6B H6B 118.2 . . ?
B10B C6B H6B 122.2 . . ?
B12B C6B H6B 115.8 . . ?
Sn4B C6B H6B 109.7 . . ?
B3B B7B B10B 117(3) . . ?
B3B B7B B13B 114(2) . . ?
B10B B7B B13B 58.8(14) . . ?
B3B B7B B8B 58(2) . . ?
B10B B7B B8B 105(2) . . ?
B13B B7B B8B 60.5(16) . . ?
B3B B7B Sn4B 72.6(18) . . ?
B10B B7B Sn4B 70.7(13) . . ?
B13B B7B Sn4B 126.3(16) . . ?
B8B B7B Sn4B 122.3(17) . . ?
B3B B7B H7B 116.1 . . ?
B10B B7B H7B 121.4 . . ?
B13B B7B H7B 117.4 . . ?
B8B B7B H7B 123.9 . . ?
Sn4B B7B H7B 103.2 . . ?
B3B B8B B11B 119(2) . . ?
B3B B8B B7B 57(2) . . ?
B11B B8B B7B 108(2) . . ?
B3B B8B B13B 111(2) . . ?
B11B B8B B13B 60.8(15) . . ?
B7B B8B B13B 59.8(15) . . ?
B3B B8B B5B 68(2) . . ?
B11B B8B B5B 61.3(15) . . ?
B7B B8B B5B 105.0(19) . . ?
B13B B8B B5B 108.7(19) . . ?
B3B B8B H8B 115.3 . . ?
B11B B8B H8B 118.0 . . ?
B7B B8B H8B 126.4 . . ?
B13B B8B H8B 121.3 . . ?
B5B B8B H8B 120.6 . . ?
C6B B9B B12B 61.3(12) . . ?
C6B B9B B11B 107.6(16) . . ?
B12B B9B B11B 60.7(13) . . ?
C6B B9B B2B 52.3(12) . . ?
B12B B9B B2B 109.1(16) . . ?
B11B B9B B2B 118.5(17) . . ?
C6B B9B B5B 103.8(15) . . ?
B12B B9B B5B 107.8(15) . . ?
B11B B9B B5B 59.8(12) . . ?
B2B B9B B5B 69.9(13) . . ?
C6B B9B H9B 127.3 . . ?
B12B B9B H9B 121.5 . . ?
B11B B9B H9B 118.2 . . ?
B2B B9B H9B 116.7 . . ?
B5B B9B H9B 120.6 . . ?
C6B B10B B12B 61.3(12) . . ?
C6B B10B B13B 112.0(18) . . ?
B12B B10B B13B 60.5(14) . . ?
C6B B10B B7B 117(2) . . ?
B12B B10B B7B 112.9(19) . . ?
B13B B10B B7B 61.9(15) . . ?
C6B B10B Sn4B 74.9(11) . . ?
B12B B10B Sn4B 131.3(15) . . ?
B13B B10B Sn4B 126.5(16) . . ?
B7B B10B Sn4B 67.9(13) . . ?
C6B B10B H10B 116.5 . . ?
B12B B10B H10B 116.7 . . ?
B13B B10B H10B 118.9 . . ?
B7B B10B H10B 119.5 . . ?
Sn4B B10B H10B 100.7 . . ?
B8B B11B B9B 115.9(19) . . ?
B8B B11B B12B 111(2) . . ?
B9B B11B B12B 59.4(13) . . ?
B8B B11B B13B 61.8(16) . . ?
B9B B11B B13B 109.1(18) . . ?
B12B B11B B13B 58.7(14) . . ?
B8B B11B B5B 63.0(14) . . ?
B9B B11B B5B 64.1(14) . . ?
B12B B11B B5B 110.1(18) . . ?
B13B B11B B5B 110.8(18) . . ?
B8B B11B H11B 117.3 . . ?
B9B B11B H11B 118.4 . . ?
B12B B11B H11B 122.5 . . ?
B13B B11B H11B 121.9 . . ?
B5B B11B H11B 118.7 . . ?
B10B B12B B13B 60.1(13) . . ?
B10B B12B B9B 104.9(16) . . ?
B13B B12B B9B 111.4(17) . . ?
B10B B12B C6B 59.2(12) . . ?
B13B B12B C6B 109.9(16) . . ?
B9B B12B C6B 57.7(11) . . ?
B10B B12B B11B 103.5(17) . . ?
B13B B12B B11B 61.1(14) . . ?
B9B B12B B11B 59.8(13) . . ?
C6B B12B B11B 104.2(15) . . ?
B10B B12B H12B 124.6 . . ?
B13B B12B H12B 118.4 . . ?
B9B B12B H12B 121.9 . . ?
C6B B12B H12B 123.0 . . ?
B11B B12B H12B 124.3 . . ?
B10B B13B B12B 59.4(13) . . ?
B10B B13B B11B 102.4(18) . . ?
B12B B13B B11B 60.3(13) . . ?
B10B B13B B7B 59.3(14) . . ?
B12B B13B B7B 109.7(17) . . ?
B11B B13B B7B 104.8(18) . . ?
B10B B13B B8B 104.3(18) . . ?
B12B B13B B8B 108.3(18) . . ?
B11B B13B B8B 57.4(14) . . ?
B7B B13B B8B 59.7(15) . . ?
B10B B13B H13B 125.0 . . ?
B12B B13B H13B 119.9 . . ?
B11B B13B H13B 125.1 . . ?
B7B B13B H13B 121.6 . . ?
B8B B13B H13B 123.1 . . ?
C1C Sn4C B7C 72.9(8) . . ?
C1C Sn4C B10C 86.6(7) . . ?
B7C Sn4C B10C 43.2(7) . . ?
C1C Sn4C B3C 35.3(7) . . ?
B7C Sn4C B3C 43.3(8) . . ?
B10C Sn4C B3C 75.6(7) . . ?
C1C Sn4C B2C 35.7(8) . . ?
B7C Sn4C B2C 82.1(9) . . ?
B10C Sn4C B2C 69.5(8) . . ?
B3C Sn4C B2C 63.0(8) . . ?
C1C Sn4C C6C 66.0(6) . . ?
B7C Sn4C C6C 70.0(7) . . ?
B10C Sn4C C6C 38.3(5) . . ?
B3C Sn4C C6C 77.7(7) . . ?
B2C Sn4C C6C 35.6(7) . . ?
B3C C1C B2C 125(2) . . ?
B3C C1C B5C 69.2(14) . . ?
B2C C1C B5C 78.1(15) . . ?
B3C C1C Sn4C 79.8(12) . . ?
B2C C1C Sn4C 80.6(13) . . ?
B5C C1C Sn4C 120.5(12) . . ?
B3C C1C H1C 120.1 . . ?
B2C C1C H1C 114.7 . . ?
B5C C1C H1C 123.6 . . ?
Sn4C C1C H1C 115.9 . . ?
C1C B2C C6C 122(2) . . ?
C1C B2C B9C 111.1(19) . . ?
C6C B2C B9C 56.4(12) . . ?
C1C B2C Sn4C 63.7(12) . . ?
C6C B2C Sn4C 75.6(11) . . ?
B9C B2C Sn4C 119.0(14) . . ?
C1C B2C H2C 106.5 . . ?
C6C B2C H2C 131.0 . . ?
B9C B2C H2C 111.6 . . ?
Sn4C B2C H2C 128.7 . . ?
C1C B3C B8C 118.6(18) . . ?
C1C B3C B7C 115.2(18) . . ?
B8C B3C B7C 55.9(12) . . ?
C1C B3C B5C 62.1(13) . . ?
B8C B3C B5C 61.2(11) . . ?
B7C B3C B5C 99.9(15) . . ?
C1C B3C Sn4C 64.9(11) . . ?
B8C B3C Sn4C 112.9(13) . . ?
B7C B3C Sn4C 63.6(11) . . ?
B5C B3C Sn4C 107.3(12) . . ?
C1C B3C H3C 113.3 . . ?
B8C B3C H3C 118.1 . . ?
B7C B3C H3C 124.3 . . ?
B5C B3C H3C 126.4 . . ?
Sn4C B3C H3C 118.2 . . ?
C1C B5C B11C 133.1(15) . . ?
C1C B5C B8C 101.2(13) . . ?
B11C B5C B8C 55.1(10) . . ?
C1C B5C B9C 100.0(14) . . ?
B11C B5C B9C 55.6(10) . . ?
B8C B5C B9C 101.4(13) . . ?
C1C B5C B3C 48.7(10) . . ?
B11C B5C B3C 106.9(13) . . ?
B8C B5C B3C 55.9(11) . . ?
B9C B5C B3C 122.4(14) . . ?
C1C B5C H5C 121(10) . . ?
B11C B5C H5C 106(10) . . ?
B8C B5C H5C 116(10) . . ?
B9C B5C H5C 114(10) . . ?
B3C B5C H5C 124(10) . . ?
B12C C6C B2C 124.8(17) . . ?
B12C C6C B9C 62.1(12) . . ?
B2C C6C B9C 68.3(14) . . ?
B12C C6C B10C 63.3(11) . . ?
B2C C6C B10C 118.7(16) . . ?
B9C C6C B10C 111.2(13) . . ?
B12C C6C Sn4C 120.6(11) . . ?
B2C C6C Sn4C 68.8(11) . . ?
B9C C6C Sn4C 122.2(12) . . ?
B10C C6C Sn4C 61.6(8) . . ?
B12C C6C H6C 113.7 . . ?
B2C C6C H6C 109.1 . . ?
B9C C6C H6C 116.9 . . ?
B10C C6C H6C 121.4 . . ?
Sn4C C6C H6C 112.4 . . ?
B8C B7C B13C 60.2(13) . . ?
B8C B7C B10C 105.9(16) . . ?
B13C B7C B10C 59.1(12) . . ?
B8C B7C B3C 59.1(13) . . ?
B13C B7C B3C 112.6(17) . . ?
B10C B7C B3C 115.3(17) . . ?
B8C B7C Sn4C 123.9(15) . . ?
B13C B7C Sn4C 124.3(15) . . ?
B10C B7C Sn4C 68.6(10) . . ?
B3C B7C Sn4C 73.0(12) . . ?
B8C B7C H7C 122.0 . . ?
B13C B7C H7C 118.6 . . ?
B10C B7C H7C 122.0 . . ?
B3C B7C H7C 116.5 . . ?
Sn4C B7C H7C 104.0 . . ?
B7C B8C B11C 111.3(16) . . ?
B7C B8C B13C 61.0(12) . . ?
B11C B8C B13C 61.7(11) . . ?
B7C B8C B3C 65.0(13) . . ?
B11C B8C B3C 118.1(15) . . ?
B13C B8C B3C 118.4(15) . . ?
B7C B8C B5C 107.4(15) . . ?
B11C B8C B5C 60.5(11) . . ?
B13C B8C B5C 108.1(14) . . ?
B3C B8C B5C 62.9(11) . . ?
B7C B8C H8C 121.1 . . ?
B11C B8C H8C 118.0 . . ?
B13C B8C H8C 119.1 . . ?
B3C B8C H8C 112.7 . . ?
B5C B8C H8C 123.7 . . ?
C6C B9C B12C 58.2(11) . . ?
C6C B9C B11C 107.8(14) . . ?
B12C B9C B11C 63.8(12) . . ?
C6C B9C B2C 55.3(12) . . ?
B12C B9C B2C 109.5(15) . . ?
B11C B9C B2C 118.8(16) . . ?
C6C B9C B5C 104.8(14) . . ?
B12C B9C B5C 109.8(14) . . ?
B11C B9C B5C 59.8(11) . . ?
B2C B9C B5C 69.0(13) . . ?
C6C B9C H9C 127.4 . . ?
B12C B9C H9C 120.9 . . ?
B11C B9C H9C 117.3 . . ?
B2C B9C H9C 116.1 . . ?
B5C B9C H9C 120.2 . . ?
C6C B10C B13C 105.6(12) . . ?
C6C B10C B12C 56.2(10) . . ?
B13C B10C B12C 59.4(11) . . ?
C6C B10C B7C 115.7(15) . . ?
B13C B10C B7C 58.9(12) . . ?
B12C B10C B7C 109.5(15) . . ?
C6C B10C Sn4C 80.1(9) . . ?
B13C B10C Sn4C 123.8(12) . . ?
B12C B10C Sn4C 131.2(11) . . ?
B7C B10C Sn4C 68.2(10) . . ?
C6C B10C H10C 118.1 . . ?
B13C B10C H10C 123.4 . . ?
B12C B10C H10C 119.5 . . ?
B7C B10C H10C 121.0 . . ?
Sn4C B10C H10C 98.7 . . ?
B8C B11C B9C 116.2(15) . . ?
B8C B11C B13C 59.8(11) . . ?
B9C B11C B13C 107.1(14) . . ?
B8C B11C B5C 64.4(11) . . ?
B9C B11C B5C 64.6(12) . . ?
B13C B11C B5C 109.7(14) . . ?
B8C B11C B12C 108.7(14) . . ?
B9C B11C B12C 57.7(11) . . ?
B13C B11C B12C 58.2(10) . . ?
B5C B11C B12C 108.8(14) . . ?
B8C B11C H11C 117.5 . . ?
B9C B11C H11C 119.0 . . ?
B13C B11C H11C 123.5 . . ?
B5C B11C H11C 118.3 . . ?
B12C B11C H11C 124.0 . . ?
C6C B12C B9C 59.7(12) . . ?
C6C B12C B13C 109.4(15) . . ?
B9C B12C B13C 108.7(16) . . ?
C6C B12C B10C 60.5(11) . . ?
B9C B12C B10C 107.2(15) . . ?
B13C B12C B10C 59.7(10) . . ?
C6C B12C B11C 104.9(15) . . ?
B9C B12C B11C 58.5(12) . . ?
B13C B12C B11C 59.3(11) . . ?
B10C B12C B11C 103.9(14) . . ?
C6C B12C H12C 121.7 . . ?
B9C B12C H12C 121.8 . . ?
B13C B12C H12C 120.5 . . ?
B10C B12C H12C 123.1 . . ?
B11C B12C H12C 125.0 . . ?
B8C B13C B7C 58.9(12) . . ?
B8C B13C B12C 111.1(14) . . ?
B7C B13C B12C 113.4(15) . . ?
B8C B13C B10C 107.2(14) . . ?
B7C B13C B10C 62.0(12) . . ?
B12C B13C B10C 60.9(11) . . ?
B8C B13C B11C 58.4(10) . . ?
B7C B13C B11C 106.9(15) . . ?
B12C B13C B11C 62.4(11) . . ?
B10C B13C B11C 107.1(13) . . ?
B8C B13C H13C 122.5 . . ?
B7C B13C H13C 120.2 . . ?
B12C B13C H13C 117.6 . . ?
B10C B13C H13C 122.0 . . ?
B11C B13C H13C 123.0 . . ?

