#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/87/2208795.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2208795
loop_
_publ_author_name
'Shahzadi, Saira'
'Ali, Saqib'
'Fettouhi, Mohammed'
_publ_section_title
Dimethylbis(4-methylpiperidine-1-dithiocarboxylato-κ²S,S')tin(IV)
_journal_coeditor_code           BI2007
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1178
_journal_page_last               m1180
_journal_paper_doi               10.1107/S1600536806014929
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Sn (C1 H3)2 (C7 H12 N1 S2)2]'
_chemical_formula_moiety         'C16 H30 N2 S4 Sn'
_chemical_formula_sum            'C16 H30 N2 S4 Sn'
_chemical_formula_weight         497.41
_chemical_melting_point          .415E-305
_chemical_name_systematic
;
Dimethylbis(4-methylpiperidine-1-dithiocarboxylato-κ²S,S')tin(IV)
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   19.432(3)
_cell_length_b                   12.512(2)
_cell_length_c                   37.267(6)
_cell_measurement_reflns_used    76764
_cell_measurement_temperature    295
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      1.09
_cell_volume                     9061(2)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1997)'
_diffrn_ambient_temperature      295
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1035
_diffrn_reflns_av_sigmaI/netI    0.0823
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            76764
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.09
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.497
_exptl_absorpt_correction_T_max  0.8998
_exptl_absorpt_correction_T_min  0.6378
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             4064
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.369
_refine_diff_density_min         -0.320
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     423
_refine_ls_number_reflns         11153
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.1467
_refine_ls_R_factor_gt           0.0577
_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)+(0.0381P)²+1.2271P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.1103
_reflns_number_gt                5552
_reflns_number_total             11153
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bi2007.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2208795
_cod_database_fobs_code          2208795
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Sn Sn1 0.727329(18) 0.03531(3) 0.209371(9) 0.05864(12) Uani d . 1
S S1 0.58759(8) -0.02888(11) 0.22835(5) 0.0802(5) Uani d . 1
S S2 0.64528(8) 0.18793(10) 0.22010(4) 0.0764(4) Uani d . 1
S S3 0.86322(7) -0.03895(10) 0.18739(4) 0.0689(4) Uani d . 1
S S4 0.81385(7) 0.18276(10) 0.19729(4) 0.0705(4) Uani d . 1
N N1 0.5127(2) 0.1467(4) 0.22439(12) 0.0709(12) Uani d . 1
N N2 0.9345(2) 0.1331(3) 0.16839(12) 0.0651(12) Uani d . 1
C C1 0.5738(3) 0.1050(4) 0.22453(13) 0.0605(14) Uani d . 1
C C2 0.4989(3) 0.2619(4) 0.22096(17) 0.0879(19) Uani d . 1
H H2A 0.5420 0.3008 0.2197 0.105 Uiso calc R 1
H H2B 0.4737 0.2868 0.2418 0.105 Uiso calc R 1
C C3 0.4573(3) 0.2829(5) 0.18756(19) 0.103(2) Uani d . 1
H H3A 0.4855 0.2672 0.1667 0.124 Uiso calc R 1
H H3B 0.4455 0.3581 0.1867 0.124 Uiso calc R 1
C C4 0.3913(4) 0.2173(6) 0.1852(2) 0.112(2) Uani d . 1
H H4 0.3627 0.2375 0.2058 0.134 Uiso calc R 1
C C5 0.3517(4) 0.2428(8) 0.1525(3) 0.194(5) Uani d . 1
H H5A 0.3770 0.2199 0.1318 0.291 Uiso calc R 1
H H5B 0.3442 0.3185 0.1513 0.291 Uiso calc R 1
H H5C 0.3082 0.2066 0.1533 0.291 Uiso calc R 1
C C6 0.4103(3) 0.1015(6) 0.1900(2) 0.104(2) Uani d . 1
H H6A 0.3687 0.0588 0.1902 0.125 Uiso calc R 1
H H6B 0.4380 0.0786 0.1698 0.125 Uiso calc R 1
C C7 0.4492(3) 0.0821(5) 0.22377(19) 0.098(2) Uani d . 1
H H7A 0.4207 0.1005 0.2442 0.117 Uiso calc R 1
H H7B 0.4608 0.0069 0.2255 0.117 Uiso calc R 1
C C8 0.6953(3) -0.0155(4) 0.15799(13) 0.0781(17) Uani d . 1
