#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179854 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/50/7015059.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_7015059
loop_
_publ_author_name
'Melen, Rebecca L.'
'McPartlin, Mary'
'Wright, Dominic S.'
_publ_section_title
;
 An unexpected dependence on the Sn(II) base; reactions of Sn(NR(2))(2)
 with aromatic dithiols.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1649
_journal_page_last               1651
_journal_paper_doi               10.1039/c0dt01690j
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C18 H12 S6 Sn, 2(C2 H8 N), C2 H3 N'
_chemical_formula_sum            'C24 H31 N3 S6 Sn'
_chemical_formula_weight         672.57
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 97.770(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.7617(1)
_cell_length_b                   13.0775(2)
_cell_length_c                   28.9361(6)
_cell_measurement_reflns_used    19001
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      20.60
_cell_measurement_theta_min      1.02
_cell_volume                     2910.15(8)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius B.V. 1998)'
_computing_data_reduction
;
HKL Denzo and Scalepack (Otwinowski & Minor 1997)
;
_computing_publication_material  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_solution    'SIR-92 (Altomare et al. 1994)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'Thin slice ω and φ scans'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0212
_diffrn_reflns_av_sigmaI/netI    0.0271
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            9164
_diffrn_reflns_theta_full        20.59
_diffrn_reflns_theta_max         20.59
_diffrn_reflns_theta_min         3.53
_exptl_absorpt_coefficient_mu    1.327
_exptl_absorpt_correction_T_max  0.974
_exptl_absorpt_correction_T_min  0.903
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.322
_refine_diff_density_min         -0.400
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.441
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         2909
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.441
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0302
_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)+(0.0000P)²+10.2228P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.0871
_reflns_number_gt                2802
_reflns_number_total             2909
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01690J.TXT
_cod_data_source_block           dw0951
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7015059
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.21845(5) 0.51515(3) 0.346720(14) 0.02315(18) Uani 1 1 d . . .
S1 S 0.4783(2) 0.58882(13) 0.31539(6) 0.0313(4) Uani 1 1 d . . .
S2 S 0.15435(19) 0.44725(12) 0.26377(5) 0.0252(4) Uani 1 1 d . . .
S3 S 0.3992(2) 0.36759(13) 0.38097(6) 0.0380(5) Uani 1 1 d . . .
S4 S -0.0354(2) 0.41127(13) 0.36732(6) 0.0344(4) Uani 1 1 d . . .
S5 S 0.2843(2) 0.60494(13) 0.42401(6) 0.0322(4) Uani 1 1 d . . .
S6 S 0.0194(2) 0.66806(13) 0.32656(6) 0.0327(4) Uani 1 1 d . . .
N1 N 0.7317(9) 0.5850(6) 0.4195(2) 0.066(2) Uani 1 1 d . . .
H1A H 0.6244 0.5627 0.4058 0.079 Uiso 1 1 calc R . .
H1B H 0.8131 0.5599 0.4021 0.079 Uiso 1 1 calc R . .
N2 N -0.0757(7) 0.2292(4) 0.2828(2) 0.0424(15) Uani 1 1 d . . .
H2A H -0.0927 0.2199 0.2510 0.051 Uiso 1 1 calc R . .
H2B H -0.0599 0.2980 0.2884 0.051 Uiso 1 1 calc R . .
N3 N 0.6855(13) 1.0182(9) 0.4423(4) 0.127(4) Uani 1 1 d . . .
C11 C 0.5065(8) 0.4962(4) 0.2728(2) 0.0216(15) Uani 1 1 d . . .
C12 C 0.6712(8) 0.4854(5) 0.2592(2) 0.0268(16) Uani 1 1 d . . .
H12 H 0.7648 0.5256 0.2739 0.032 Uiso 1 1 calc R . .
C13 C 0.7005(8) 0.4173(5) 0.2248(2) 0.0323(17) Uani 1 1 d . . .
H13 H 0.8127 0.4124 0.2154 0.039 Uiso 1 1 calc R . .