_diffrn_measured_fraction_theta_max    0.854
_diffrn_reflns_theta_full              25.03
_diffrn_measured_fraction_theta_full   0.854
_refine_diff_density_max    1.493
_refine_diff_density_min   -1.881
_refine_diff_density_rms    0.230


#===END

data_2
_database_code_CSD                  173829

_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
'C4 H16 B10 Sn'
_chemical_formula_weight          290.96

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'
'Sn'  'Sn'  -0.6537   1.4246
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting            Monoclinic
_symmetry_space_group_name_H-M    P2(1)/n

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                    7.0815(5)
_cell_length_b                    13.0311(9)
_cell_length_c                    12.5779(12)
_cell_angle_alpha                 90.00
_cell_angle_beta                  94.228(7)
_cell_angle_gamma                 90.00
_cell_volume                      1157.61(13)
_cell_formula_units_Z             4
_cell_measurement_temperature     160(2)
_cell_measurement_reflns_used     27
_cell_measurement_theta_min       4.98
_cell_measurement_theta_max       12.41

_exptl_crystal_description        plate
_exptl_crystal_colour             colourless
_exptl_crystal_size_max           0.72
_exptl_crystal_size_mid           0.42
_exptl_crystal_size_min           0.14
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.669
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              560
_exptl_absorpt_coefficient_mu     2.153
_exptl_absorpt_correction_type    psi-scan
_exptl_absorpt_correction_T_min   0.349
_exptl_absorpt_correction_T_max   0.740
_exptl_absorpt_process_details    '(North et al., 1968)'

_exptl_special_details
;
?
;

_diffrn_ambient_temperature       160(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   'Bruker P4'
_diffrn_measurement_method        '\w scans'
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_number          3
_diffrn_standards_interval_count  97
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         0
_diffrn_reflns_number             2816
_diffrn_reflns_av_R_equivalents   0.0448
_diffrn_reflns_av_sigmaI/netI     0.0391
_diffrn_reflns_limit_h_min        -8
_diffrn_reflns_limit_h_max        1
_diffrn_reflns_limit_k_min        -1
_diffrn_reflns_limit_k_max        15
_diffrn_reflns_limit_l_min        -14
_diffrn_reflns_limit_l_max        14
_diffrn_reflns_theta_min          2.25
_diffrn_reflns_theta_max          25.00
_reflns_number_total              2044
_reflns_number_gt                 1917
_reflns_threshold_expression      >2sigma(I)

_computing_data_collection        'Bruker XSCANS'
_computing_cell_refinement        'Bruker XSCANS'
_computing_data_reduction         'Bruker SHELXTL'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'Bruker SHELXTL'
_computing_publication_material   'Bruker SHELXTL'

_refine_special_details
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR
and
goodness of fit S are based on F^2^, conventional R-factors R are based

on F, with F set to zero for negative F^2^. The threshold expression of

F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and
is
not relevant to the choice of reflections for refinement.  R-factors
based
on F^2^ are statistically about twice as large as those based on F, and
R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0565P)^2^+1.3219P] where P=(Fo^2^+2Fc^2^)/3'

_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     mixed
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          2044
_refine_ls_number_parameters      166
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0363
_refine_ls_R_factor_gt            0.0343
_refine_ls_wR_factor_ref          0.0933
_refine_ls_wR_factor_gt           0.0914
_refine_ls_goodness_of_fit_ref    1.068
_refine_ls_restrained_S_all       1.068
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000

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
Sn4 Sn 0.18101(3) 0.347581(18) 0.200750(18) 0.02003(14) Uani 1 1 d . . .

C1 C 0.3197(5) 0.3658(3) 0.3806(3) 0.0173(7) Uani 1 1 d . . .
B2 B 0.4842(5) 0.4071(3) 0.3193(3) 0.0165(7) Uani 1 1 d . . .
H2 H 0.522(6) 0.487(3) 0.326(3) 0.020 Uiso 1 1 d . . .
C11 C 0.2317(5) 0.4399(3) 0.4568(3) 0.0231(8) Uani 1 1 d . . .
H11A H 0.1369 0.4806 0.4181 0.035 Uiso 1 1 calc R . .
H11B H 0.3283 0.4840 0.4890 0.035 Uiso 1 1 calc R . .
H11C H 0.1747 0.4017 0.5113 0.035 Uiso 1 1 calc R . .
B3 B 0.2548(5) 0.2518(3) 0.3796(3) 0.0204(8) Uani 1 1 d . . .
H3 H 0.145(6) 0.229(3) 0.433(3) 0.024 Uiso 1 1 d . . .
B5 B 0.5147(5) 0.2879(3) 0.4240(3) 0.0171(7) Uani 1 1 d . . .
H5 H 0.555(6) 0.310(3) 0.502(3) 0.021 Uiso 1 1 d . . .
C6 C 0.5592(5) 0.3452(2) 0.2104(3) 0.0150(7) Uani 1 1 d . . .
B7 B 0.2921(6) 0.1766(3) 0.2580(3) 0.0177(8) Uani 1 1 d . . .
H7 H 0.174(6) 0.118(4) 0.232(4) 0.021 Uiso 1 1 d . . .
B8 B 0.4349(6) 0.1559(3) 0.3773(4) 0.0194(9) Uani 1 1 d . . .
H8 H 0.417(6) 0.090(3) 0.434(3) 0.023 Uiso 1 1 d . . .
B9 B 0.6937(6) 0.3261(3) 0.3238(3) 0.0183(8) Uani 1 1 d . . .
H9 H 0.812(6) 0.373(3) 0.342(4) 0.022 Uiso 1 1 d . . .
B10 B 0.4438(5) 0.2357(3) 0.1675(3) 0.0172(8) Uani 1 1 d . . .
H10 H 0.429(5) 0.224(3) 0.077(3) 0.021 Uiso 1 1 d . . .
B11 B 0.6657(5) 0.1980(3) 0.3599(3) 0.0192(8) Uani 1 1 d . . .
H11 H 0.765(7) 0.162(3) 0.401(4) 0.023 Uiso 1 1 d . . .
B12 B 0.6819(5) 0.2349(3) 0.2230(3) 0.0182(8) Uani 1 1 d . . .
H12 H 0.808(6) 0.220(3) 0.173(3) 0.022 Uiso 1 1 d . . .
B13 B 0.5262(6) 0.1340(3) 0.2533(4) 0.0193(8) Uani 1 1 d . . .
H13 H 0.561(6) 0.057(3) 0.224(3) 0.023 Uiso 1 1 d . . .
C61 C 0.6230(5) 0.4213(3) 0.1272(3) 0.0240(8) Uani 1 1 d . . .
H61A H 0.7127 0.3886 0.0846 0.036 Uiso 1 1 calc R . .
H61B H 0.6811 0.4798 0.1627 0.036 Uiso 1 1 calc R . .
H61C H 0.5152 0.4433 0.0821 0.036 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Sn4 0.0183(2) 0.0207(2) 0.0201(2) -0.00068(8) -0.00548(12) 0.00384(8)
C1 0.0172(17) 0.0198(17) 0.0137(17) -0.0025(13) -0.0070(13) 0.0050(14)
B2 0.0173(17) 0.0106(17) 0.0206(18) 0.0000(14) -0.0046(14) 0.0024(14)
C11 0.0259(18) 0.0233(18) 0.0201(17) -0.0053(14) 0.0012(14) 0.0065(15)
B3 0.0173(18) 0.0217(19) 0.022(2) -0.0005(16) -0.0011(15) 0.0000(16)
B5 0.0187(18) 0.0151(18) 0.0168(18) 0.0022(15) -0.0028(14) 0.0041(15)
C6 0.0139(16) 0.0148(17) 0.0160(18) -0.0013(12) -0.0011(13) -0.0002(11)
B7 0.0193(19) 0.0147(17) 0.019(2) -0.0017(16) -0.0023(15) -0.0028(16)
B8 0.022(2) 0.013(2) 0.023(2) 0.0007(14) -0.0007(17) -0.0005(14)
B9 0.0154(18) 0.0155(17) 0.023(2) -0.0020(16) -0.0053(15) -0.0020(15)
B10 0.0180(18) 0.0171(19) 0.0161(18) -0.0037(15) -0.0004(14) -0.0007(15)

B11 0.0190(18) 0.0161(19) 0.022(2) -0.0012(15) -0.0041(15) 0.0046(15)
B12 0.0154(18) 0.015(2) 0.0232(18) -0.0027(15) -0.0011(14) 0.0016(14)
B13 0.0183(18) 0.0139(17) 0.025(2) -0.0022(15) -0.0022(16) -0.0008(15)
C61 0.0286(18) 0.0207(18) 0.0230(18) 0.0047(15) 0.0029(14) -0.0063(15)

_geom_special_details
;
All esds (except the esd in the dihedral angle between two l.s. planes)

are estimated using the full covariance matrix.  The cell esds are
taken
into account individually in the estimation of esds in distances,
angles
and torsion angles; correlations between esds in cell parameters are
only
used when they are defined by crystal symmetry.  An approximate
(isotropic)
treatment of cell esds is used for estimating esds involving l.s.
planes.
;

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
Sn4 C1 2.411(3) . ?
Sn4 B10 2.425(4) . ?
Sn4 B7 2.453(4) . ?
Sn4 B3 2.592(4) . ?
Sn4 B2 2.639(4) . ?
Sn4 C6 2.672(4) . ?
C1 C11 1.525(5) . ?
C1 B2 1.542(5) . ?
C1 B3 1.554(5) . ?
C1 B5 1.767(5) . ?
B2 C6 1.708(5) . ?
B2 B9 1.818(5) . ?
B2 B5 2.038(5) . ?
B2 H2 1.08(4) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
B3 B8 1.787(6) . ?
B3 B7 1.851(6) . ?
B3 B5 1.941(5) . ?
B3 H3 1.10(4) . ?
B5 B11 1.815(5) . ?
B5 B8 1.891(6) . ?
B5 B9 1.918(6) . ?
B5 H5 1.04(4) . ?
C6 C61 1.534(5) . ?
C6 B9 1.675(5) . ?
C6 B12 1.682(5) . ?
C6 B10 1.712(5) . ?
B7 B13 1.753(6) . ?
B7 B8 1.767(6) . ?
B7 B10 1.796(5) . ?
B7 H7 1.16(4) . ?
B8 B11 1.754(6) . ?
B8 B13 1.755(6) . ?
B8 H8 1.13(4) . ?
B9 B12 1.736(6) . ?
B9 B11 1.744(6) . ?
B9 H9 1.05(4) . ?
B10 B12 1.777(5) . ?
B10 B13 1.779(6) . ?
B10 H10 1.15(4) . ?
B11 B12 1.799(6) . ?
B11 B13 1.810(6) . ?
B11 H11 0.96(5) . ?
B12 B13 1.775(6) . ?
B12 H12 1.14(4) . ?
B13 H13 1.10(4) . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?