C14 C 0.5667(8) 0.3560(5) 0.2041(2) 0.0355(18) Uani 1 1 d . . .
H14 H 0.5873 0.3087 0.1805 0.043 Uiso 1 1 calc R . .
C15 C 0.4045(8) 0.3633(5) 0.2175(2) 0.0271(16) Uani 1 1 d . . .
H15 H 0.3142 0.3193 0.2039 0.032 Uiso 1 1 calc R . .
C16 C 0.3703(7) 0.4348(5) 0.2509(2) 0.0247(15) Uani 1 1 d . . .
C21 C 0.2549(10) 0.3086(5) 0.4144(2) 0.0380(18) Uani 1 1 d . . .
C22 C 0.3266(13) 0.2372(6) 0.4486(3) 0.057(2) Uani 1 1 d . . .
H22 H 0.4491 0.2280 0.4539 0.068 Uiso 1 1 calc R . .
C23 C 0.2263(19) 0.1823(6) 0.4735(3) 0.077(3) Uani 1 1 d . . .
H23 H 0.2785 0.1342 0.4957 0.092 Uiso 1 1 calc R . .
C24 C 0.0484(19) 0.1946(7) 0.4673(3) 0.079(3) Uani 1 1 d . . .
H24 H -0.0218 0.1540 0.4846 0.095 Uiso 1 1 calc R . .
C25 C -0.0287(13) 0.2674(6) 0.4354(3) 0.057(2) Uani 1 1 d . . .
H25 H -0.1507 0.2782 0.4321 0.068 Uiso 1 1 calc R . .
C26 C 0.0739(10) 0.3242(5) 0.4085(2) 0.0396(19) Uani 1 1 d . . .
C31 C 0.2124(8) 0.7311(5) 0.4102(2) 0.0280(16) Uani 1 1 d . . .
C32 C 0.2665(9) 0.8080(5) 0.4428(2) 0.0362(18) Uani 1 1 d . . .
H32 H 0.3453 0.7909 0.4697 0.043 Uiso 1 1 calc R . .
C33 C 0.2093(10) 0.9070(6) 0.4371(3) 0.048(2) Uani 1 1 d . . .
H33 H 0.2485 0.9577 0.4595 0.058 Uiso 1 1 calc R . .
C34 C 0.0931(10) 0.9319(5) 0.3979(3) 0.0412(19) Uani 1 1 d . . .
H34 H 0.0487 0.9994 0.3939 0.049 Uiso 1 1 calc R . .
C35 C 0.0423(8) 0.8583(5) 0.3646(2) 0.0307(17) Uani 1 1 d . . .
H35 H -0.0337 0.8767 0.3373 0.037 Uiso 1 1 calc R . .
C36 C 0.0999(8) 0.7578(5) 0.3702(2) 0.0243(15) Uani 1 1 d . . .
C41 C 0.7662(13) 0.5415(8) 0.4663(3) 0.086(3) Uani 1 1 d . . .
H41A H 0.7584 0.4668 0.4644 0.129 Uiso 1 1 calc R . .
H41B H 0.6801 0.5673 0.4853 0.129 Uiso 1 1 calc R . .
H41C H 0.8830 0.5613 0.4807 0.129 Uiso 1 1 calc R . .
C42 C 0.7347(10) 0.6976(7) 0.4171(3) 0.062(3) Uani 1 1 d . . .
H42A H 0.7269 0.7192 0.3845 0.094 Uiso 1 1 calc R . .
H42B H 0.8433 0.7231 0.4345 0.094 Uiso 1 1 calc R . .
H42C H 0.6357 0.7254 0.4308 0.094 Uiso 1 1 calc R . .
C43 C -0.2346(10) 0.1964(6) 0.3017(3) 0.052(2) Uani 1 1 d . . .
H43A H -0.3326 0.2392 0.2885 0.077 Uiso 1 1 calc R . .
H43B H -0.2169 0.2034 0.3357 0.077 Uiso 1 1 calc R . .