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
C1 Sn4 B10 87.49(12) . . ?
C1 Sn4 B7 73.39(13) . . ?
B10 Sn4 B7 43.20(13) . . ?
C1 Sn4 B3 35.97(12) . . ?
B10 Sn4 B3 75.64(13) . . ?
B7 Sn4 B3 42.95(13) . . ?
C1 Sn4 B2 35.19(12) . . ?
B10 Sn4 B2 70.81(12) . . ?
B7 Sn4 B2 82.60(12) . . ?
B3 Sn4 B2 63.10(12) . . ?
C1 Sn4 C6 67.73(12) . . ?
B10 Sn4 C6 38.86(11) . . ?
B7 Sn4 C6 71.20(11) . . ?
B3 Sn4 C6 79.50(12) . . ?
B2 Sn4 C6 37.50(11) . . ?
C11 C1 B2 116.9(3) . . ?
C11 C1 B3 118.4(3) . . ?
B2 C1 B3 124.3(3) . . ?
C11 C1 B5 121.0(3) . . ?
B2 C1 B5 75.7(2) . . ?
B3 C1 B5 71.2(2) . . ?
C11 C1 Sn4 119.7(2) . . ?
B2 C1 Sn4 80.5(2) . . ?
B3 C1 Sn4 78.4(2) . . ?
B5 C1 Sn4 119.2(2) . . ?
C1 B2 C6 121.8(3) . . ?
C1 B2 B9 115.2(3) . . ?
C6 B2 B9 56.6(2) . . ?
C1 B2 B5 57.2(2) . . ?
C6 B2 B5 97.7(2) . . ?
B9 B2 B5 59.3(2) . . ?
C1 B2 Sn4 64.30(18) . . ?
C6 B2 Sn4 72.31(17) . . ?
B9 B2 Sn4 118.4(2) . . ?
B5 B2 Sn4 100.60(18) . . ?
C1 B2 H2 119(2) . . ?
C6 B2 H2 116(2) . . ?
B9 B2 H2 111(2) . . ?
B5 B2 H2 132(2) . . ?
Sn4 B2 H2 121(2) . . ?
C1 C11 H11A 109.5 . . ?
C1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C1 B3 B8 117.2(3) . . ?
C1 B3 B7 116.9(3) . . ?
B8 B3 B7 58.1(2) . . ?
C1 B3 B5 59.5(2) . . ?
B8 B3 B5 60.8(2) . . ?
B7 B3 B5 100.2(2) . . ?
C1 B3 Sn4 65.66(19) . . ?
B8 B3 Sn4 114.9(2) . . ?
B7 B3 Sn4 64.53(17) . . ?
B5 B3 Sn4 105.0(2) . . ?
C1 B3 H3 119(2) . . ?
B8 B3 H3 111(2) . . ?
B7 B3 H3 120(2) . . ?
B5 B3 H3 126(2) . . ?
Sn4 B3 H3 124(2) . . ?
C1 B5 B11 134.9(3) . . ?
C1 B5 B8 102.6(3) . . ?
B11 B5 B8 56.4(2) . . ?
C1 B5 B9 100.8(2) . . ?
B11 B5 B9 55.6(2) . . ?
B8 B5 B9 103.2(3) . . ?
C1 B5 B3 49.28(19) . . ?
B11 B5 B3 107.0(3) . . ?
B8 B5 B3 55.6(2) . . ?
B9 B5 B3 122.2(3) . . ?
C1 B5 B2 47.15(18) . . ?
B11 B5 B2 104.0(2) . . ?
B8 B5 B2 118.5(3) . . ?
B9 B5 B2 54.63(19) . . ?
B3 B5 B2 86.9(2) . . ?
C1 B5 H5 107(2) . . ?
B11 B5 H5 118(2) . . ?
B8 B5 H5 127(2) . . ?
B9 B5 H5 114(2) . . ?
B3 B5 H5 122(2) . . ?
B2 B5 H5 114(3) . . ?
C61 C6 B9 120.0(3) . . ?
C61 C6 B12 116.2(3) . . ?
B9 C6 B12 62.3(2) . . ?
C61 C6 B2 111.5(3) . . ?
B9 C6 B2 65.0(2) . . ?
B12 C6 B2 121.1(3) . . ?
C61 C6 B10 118.8(3) . . ?
B9 C6 B10 111.9(3) . . ?
B12 C6 B10 63.1(2) . . ?
B2 C6 B10 118.5(3) . . ?
C61 C6 Sn4 107.8(2) . . ?
B9 C6 Sn4 123.1(2) . . ?
B12 C6 Sn4 121.6(2) . . ?
B2 C6 Sn4 70.19(17) . . ?
B10 C6 Sn4 62.73(17) . . ?
B13 B7 B8 59.8(2) . . ?
B13 B7 B10 60.2(2) . . ?
B8 B7 B10 105.8(3) . . ?
B13 B7 B3 112.8(3) . . ?
B8 B7 B3 59.1(2) . . ?
B10 B7 B3 115.1(3) . . ?
B13 B7 Sn4 124.1(2) . . ?
B8 B7 Sn4 122.6(2) . . ?
B10 B7 Sn4 67.56(18) . . ?
B3 B7 Sn4 72.52(19) . . ?
B13 B7 H7 116(2) . . ?
B8 B7 H7 119(2) . . ?
B10 B7 H7 124(2) . . ?
B3 B7 H7 116(2) . . ?
Sn4 B7 H7 108(2) . . ?
B11 B8 B13 62.1(2) . . ?
B11 B8 B7 109.1(3) . . ?
B13 B8 B7 59.7(2) . . ?
B11 B8 B3 117.1(3) . . ?
B13 B8 B3 116.0(3) . . ?
B7 B8 B3 62.8(2) . . ?
B11 B8 B5 59.6(2) . . ?
B13 B8 B5 107.6(3) . . ?
B7 B8 B5 105.3(3) . . ?
B3 B8 B5 63.6(2) . . ?
B11 B8 H8 118(2) . . ?
B13 B8 H8 120(2) . . ?
B7 B8 H8 125(2) . . ?
B3 B8 H8 114(2) . . ?
B5 B8 H8 123(2) . . ?
C6 B9 B12 59.1(2) . . ?
C6 B9 B11 107.2(3) . . ?
B12 B9 B11 62.3(2) . . ?
C6 B9 B2 58.4(2) . . ?
B12 B9 B2 112.3(3) . . ?
B11 B9 B2 117.1(3) . . ?
C6 B9 B5 103.7(3) . . ?
B12 B9 B5 107.7(3) . . ?
B11 B9 B5 59.2(2) . . ?
B2 B9 B5 66.0(2) . . ?
C6 B9 H9 120(3) . . ?
B12 B9 H9 123(2) . . ?
B11 B9 H9 127(2) . . ?
B2 B9 H9 108(2) . . ?
B5 B9 H9 125(3) . . ?
C6 B10 B12 57.6(2) . . ?
C6 B10 B13 107.6(3) . . ?
B12 B10 B13 59.9(2) . . ?
C6 B10 B7 116.9(3) . . ?
B12 B10 B7 110.1(3) . . ?
B13 B10 B7 58.7(2) . . ?
C6 B10 Sn4 78.41(18) . . ?
B12 B10 Sn4 130.9(2) . . ?
B13 B10 Sn4 124.4(2) . . ?
B7 B10 Sn4 69.24(18) . . ?
C6 B10 H10 115(2) . . ?
B12 B10 H10 114(2) . . ?
B13 B10 H10 120(2) . . ?
B7 B10 H10 124(2) . . ?
Sn4 B10 H10 104(2) . . ?
B9 B11 B8 117.2(3) . . ?
B9 B11 B12 58.6(2) . . ?
B8 B11 B12 109.2(3) . . ?
B9 B11 B13 108.3(3) . . ?
B8 B11 B13 59.0(2) . . ?
B12 B11 B13 58.9(2) . . ?
B9 B11 B5 65.2(2) . . ?
B8 B11 B5 64.0(2) . . ?
B12 B11 B5 109.5(3) . . ?
B13 B11 B5 108.6(3) . . ?
B9 B11 H11 121(3) . . ?
B8 B11 H11 116(3) . . ?
B12 B11 H11 123(3) . . ?
B13 B11 H11 121(3) . . ?
B5 B11 H11 120(3) . . ?
C6 B12 B9 58.7(2) . . ?
C6 B12 B13 109.2(3) . . ?
B9 B12 B13 110.3(3) . . ?
C6 B12 B10 59.2(2) . . ?
B9 B12 B10 106.0(3) . . ?
B13 B12 B10 60.1(2) . . ?
C6 B12 B11 104.5(3) . . ?
B9 B12 B11 59.1(2) . . ?
B13 B12 B11 60.9(2) . . ?
B10 B12 B11 104.6(3) . . ?
C6 B12 H12 121(2) . . ?
B9 B12 H12 121(2) . . ?
B13 B12 H12 121(2) . . ?
B10 B12 H12 123(2) . . ?
B11 B12 H12 126(2) . . ?
B7 B13 B8 60.5(2) . . ?
B7 B13 B12 112.2(3) . . ?
B8 B13 B12 110.2(3) . . ?
B7 B13 B10 61.1(2) . . ?
B8 B13 B10 107.0(3) . . ?
B12 B13 B10 60.0(2) . . ?
B7 B13 B11 107.2(3) . . ?
B8 B13 B11 58.9(2) . . ?
B12 B13 B11 60.2(2) . . ?
B10 B13 B11 104.1(3) . . ?
B7 B13 H13 122(2) . . ?
B8 B13 H13 123(2) . . ?
B12 B13 H13 117(2) . . ?
B10 B13 H13 123(2) . . ?
B11 B13 H13 123(2) . . ?
C6 C61 H61A 109.5 . . ?
C6 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C6 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
B10 Sn4 C1 C11 175.0(3) . . . . ?
B7 Sn4 C1 C11 -143.4(3) . . . . ?
B3 Sn4 C1 C11 -116.2(4) . . . . ?
B2 Sn4 C1 C11 115.6(4) . . . . ?
C6 Sn4 C1 C11 140.5(3) . . . . ?
B10 Sn4 C1 B2 59.4(2) . . . . ?
B7 Sn4 C1 B2 100.9(2) . . . . ?
B3 Sn4 C1 B2 128.1(3) . . . . ?
C6 Sn4 C1 B2 24.91(18) . . . . ?
B10 Sn4 C1 B3 -68.7(2) . . . . ?
B7 Sn4 C1 B3 -27.2(2) . . . . ?
B2 Sn4 C1 B3 -128.1(3) . . . . ?
C6 Sn4 C1 B3 -103.2(2) . . . . ?
B10 Sn4 C1 B5 -8.2(2) . . . . ?
B7 Sn4 C1 B5 33.3(2) . . . . ?
B3 Sn4 C1 B5 60.5(3) . . . . ?
B2 Sn4 C1 B5 -67.6(3) . . . . ?
C6 Sn4 C1 B5 -42.7(2) . . . . ?
C11 C1 B2 C6 -164.5(3) . . . . ?
B3 C1 B2 C6 22.9(5) . . . . ?
B5 C1 B2 C6 77.7(3) . . . . ?
Sn4 C1 B2 C6 -45.9(3) . . . . ?
C11 C1 B2 B9 130.6(3) . . . . ?
B3 C1 B2 B9 -42.0(5) . . . . ?
B5 C1 B2 B9 12.7(3) . . . . ?
Sn4 C1 B2 B9 -110.9(3) . . . . ?
C11 C1 B2 B5 117.8(3) . . . . ?
B3 C1 B2 B5 -54.8(3) . . . . ?
Sn4 C1 B2 B5 -123.60(19) . . . . ?
C11 C1 B2 Sn4 -118.6(3) . . . . ?
B3 C1 B2 Sn4 68.8(3) . . . . ?
B5 C1 B2 Sn4 123.60(19) . . . . ?
B10 Sn4 B2 C1 -114.4(2) . . . . ?
B7 Sn4 B2 C1 -71.6(2) . . . . ?
B3 Sn4 B2 C1 -31.20(19) . . . . ?
C6 Sn4 B2 C1 -140.2(3) . . . . ?
C1 Sn4 B2 C6 140.2(3) . . . . ?
B10 Sn4 B2 C6 25.76(17) . . . . ?
B7 Sn4 B2 C6 68.61(18) . . . . ?
B3 Sn4 B2 C6 109.0(2) . . . . ?
C1 Sn4 B2 B9 106.1(3) . . . . ?
B10 Sn4 B2 B9 -8.3(2) . . . . ?
B7 Sn4 B2 B9 34.6(3) . . . . ?
B3 Sn4 B2 B9 74.9(3) . . . . ?
C6 Sn4 B2 B9 -34.1(2) . . . . ?
C1 Sn4 B2 B5 45.4(2) . . . . ?
B10 Sn4 B2 B5 -69.02(19) . . . . ?
B7 Sn4 B2 B5 -26.18(19) . . . . ?
B3 Sn4 B2 B5 14.20(17) . . . . ?
C6 Sn4 B2 B5 -94.8(2) . . . . ?
C11 C1 B3 B8 -135.7(3) . . . . ?
B2 C1 B3 B8 36.8(5) . . . . ?
B5 C1 B3 B8 -19.9(3) . . . . ?
Sn4 C1 B3 B8 106.7(3) . . . . ?
C11 C1 B3 B7 158.2(3) . . . . ?
B2 C1 B3 B7 -29.3(5) . . . . ?
B5 C1 B3 B7 -86.0(3) . . . . ?
Sn4 C1 B3 B7 40.6(3) . . . . ?
C11 C1 B3 B5 -115.8(3) . . . . ?
B2 C1 B3 B5 56.7(3) . . . . ?
Sn4 C1 B3 B5 126.63(19) . . . . ?
C11 C1 B3 Sn4 117.6(3) . . . . ?
B2 C1 B3 Sn4 -69.9(3) . . . . ?
B5 C1 B3 Sn4 -126.63(19) . . . . ?
B10 Sn4 B3 C1 106.0(2) . . . . ?
B7 Sn4 B3 C1 140.0(3) . . . . ?
B2 Sn4 B3 C1 30.54(19) . . . . ?
C6 Sn4 B3 C1 66.4(2) . . . . ?
C1 Sn4 B3 B8 -110.1(3) . . . . ?
B10 Sn4 B3 B8 -4.1(2) . . . . ?
B7 Sn4 B3 B8 29.9(2) . . . . ?
B2 Sn4 B3 B8 -79.6(2) . . . . ?
C6 Sn4 B3 B8 -43.7(2) . . . . ?
C1 Sn4 B3 B7 -140.0(3) . . . . ?
B10 Sn4 B3 B7 -33.97(18) . . . . ?
B2 Sn4 B3 B7 -109.5(2) . . . . ?
C6 Sn4 B3 B7 -73.62(18) . . . . ?
C1 Sn4 B3 B5 -45.7(2) . . . . ?
B10 Sn4 B3 B5 60.3(2) . . . . ?
B7 Sn4 B3 B5 94.3(3) . . . . ?
B2 Sn4 B3 B5 -15.19(19) . . . . ?
C6 Sn4 B3 B5 20.6(2) . . . . ?
C11 C1 B5 B11 -175.7(4) . . . . ?
B2 C1 B5 B11 -62.7(4) . . . . ?
B3 C1 B5 B11 71.8(4) . . . . ?
Sn4 C1 B5 B11 7.5(5) . . . . ?
C11 C1 B5 B8 129.5(3) . . . . ?
B2 C1 B5 B8 -117.4(3) . . . . ?
B3 C1 B5 B8 17.1(3) . . . . ?
Sn4 C1 B5 B8 -47.2(3) . . . . ?
C11 C1 B5 B9 -124.1(3) . . . . ?
B2 C1 B5 B9 -11.1(3) . . . . ?
B3 C1 B5 B9 123.4(3) . . . . ?
Sn4 C1 B5 B9 59.2(3) . . . . ?
C11 C1 B5 B3 112.5(4) . . . . ?
B2 C1 B5 B3 -134.5(3) . . . . ?
Sn4 C1 B5 B3 -64.3(2) . . . . ?
C11 C1 B5 B2 -113.0(4) . . . . ?
B3 C1 B5 B2 134.5(3) . . . . ?
Sn4 C1 B5 B2 70.3(2) . . . . ?
B8 B3 B5 C1 159.7(3) . . . . ?
B7 B3 B5 C1 115.4(3) . . . . ?
Sn4 B3 B5 C1 49.2(2) . . . . ?
C1 B3 B5 B11 -135.3(3) . . . . ?
B8 B3 B5 B11 24.4(3) . . . . ?
B7 B3 B5 B11 -19.9(3) . . . . ?
Sn4 B3 B5 B11 -86.1(3) . . . . ?
C1 B3 B5 B8 -159.7(3) . . . . ?
B7 B3 B5 B8 -44.3(2) . . . . ?
Sn4 B3 B5 B8 -110.5(2) . . . . ?
C1 B3 B5 B9 -75.6(3) . . . . ?
B8 B3 B5 B9 84.1(3) . . . . ?
B7 B3 B5 B9 39.8(4) . . . . ?
Sn4 B3 B5 B9 -26.4(3) . . . . ?
C1 B3 B5 B2 -31.6(2) . . . . ?
B8 B3 B5 B2 128.1(3) . . . . ?
B7 B3 B5 B2 83.8(3) . . . . ?
Sn4 B3 B5 B2 17.6(2) . . . . ?
C6 B2 B5 C1 -123.1(3) . . . . ?
B9 B2 B5 C1 -166.6(3) . . . . ?
Sn4 B2 B5 C1 -49.8(2) . . . . ?
C1 B2 B5 B11 139.6(3) . . . . ?
C6 B2 B5 B11 16.4(3) . . . . ?