H43C H -0.2596 0.1248 0.2933 0.077 Uiso 1 1 calc R . .
C44 C 0.0843(10) 0.1752(6) 0.3022(3) 0.0460(19) Uani 1 1 d . . .
H44A H 0.1819 0.2003 0.2871 0.069 Uiso 1 1 calc R . .
H44B H 0.0696 0.1016 0.2964 0.069 Uiso 1 1 calc R . .
H44C H 0.1079 0.1876 0.3358 0.069 Uiso 1 1 calc R . .
C45 C 0.5972(12) 1.0404(8) 0.4092(4) 0.070(3) Uani 1 1 d . . .
C46 C 0.4838(11) 1.0748(7) 0.3690(3) 0.066(2) Uani 1 1 d . . .
H46A H 0.3641 1.0547 0.3718 0.079 Uiso 1 1 calc R . .
H46B H 0.5193 1.0439 0.3409 0.079 Uiso 1 1 calc R . .
H46C H 0.4906 1.1495 0.3668 0.079 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
S3 Sn1 S1 90.25(6) . . ?
S3 Sn1 S5 88.41(6) . . ?
S1 Sn1 S5 93.74(6) . . ?
S3 Sn1 S4 84.58(6) . . ?
S1 Sn1 S4 168.43(6) . . ?
S5 Sn1 S4 96.45(6) . . ?
S3 Sn1 S2 97.57(6) . . ?
S1 Sn1 S2 81.81(5) . . ?
S5 Sn1 S2 172.53(6) . . ?
S4 Sn1 S2 88.60(5) . . ?
S3 Sn1 S6 169.70(6) . . ?
S1 Sn1 S6 96.20(6) . . ?
S5 Sn1 S6 83.18(5) . . ?
S4 Sn1 S6 90.45(6) . . ?
S2 Sn1 S6 91.30(5) . . ?
C11 S1 Sn1 99.8(2) . . ?
C16 S2 Sn1 99.3(2) . . ?
C21 S3 Sn1 101.0(2) . . ?
C26 S4 Sn1 100.7(2) . . ?
C31 S5 Sn1 102.4(2) . . ?
C36 S6 Sn1 102.3(2) . . ?
C41 N1 C42 115.4(7) . . ?
C41 N1 H1A 108.4 . . ?
C42 N1 H1A 108.4 . . ?
C41 N1 H1B 108.4 . . ?
C42 N1 H1B 108.4 . . ?
H1A N1 H1B 107.5 . . ?
C44 N2 C43 115.0(6) . . ?
C44 N2 H2A 108.5 . . ?
C43 N2 H2A 108.5 . . ?
C44 N2 H2B 108.5 . . ?
C43 N2 H2B 108.5 . . ?
H2A N2 H2B 107.5 . . ?
C12 C11 C16 118.5(6) . . ?
C12 C11 S1 118.2(5) . . ?
C16 C11 S1 123.3(4) . . ?
C13 C12 C11 121.1(6) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C12 C13 C14 120.0(6) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C15 C14 C13 120.1(6) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C16 120.7(6) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C15 C16 C11 119.5(5) . . ?
C15 C16 S2 118.7(5) . . ?
C11 C16 S2 121.8(5) . . ?
C26 C21 C22 118.1(7) . . ?
C26 C21 S3 124.8(5) . . ?
C22 C21 S3 117.0(6) . . ?
C23 C22 C21 121.8(9) . . ?
C23 C22 H22 119.1 . . ?
C21 C22 H22 119.1 . . ?
C22 C23 C24 120.9(9) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C23 C24 C25 119.7(8) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C26 C25 C24 120.2(9) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C21 119.3(7) . . ?
C25 C26 S4 117.2(7) . . ?
C21 C26 S4 123.5(5) . . ?
C36 C31 C32 118.3(6) . . ?
C36 C31 S5 124.3(5) . . ?
C32 C31 S5 117.4(5) . . ?
C33 C32 C31 122.2(7) . . ?