B9 B2 B5 B11 -27.0(2) . . . . ?
Sn4 B2 B5 B11 89.8(2) . . . . ?
C1 B2 B5 B8 80.4(3) . . . . ?
C6 B2 B5 B8 -42.7(3) . . . . ?
B9 B2 B5 B8 -86.2(3) . . . . ?
Sn4 B2 B5 B8 30.6(3) . . . . ?
C1 B2 B5 B9 166.6(3) . . . . ?
C6 B2 B5 B9 43.5(2) . . . . ?
Sn4 B2 B5 B9 116.8(2) . . . . ?
C1 B2 B5 B3 32.8(2) . . . . ?
C6 B2 B5 B3 -90.4(2) . . . . ?
B9 B2 B5 B3 -133.8(3) . . . . ?
Sn4 B2 B5 B3 -17.0(2) . . . . ?
C1 B2 C6 C61 144.8(3) . . . . ?
B9 B2 C6 C61 -114.1(3) . . . . ?
B5 B2 C6 C61 -159.3(3) . . . . ?
Sn4 B2 C6 C61 102.0(3) . . . . ?
C1 B2 C6 B9 -101.1(3) . . . . ?
B5 B2 C6 B9 -45.1(2) . . . . ?
Sn4 B2 C6 B9 -143.8(2) . . . . ?
C1 B2 C6 B12 -72.8(4) . . . . ?
B9 B2 C6 B12 28.2(3) . . . . ?
B5 B2 C6 B12 -16.9(3) . . . . ?
Sn4 B2 C6 B12 -115.6(3) . . . . ?
C1 B2 C6 B10 1.4(5) . . . . ?
B9 B2 C6 B10 102.4(3) . . . . ?
B5 B2 C6 B10 57.3(3) . . . . ?
Sn4 B2 C6 B10 -41.4(3) . . . . ?
C1 B2 C6 Sn4 42.8(3) . . . . ?
B9 B2 C6 Sn4 143.8(2) . . . . ?
B5 B2 C6 Sn4 98.72(18) . . . . ?
C1 Sn4 C6 C61 -130.5(2) . . . . ?
B10 Sn4 C6 C61 113.8(3) . . . . ?
B7 Sn4 C6 C61 150.2(3) . . . . ?
B3 Sn4 C6 C61 -166.1(2) . . . . ?
B2 Sn4 C6 C61 -107.0(3) . . . . ?
C1 Sn4 C6 B9 16.2(2) . . . . ?
B10 Sn4 C6 B9 -99.5(3) . . . . ?
B7 Sn4 C6 B9 -63.1(2) . . . . ?
B3 Sn4 C6 B9 -19.4(2) . . . . ?
B2 Sn4 C6 B9 39.7(2) . . . . ?
C1 Sn4 C6 B12 91.6(3) . . . . ?
B10 Sn4 C6 B12 -24.1(2) . . . . ?
B7 Sn4 C6 B12 12.3(3) . . . . ?
B3 Sn4 C6 B12 56.0(3) . . . . ?
B2 Sn4 C6 B12 115.1(3) . . . . ?
C1 Sn4 C6 B2 -23.50(18) . . . . ?
B10 Sn4 C6 B2 -139.1(3) . . . . ?
B7 Sn4 C6 B2 -102.73(19) . . . . ?
B3 Sn4 C6 B2 -59.06(19) . . . . ?
C1 Sn4 C6 B10 115.6(2) . . . . ?
B7 Sn4 C6 B10 36.42(19) . . . . ?
B3 Sn4 C6 B10 80.1(2) . . . . ?
B2 Sn4 C6 B10 139.1(3) . . . . ?
C1 B3 B7 B13 79.3(4) . . . . ?
B8 B3 B7 B13 -27.5(3) . . . . ?
B5 B3 B7 B13 18.4(4) . . . . ?
Sn4 B3 B7 B13 120.3(3) . . . . ?
C1 B3 B7 B8 106.8(3) . . . . ?
B5 B3 B7 B8 45.9(2) . . . . ?
Sn4 B3 B7 B8 147.8(2) . . . . ?
C1 B3 B7 B10 12.8(4) . . . . ?
B8 B3 B7 B10 -94.0(3) . . . . ?
B5 B3 B7 B10 -48.1(3) . . . . ?
Sn4 B3 B7 B10 53.8(2) . . . . ?
C1 B3 B7 Sn4 -41.1(3) . . . . ?
B8 B3 B7 Sn4 -147.8(2) . . . . ?
B5 B3 B7 Sn4 -101.9(2) . . . . ?
C1 Sn4 B7 B13 -82.9(3) . . . . ?
B10 Sn4 B7 B13 21.6(3) . . . . ?
B3 Sn4 B7 B13 -106.2(3) . . . . ?
B2 Sn4 B7 B13 -48.2(3) . . . . ?
C6 Sn4 B7 B13 -11.4(3) . . . . ?
C1 Sn4 B7 B8 -9.7(3) . . . . ?
B10 Sn4 B7 B8 94.9(3) . . . . ?
B3 Sn4 B7 B8 -32.9(3) . . . . ?
B2 Sn4 B7 B8 25.1(3) . . . . ?
C6 Sn4 B7 B8 61.9(3) . . . . ?
C1 Sn4 B7 B10 -104.54(19) . . . . ?
B3 Sn4 B7 B10 -127.7(2) . . . . ?
B2 Sn4 B7 B10 -69.75(18) . . . . ?
C6 Sn4 B7 B10 -32.97(17) . . . . ?
C1 Sn4 B7 B3 23.21(17) . . . . ?
B10 Sn4 B7 B3 127.7(2) . . . . ?
B2 Sn4 B7 B3 57.99(18) . . . . ?
C6 Sn4 B7 B3 94.77(19) . . . . ?
B13 B7 B8 B11 39.2(3) . . . . ?
B10 B7 B8 B11 -1.1(4) . . . . ?
B3 B7 B8 B11 -111.4(3) . . . . ?
Sn4 B7 B8 B11 -74.3(3) . . . . ?
B10 B7 B8 B13 -40.3(3) . . . . ?
B3 B7 B8 B13 -150.5(3) . . . . ?
Sn4 B7 B8 B13 -113.4(3) . . . . ?
B13 B7 B8 B3 150.5(3) . . . . ?
B10 B7 B8 B3 110.2(3) . . . . ?
Sn4 B7 B8 B3 37.1(3) . . . . ?
B13 B7 B8 B5 101.7(3) . . . . ?
B10 B7 B8 B5 61.4(3) . . . . ?
B3 B7 B8 B5 -48.8(3) . . . . ?
Sn4 B7 B8 B5 -11.7(4) . . . . ?
C1 B3 B8 B11 -7.6(5) . . . . ?
B7 B3 B8 B11 98.6(4) . . . . ?
B5 B3 B8 B11 -27.3(3) . . . . ?
Sn4 B3 B8 B11 66.6(4) . . . . ?
C1 B3 B8 B13 -78.0(4) . . . . ?
B7 B3 B8 B13 28.2(3) . . . . ?
B5 B3 B8 B13 -97.7(3) . . . . ?
Sn4 B3 B8 B13 -3.8(4) . . . . ?
C1 B3 B8 B7 -106.2(3) . . . . ?
B5 B3 B8 B7 -125.9(3) . . . . ?
Sn4 B3 B8 B7 -32.0(2) . . . . ?
C1 B3 B8 B5 19.7(3) . . . . ?
B7 B3 B8 B5 125.9(3) . . . . ?
Sn4 B3 B8 B5 93.9(2) . . . . ?
C1 B5 B8 B11 136.1(3) . . . . ?
B9 B5 B8 B11 31.6(2) . . . . ?
B3 B5 B8 B11 151.8(3) . . . . ?
B2 B5 B8 B11 88.3(3) . . . . ?
C1 B5 B8 B13 95.2(3) . . . . ?
B11 B5 B8 B13 -40.9(3) . . . . ?
B9 B5 B8 B13 -9.3(3) . . . . ?
B3 B5 B8 B13 110.8(3) . . . . ?
B2 B5 B8 B13 47.4(4) . . . . ?
C1 B5 B8 B7 32.7(3) . . . . ?
B11 B5 B8 B7 -103.4(3) . . . . ?
B9 B5 B8 B7 -71.8(3) . . . . ?
B3 B5 B8 B7 48.3(3) . . . . ?
B2 B5 B8 B7 -15.1(4) . . . . ?
C1 B5 B8 B3 -15.7(3) . . . . ?
B11 B5 B8 B3 -151.8(3) . . . . ?
B9 B5 B8 B3 -120.1(3) . . . . ?
B2 B5 B8 B3 -63.4(3) . . . . ?
C61 C6 B9 B12 -105.8(3) . . . . ?
B2 C6 B9 B12 152.8(3) . . . . ?
B10 C6 B9 B12 40.4(3) . . . . ?
Sn4 C6 B9 B12 111.3(2) . . . . ?
C61 C6 B9 B11 -146.9(3) . . . . ?
B12 C6 B9 B11 -41.1(3) . . . . ?
B2 C6 B9 B11 111.7(3) . . . . ?
B10 C6 B9 B11 -0.7(4) . . . . ?
Sn4 C6 B9 B11 70.2(3) . . . . ?
C61 C6 B9 B2 101.4(3) . . . . ?
B12 C6 B9 B2 -152.8(3) . . . . ?
B10 C6 B9 B2 -112.3(3) . . . . ?
Sn4 C6 B9 B2 -41.5(2) . . . . ?
C61 C6 B9 B5 151.6(3) . . . . ?
B12 C6 B9 B5 -102.6(3) . . . . ?
B2 C6 B9 B5 50.2(2) . . . . ?
B10 C6 B9 B5 -62.2(3) . . . . ?
Sn4 C6 B9 B5 8.7(3) . . . . ?
C1 B2 B9 C6 112.8(3) . . . . ?
B5 B2 B9 C6 125.3(3) . . . . ?
Sn4 B2 B9 C6 39.7(2) . . . . ?
C1 B2 B9 B12 87.7(4) . . . . ?
C6 B2 B9 B12 -25.1(3) . . . . ?
B5 B2 B9 B12 100.2(3) . . . . ?
Sn4 B2 B9 B12 14.6(4) . . . . ?
C1 B2 B9 B11 18.5(4) . . . . ?
C6 B2 B9 B11 -94.3(3) . . . . ?
B5 B2 B9 B11 31.0(3) . . . . ?
Sn4 B2 B9 B11 -54.6(4) . . . . ?
C1 B2 B9 B5 -12.5(3) . . . . ?
C6 B2 B9 B5 -125.3(3) . . . . ?
Sn4 B2 B9 B5 -85.6(2) . . . . ?
C1 B5 B9 C6 -35.7(3) . . . . ?
B11 B5 B9 C6 102.1(3) . . . . ?
B8 B5 B9 C6 70.1(3) . . . . ?
B3 B5 B9 C6 12.7(4) . . . . ?
B2 B5 B9 C6 -45.7(2) . . . . ?
C1 B5 B9 B12 -97.1(3) . . . . ?
B11 B5 B9 B12 40.6(3) . . . . ?
B8 B5 B9 B12 8.7(3) . . . . ?
B3 B5 B9 B12 -48.8(4) . . . . ?
B2 B5 B9 B12 -107.1(3) . . . . ?
C1 B5 B9 B11 -137.8(3) . . . . ?
B8 B5 B9 B11 -32.0(2) . . . . ?
B3 B5 B9 B11 -89.4(3) . . . . ?
B2 B5 B9 B11 -147.7(3) . . . . ?
C1 B5 B9 B2 10.0(2) . . . . ?
B11 B5 B9 B2 147.7(3) . . . . ?
B8 B5 B9 B2 115.8(3) . . . . ?
B3 B5 B9 B2 58.3(3) . . . . ?
C61 C6 B10 B12 106.6(4) . . . . ?
B9 C6 B10 B12 -40.1(3) . . . . ?
B2 C6 B10 B12 -112.6(3) . . . . ?
Sn4 C6 B10 B12 -157.1(2) . . . . ?
C61 C6 B10 B13 141.0(3) . . . . ?
B9 C6 B10 B13 -5.6(4) . . . . ?
B12 C6 B10 B13 34.4(3) . . . . ?
B2 C6 B10 B13 -78.2(3) . . . . ?
Sn4 C6 B10 B13 -122.6(3) . . . . ?
C61 C6 B10 B7 -155.7(3) . . . . ?
B9 C6 B10 B7 57.6(4) . . . . ?
B12 C6 B10 B7 97.7(3) . . . . ?
B2 C6 B10 B7 -14.9(4) . . . . ?
Sn4 C6 B10 B7 -59.4(2) . . . . ?
C61 C6 B10 Sn4 -96.3(3) . . . . ?
B9 C6 B10 Sn4 117.0(3) . . . . ?
B12 C6 B10 Sn4 157.1(2) . . . . ?
B2 C6 B10 Sn4 44.5(3) . . . . ?
B13 B7 B10 C6 -95.1(3) . . . . ?
B8 B7 B10 C6 -55.0(4) . . . . ?
B3 B7 B10 C6 7.9(4) . . . . ?
Sn4 B7 B10 C6 64.3(3) . . . . ?
B13 B7 B10 B12 -32.1(3) . . . . ?
B8 B7 B10 B12 8.0(4) . . . . ?
B3 B7 B10 B12 70.9(4) . . . . ?
Sn4 B7 B10 B12 127.3(3) . . . . ?
B8 B7 B10 B13 40.1(3) . . . . ?
B3 B7 B10 B13 103.0(3) . . . . ?
Sn4 B7 B10 B13 159.4(2) . . . . ?
B13 B7 B10 Sn4 -159.4(2) . . . . ?
B8 B7 B10 Sn4 -119.3(2) . . . . ?
B3 B7 B10 Sn4 -56.4(2) . . . . ?
C1 Sn4 B10 C6 -56.62(19) . . . . ?
B7 Sn4 B10 C6 -124.8(3) . . . . ?
B3 Sn4 B10 C6 -91.0(2) . . . . ?
B2 Sn4 B10 C6 -24.94(17) . . . . ?
C1 Sn4 B10 B12 -30.8(3) . . . . ?
B7 Sn4 B10 B12 -99.0(4) . . . . ?
B3 Sn4 B10 B12 -65.3(3) . . . . ?
B2 Sn4 B10 B12 0.8(3) . . . . ?
C6 Sn4 B10 B12 25.8(3) . . . . ?
C1 Sn4 B10 B13 46.9(3) . . . . ?
B7 Sn4 B10 B13 -21.3(2) . . . . ?
B3 Sn4 B10 B13 12.5(3) . . . . ?
B2 Sn4 B10 B13 78.6(3) . . . . ?
C6 Sn4 B10 B13 103.5(3) . . . . ?
C1 Sn4 B10 B7 68.20(19) . . . . ?
B3 Sn4 B10 B7 33.79(18) . . . . ?
B2 Sn4 B10 B7 99.88(19) . . . . ?
C6 Sn4 B10 B7 124.8(3) . . . . ?
C6 B9 B11 B8 -57.3(4) . . . . ?
B12 B9 B11 B8 -96.9(3) . . . . ?
B2 B9 B11 B8 5.4(4) . . . . ?
B5 B9 B11 B8 38.7(3) . . . . ?
C6 B9 B11 B12 39.6(3) . . . . ?
B2 B9 B11 B12 102.3(3) . . . . ?
B5 B9 B11 B12 135.5(3) . . . . ?
C6 B9 B11 B13 6.6(4) . . . . ?
B12 B9 B11 B13 -33.0(3) . . . . ?
B2 B9 B11 B13 69.3(4) . . . . ?
B5 B9 B11 B13 102.5(3) . . . . ?
C6 B9 B11 B5 -95.9(3) . . . . ?
B12 B9 B11 B5 -135.5(3) . . . . ?
B2 B9 B11 B5 -33.2(3) . . . . ?
B13 B8 B11 B9 95.9(3) . . . . ?
B7 B8 B11 B9 57.8(4) . . . . ?
B3 B8 B11 B9 -10.7(5) . . . . ?
B5 B8 B11 B9 -39.1(3) . . . . ?
B13 B8 B11 B12 32.1(3) . . . . ?
B7 B8 B11 B12 -6.0(4) . . . . ?
B3 B8 B11 B12 -74.5(4) . . . . ?
B5 B8 B11 B12 -102.9(3) . . . . ?
B7 B8 B11 B13 -38.1(3) . . . . ?
B3 B8 B11 B13 -106.6(4) . . . . ?
B5 B8 B11 B13 -135.0(3) . . . . ?
B13 B8 B11 B5 135.0(3) . . . . ?
B7 B8 B11 B5 96.9(3) . . . . ?
B3 B8 B11 B5 28.4(3) . . . . ?
C1 B5 B11 B9 68.9(4) . . . . ?
B8 B5 B11 B9 141.8(3) . . . . ?
B3 B5 B11 B9 117.7(3) . . . . ?
B2 B5 B11 B9 26.7(2) . . . . ?
C1 B5 B11 B8 -72.9(4) . . . . ?
B9 B5 B11 B8 -141.8(3) . . . . ?
B3 B5 B11 B8 -24.1(3) . . . . ?
B2 B5 B11 B8 -115.1(3) . . . . ?
C1 B5 B11 B12 29.5(5) . . . . ?
B8 B5 B11 B12 102.4(3) . . . . ?
B9 B5 B11 B12 -39.4(2) . . . . ?
B3 B5 B11 B12 78.3(3) . . . . ?
B2 B5 B11 B12 -12.8(3) . . . . ?
C1 B5 B11 B13 -33.2(5) . . . . ?
B8 B5 B11 B13 39.7(3) . . . . ?
B9 B5 B11 B13 -102.1(3) . . . . ?
B3 B5 B11 B13 15.6(3) . . . . ?
B2 B5 B11 B13 -75.4(3) . . . . ?
C61 C6 B12 B9 111.8(3) . . . . ?
B2 C6 B12 B9 -29.0(3) . . . . ?