C33 C32 H32 118.9 . . ?
C31 C32 H32 118.9 . . ?
C32 C33 C34 118.9(7) . . ?
C32 C33 H33 120.5 . . ?
C34 C33 H33 120.5 . . ?
C35 C34 C33 119.9(7) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 121.4(6) . . ?
C34 C35 H35 119.3 . . ?
C36 C35 H35 119.3 . . ?
C35 C36 C31 119.2(6) . . ?
C35 C36 S6 117.8(5) . . ?
C31 C36 S6 123.0(5) . . ?
N1 C41 H41A 109.5 . . ?
N1 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
N1 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
N1 C42 H42A 109.5 . . ?
N1 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
N1 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
N2 C43 H43A 109.5 . . ?
N2 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
N2 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
N2 C44 H44A 109.5 . . ?
N2 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
N2 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
N3 C45 C46 176.2(12) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 S3 2.5094(18) . ?
Sn1 S1 2.5123(16) . ?
Sn1 S5 2.5165(17) . ?
Sn1 S4 2.5299(17) . ?
Sn1 S2 2.5444(16) . ?
Sn1 S6 2.5460(17) . ?
S1 C11 1.764(6) . ?
S2 C16 1.774(6) . ?
S3 C21 1.755(8) . ?
S4 C26 1.779(8) . ?
S5 C31 1.770(7) . ?
S6 C36 1.774(6) . ?
N1 C41 1.461(11) . ?
N1 C42 1.474(11) . ?
N1 H1A 0.9200 . ?
N1 H1B 0.9200 . ?
N2 C44 1.472(9) . ?
N2 C43 1.478(9) . ?
N2 H2A 0.9200 . ?
N2 H2B 0.9200 . ?
N3 C45 1.138(12) . ?
C11 C12 1.394(8) . ?
C11 C16 1.408(9) . ?
C12 C13 1.376(9) . ?
C12 H12 0.9500 . ?
C13 C14 1.383(9) . ?
C13 H13 0.9500 . ?
C14 C15 1.370(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.395(9) . ?
C15 H15 0.9500 . ?
C21 C26 1.407(10) . ?
C21 C22 1.418(10) . ?
C22 C23 1.339(13) . ?
C22 H22 0.9500 . ?
C23 C24 1.378(14) . ?
C23 H23 0.9500 . ?
C24 C25 1.402(14) . ?
C24 H24 0.9500 . ?
C25 C26 1.400(10) . ?
C25 H25 0.9500 . ?
C31 C36 1.398(9) . ?
C31 C32 1.403(9) . ?
C32 C33 1.372(10) . ?
C32 H32 0.9500 . ?
C33 C34 1.389(10) . ?
C33 H33 0.9500 . ?
C34 C35 1.380(9) . ?
C34 H34 0.9500 . ?
C35 C36 1.390(9) . ?
C35 H35 0.9500 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.434(13) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
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
S3 Sn1 S1 C11 68.0(2) . . . . ?
S5 Sn1 S1 C11 156.5(2) . . . . ?
S4 Sn1 S1 C11 4.8(4) . . . . ?
S2 Sn1 S1 C11 -29.6(2) . . . . ?
S6 Sn1 S1 C11 -120.0(2) . . . . ?
S3 Sn1 S2 C16 -59.1(2) . . . . ?
S1 Sn1 S2 C16 30.1(2) . . . . ?
S5 Sn1 S2 C16 83.9(5) . . . . ?
S4 Sn1 S2 C16 -143.4(2) . . . . ?
S6 Sn1 S2 C16 126.1(2) . . . . ?
S1 Sn1 S3 C21 171.3(2) . . . . ?
S5 Sn1 S3 C21 77.5(2) . . . . ?
S4 Sn1 S3 C21 -19.1(2) . . . . ?
S2 Sn1 S3 C21 -107.0(2) . . . . ?
S6 Sn1 S3 C21 42.3(4) . . . . ?