B10 C6 B12 B9 -137.6(3) . . . . ?
Sn4 C6 B12 B9 -113.6(3) . . . . ?
C61 C6 B12 B13 -145.6(3) . . . . ?
B9 C6 B12 B13 102.7(3) . . . . ?
B2 C6 B12 B13 73.7(4) . . . . ?
B10 C6 B12 B13 -34.9(3) . . . . ?
Sn4 C6 B12 B13 -10.9(4) . . . . ?
C61 C6 B12 B10 -110.7(3) . . . . ?
B9 C6 B12 B10 137.6(3) . . . . ?
B2 C6 B12 B10 108.6(3) . . . . ?
Sn4 C6 B12 B10 24.0(2) . . . . ?
C61 C6 B12 B11 150.7(3) . . . . ?
B9 C6 B12 B11 39.0(3) . . . . ?
B2 C6 B12 B11 10.0(4) . . . . ?
B10 C6 B12 B11 -98.6(3) . . . . ?
Sn4 C6 B12 B11 -74.6(3) . . . . ?
B11 B9 B12 C6 134.8(3) . . . . ?
B2 B9 B12 C6 24.9(3) . . . . ?
B5 B9 B12 C6 95.6(3) . . . . ?
C6 B9 B12 B13 -100.6(3) . . . . ?
B11 B9 B12 B13 34.2(3) . . . . ?
B2 B9 B12 B13 -75.7(4) . . . . ?
B5 B9 B12 B13 -5.0(4) . . . . ?
C6 B9 B12 B10 -37.1(3) . . . . ?
B11 B9 B12 B10 97.7(3) . . . . ?
B2 B9 B12 B10 -12.2(4) . . . . ?
B5 B9 B12 B10 58.5(3) . . . . ?
C6 B9 B12 B11 -134.8(3) . . . . ?
B2 B9 B12 B11 -109.9(3) . . . . ?
B5 B9 B12 B11 -39.2(2) . . . . ?
B13 B10 B12 C6 -141.5(3) . . . . ?
B7 B10 B12 C6 -109.8(3) . . . . ?
Sn4 B10 B12 C6 -30.3(3) . . . . ?
C6 B10 B12 B9 36.8(3) . . . . ?
B13 B10 B12 B9 -104.6(3) . . . . ?
B7 B10 B12 B9 -72.9(3) . . . . ?
Sn4 B10 B12 B9 6.5(4) . . . . ?
C6 B10 B12 B13 141.5(3) . . . . ?
B7 B10 B12 B13 31.7(3) . . . . ?
Sn4 B10 B12 B13 111.2(3) . . . . ?
C6 B10 B12 B11 98.3(3) . . . . ?
B13 B10 B12 B11 -43.1(3) . . . . ?
B7 B10 B12 B11 -11.4(3) . . . . ?
Sn4 B10 B12 B11 68.0(4) . . . . ?
B9 B11 B12 C6 -38.7(2) . . . . ?
B8 B11 B12 C6 72.0(3) . . . . ?
B13 B11 B12 C6 104.1(3) . . . . ?
B5 B11 B12 C6 3.7(3) . . . . ?
B8 B11 B12 B9 110.8(3) . . . . ?
B13 B11 B12 B9 142.9(3) . . . . ?
B5 B11 B12 B9 42.4(3) . . . . ?
B9 B11 B12 B13 -142.9(3) . . . . ?
B8 B11 B12 B13 -32.1(3) . . . . ?
B5 B11 B12 B13 -100.5(3) . . . . ?
B9 B11 B12 B10 -100.2(3) . . . . ?
B8 B11 B12 B10 10.6(3) . . . . ?
B13 B11 B12 B10 42.7(2) . . . . ?
B5 B11 B12 B10 -57.7(3) . . . . ?
B10 B7 B13 B8 134.1(3) . . . . ?
B3 B7 B13 B8 27.3(3) . . . . ?
Sn4 B7 B13 B8 111.0(3) . . . . ?
B8 B7 B13 B12 -101.4(3) . . . . ?
B10 B7 B13 B12 32.7(3) . . . . ?
B3 B7 B13 B12 -74.2(4) . . . . ?
Sn4 B7 B13 B12 9.6(4) . . . . ?
B8 B7 B13 B10 -134.1(3) . . . . ?
B3 B7 B13 B10 -106.9(3) . . . . ?
Sn4 B7 B13 B10 -23.1(3) . . . . ?
B8 B7 B13 B11 -37.2(3) . . . . ?
B10 B7 B13 B11 96.9(3) . . . . ?
B3 B7 B13 B11 -10.0(4) . . . . ?
Sn4 B7 B13 B11 73.8(3) . . . . ?
B11 B8 B13 B7 -137.5(3) . . . . ?
B3 B8 B13 B7 -29.1(3) . . . . ?
B5 B8 B13 B7 -97.8(3) . . . . ?
B11 B8 B13 B12 -32.8(3) . . . . ?
B7 B8 B13 B12 104.7(3) . . . . ?
B3 B8 B13 B12 75.6(4) . . . . ?
B5 B8 B13 B12 6.9(4) . . . . ?
B11 B8 B13 B10 -96.5(3) . . . . ?
B7 B8 B13 B10 41.1(3) . . . . ?
B3 B8 B13 B10 12.0(4) . . . . ?
B5 B8 B13 B10 -56.7(4) . . . . ?
B7 B8 B13 B11 137.5(3) . . . . ?
B3 B8 B13 B11 108.4(3) . . . . ?
B5 B8 B13 B11 39.7(3) . . . . ?
C6 B12 B13 B7 1.5(4) . . . . ?
B9 B12 B13 B7 64.2(4) . . . . ?
B10 B12 B13 B7 -33.1(3) . . . . ?
B11 B12 B13 B7 97.7(3) . . . . ?
C6 B12 B13 B8 -63.9(4) . . . . ?
B9 B12 B13 B8 -1.2(4) . . . . ?
B10 B12 B13 B8 -98.4(3) . . . . ?
B11 B12 B13 B8 32.3(3) . . . . ?
C6 B12 B13 B10 34.5(3) . . . . ?
B9 B12 B13 B10 97.3(3) . . . . ?
B11 B12 B13 B10 130.8(3) . . . . ?
C6 B12 B13 B11 -96.2(3) . . . . ?
B9 B12 B13 B11 -33.5(3) . . . . ?
B10 B12 B13 B11 -130.8(3) . . . . ?
C6 B10 B13 B7 111.2(3) . . . . ?
B12 B10 B13 B7 144.7(3) . . . . ?
Sn4 B10 B13 B7 23.4(3) . . . . ?
C6 B10 B13 B8 70.5(3) . . . . ?
B12 B10 B13 B8 104.0(3) . . . . ?
B7 B10 B13 B8 -40.8(3) . . . . ?
Sn4 B10 B13 B8 -17.3(4) . . . . ?
C6 B10 B13 B12 -33.5(3) . . . . ?
B7 B10 B13 B12 -144.7(3) . . . . ?
Sn4 B10 B13 B12 -121.3(3) . . . . ?
C6 B10 B13 B11 9.2(3) . . . . ?
B12 B10 B13 B11 42.7(3) . . . . ?
B7 B10 B13 B11 -102.1(3) . . . . ?
Sn4 B10 B13 B11 -78.6(3) . . . . ?
B9 B11 B13 B7 -73.3(3) . . . . ?
B8 B11 B13 B7 37.9(3) . . . . ?
B12 B11 B13 B7 -106.2(3) . . . . ?
B5 B11 B13 B7 -4.1(4) . . . . ?
B9 B11 B13 B8 -111.2(3) . . . . ?
B12 B11 B13 B8 -144.1(3) . . . . ?
B5 B11 B13 B8 -42.1(3) . . . . ?
B9 B11 B13 B12 32.9(3) . . . . ?
B8 B11 B13 B12 144.1(3) . . . . ?
B5 B11 B13 B12 102.1(3) . . . . ?
B9 B11 B13 B10 -9.7(4) . . . . ?
B8 B11 B13 B10 101.6(3) . . . . ?
B12 B11 B13 B10 -42.5(2) . . . . ?
B5 B11 B13 B10 59.5(3) . . . . ?

_diffrn_measured_fraction_theta_max    0.999
_diffrn_reflns_theta_full              25.00
_diffrn_measured_fraction_theta_full   0.999
_refine_diff_density_max    1.154
_refine_diff_density_min   -1.732
_refine_diff_density_rms    0.138


#===END