S3 Sn1 S4 C26 18.1(2) . . . . ?
S1 Sn1 S4 C26 81.8(4) . . . . ?
S5 Sn1 S4 C26 -69.7(2) . . . . ?
S2 Sn1 S4 C26 115.8(2) . . . . ?
S6 Sn1 S4 C26 -152.9(2) . . . . ?
S3 Sn1 S5 C31 167.8(2) . . . . ?
S1 Sn1 S5 C31 77.6(2) . . . . ?
S4 Sn1 S5 C31 -107.9(2) . . . . ?
S2 Sn1 S5 C31 24.4(5) . . . . ?
S6 Sn1 S5 C31 -18.2(2) . . . . ?
S3 Sn1 S6 C36 53.0(4) . . . . ?
S1 Sn1 S6 C36 -75.5(2) . . . . ?
S5 Sn1 S6 C36 17.5(2) . . . . ?
S4 Sn1 S6 C36 114.0(2) . . . . ?
S2 Sn1 S6 C36 -157.4(2) . . . . ?
Sn1 S1 C11 C12 -156.0(4) . . . . ?
Sn1 S1 C11 C16 25.9(5) . . . . ?
C16 C11 C12 C13 0.8(9) . . . . ?
S1 C11 C12 C13 -177.5(5) . . . . ?
C11 C12 C13 C14 -1.9(10) . . . . ?
C12 C13 C14 C15 0.4(10) . . . . ?
C13 C14 C15 C16 2.3(10) . . . . ?
C14 C15 C16 C11 -3.4(9) . . . . ?
C14 C15 C16 S2 175.5(5) . . . . ?
C12 C11 C16 C15 1.8(9) . . . . ?
S1 C11 C16 C15 -180.0(5) . . . . ?
C12 C11 C16 S2 -177.0(5) . . . . ?
S1 C11 C16 S2 1.2(8) . . . . ?
Sn1 S2 C16 C15 154.1(5) . . . . ?
Sn1 S2 C16 C11 -27.1(5) . . . . ?
Sn1 S3 C21 C26 18.6(6) . . . . ?
Sn1 S3 C21 C22 -164.1(5) . . . . ?
C26 C21 C22 C23 2.7(10) . . . . ?
S3 C21 C22 C23 -174.9(6) . . . . ?
C21 C22 C23 C24 -1.1(12) . . . . ?
C22 C23 C24 C25 -1.7(13) . . . . ?
C23 C24 C25 C26 2.8(12) . . . . ?
C24 C25 C26 C21 -1.1(10) . . . . ?
C24 C25 C26 S4 177.7(6) . . . . ?
C22 C21 C26 C25 -1.5(9) . . . . ?
S3 C21 C26 C25 175.8(5) . . . . ?
C22 C21 C26 S4 179.8(5) . . . . ?
S3 C21 C26 S4 -2.9(9) . . . . ?
Sn1 S4 C26 C25 166.7(5) . . . . ?
Sn1 S4 C26 C21 -14.6(6) . . . . ?
Sn1 S5 C31 C36 17.5(5) . . . . ?
Sn1 S5 C31 C32 -165.3(4) . . . . ?
C36 C31 C32 C33 1.6(10) . . . . ?
S5 C31 C32 C33 -175.7(5) . . . . ?
C31 C32 C33 C34 0.4(11) . . . . ?
C32 C33 C34 C35 -2.5(10) . . . . ?
C33 C34 C35 C36 2.4(10) . . . . ?
C34 C35 C36 C31 -0.3(9) . . . . ?
C34 C35 C36 S6 177.3(5) . . . . ?
C32 C31 C36 C35 -1.7(9) . . . . ?
S5 C31 C36 C35 175.4(5) . . . . ?
C32 C31 C36 S6 -179.2(5) . . . . ?
S5 C31 C36 S6 -2.1(8) . . . . ?
Sn1 S6 C36 C35 168.0(4) . . . . ?
Sn1 S6 C36 C31 -14.5(5) . . . . ?