H H8A 0.7008 -0.0915 0.1561 0.117 Uiso calc R 1
H H8B 0.7228 0.0191 0.1400 0.117 Uiso calc R 1
H H8C 0.6478 0.0029 0.1545 0.117 Uiso calc R 1
C C9 0.7517(3) -0.0329(5) 0.25969(14) 0.0921(19) Uani d . 1
H H9A 0.7232 -0.0015 0.2779 0.138 Uiso calc R 1
H H9B 0.7992 -0.0195 0.2652 0.138 Uiso calc R 1
H H9C 0.7438 -0.1086 0.2589 0.138 Uiso calc R 1
C C10 0.8774(3) 0.0951(4) 0.18230(13) 0.0582(13) Uani d . 1
C C11 0.9875(3) 0.0647(4) 0.15238(15) 0.0759(17) Uani d . 1
H H11A 0.9849 0.0701 0.1265 0.091 Uiso calc R 1
H H11B 0.9786 -0.0091 0.1589 0.091 Uiso calc R 1
C C12 1.0586(3) 0.0951(4) 0.16450(15) 0.0766(16) Uani d . 1
H H12A 1.0922 0.0505 0.1524 0.092 Uiso calc R 1
H H12B 1.0629 0.0826 0.1901 0.092 Uiso calc R 1
C C13 1.0736(3) 0.2129(5) 0.15637(15) 0.0760(17) Uani d . 1
H H13 1.0710 0.2227 0.1303 0.091 Uiso calc R 1
C C14 1.1456(3) 0.2449(6) 0.16844(19) 0.126(3) Uani d . 1
H H14A 1.1557 0.3158 0.1600 0.189 Uiso calc R 1
H H14B 1.1786 0.1957 0.1587 0.189 Uiso calc R 1
H H14C 1.1480 0.2435 0.1942 0.189 Uiso calc R 1
Sn Sn2 0.554720(19) 0.84599(3) 0.042907(10) 0.06318(12) Uani d . 1
S S5 0.49893(7) 0.66309(11) 0.04465(4) 0.0750(4) Uani d . 1
S S6 0.40204(9) 0.83614(13) 0.02547(5) 0.0984(6) Uani d . 1
S S7 0.65688(7) 0.74664(10) 0.06668(4) 0.0723(4) Uani d . 1
S S8 0.67770(8) 0.97487(10) 0.04916(4) 0.0708(4) Uani d . 1
N N3 0.3674(2) 0.6313(4) 0.02967(12) 0.0802(14) Uani d . 1
N N4 0.7722(2) 0.8525(3) 0.08012(12) 0.0676(12) Uani d . 1
C C15 1.0182(3) 0.2805(4) 0.17333(15) 0.0772(16) Uani d . 1
H H15A 1.0258 0.3547 0.1670 0.093 Uiso calc R 1
H H15B 1.0217 0.2747 0.1992 0.093 Uiso calc R 1
C C16 0.9464(3) 0.2484(4) 0.16183(16) 0.0755(16) Uani d . 1
H H16A 0.9129 0.2900 0.1751 0.091 Uiso calc R 1
H H16B 0.9405 0.2636 0.1365 0.091 Uiso calc R 1
C C17 0.2947(3) 0.6604(5) 0.02556(19) 0.105(2) Uani d . 1
H H17A 0.2761 0.6277 0.0040 0.125 Uiso calc R 1
H H17B 0.2903 0.7373 0.0233 0.125 Uiso calc R 1
C C18 0.2552(3) 0.6217(7) 0.0582(2) 0.116(3) Uani d . 1
H H18A 0.2706 0.6616 0.0790 0.139 Uiso calc R 1
H H18B 0.2068 0.6372 0.0547 0.139 Uiso calc R 1
C C19 0.2632(4) 0.5042(7) 0.06579(19) 0.113(3) Uani d . 1
H H19 0.2435 0.4654 0.0454 0.136 Uiso calc R 1
C C20 0.2244(4) 0.4687(8) 0.0990(2) 0.174(4) Uani d . 1
H H20A 0.2280 0.3926 0.1015 0.261 Uiso calc R 1
H H20B 0.1768 0.4884 0.0968 0.261 Uiso calc R 1
H H20C 0.2438 0.5027 0.1198 0.261 Uiso calc R 1
C C21 0.3394(3) 0.4775(5) 0.06712(18) 0.103(2) Uani d . 1
H H21A 0.3593 0.5095 0.0884 0.123 Uiso calc R 1
H H21B 0.3448 0.4006 0.0691 0.123 Uiso calc R 1
C C22 0.3781(3) 0.5162(5) 0.03468(17) 0.093(2) Uani d . 1
H H22A 0.4268 0.5018 0.0377 0.112 Uiso calc R 1
H H22B 0.3624 0.4780 0.0136 0.112 Uiso calc R 1
C C23 0.4162(3) 0.7050(4) 0.03284(14) 0.0689(15) Uani d . 1
C C24 0.5167(3) 0.9382(4) 0.08611(14) 0.0773(16) Uani d . 1
H H24A 0.5022 1.0068 0.0774 0.116 Uiso calc R 1
H H24B 0.5524 0.9476 0.1037 0.116 Uiso calc R 1
H H24C 0.4783 0.9021 0.0969 0.116 Uiso calc R 1
C C25 0.5657(3) 0.8733(5) -0.01257(14) 0.099(2) Uani d . 1
H H25A 0.5216 0.8673 -0.0240 0.149 Uiso calc R 1
H H25B 0.5966 0.8214 -0.0225 0.149 Uiso calc R 1
H H25C 0.5838 0.9437 -0.0164 0.149 Uiso calc R 1
C C26 0.7099(3) 0.8601(3) 0.06691(13) 0.0569(13) Uani d . 1
C C27 0.7992(3) 0.7557(4) 0.09834(18) 0.0873(19) Uani d . 1
H H27A 0.7976 0.7662 0.1241 0.105 Uiso calc R 1
H H27B 0.7702 0.6950 0.0925 0.105 Uiso calc R 1
C C28 0.8701(3) 0.7326(4) 0.08748(18) 0.0883(19) Uani d . 1
H H28A 0.8702 0.7109 0.0625 0.106 Uiso calc R 1
H H28B 0.8871 0.6730 0.1016 0.106 Uiso calc R 1
C C29 0.9184(3) 0.8260(4) 0.09202(15) 0.0691(15) Uani d . 1
H H29 0.9193 0.8443 0.1176 0.083 Uiso calc R 1
C C30 0.9912(3) 0.8030(5) 0.08055(18) 0.110(2) Uani d . 1
H H30A 1.0056 0.7356 0.0904 0.166 Uiso calc R 1
H H30B 1.0210 0.8586 0.0891 0.166 Uiso calc R 1
H H30C 0.9935 0.8000 0.0548 0.166 Uiso calc R 1
C C31 0.8885(3) 0.9203(4) 0.07213(15) 0.0794(17) Uani d . 1
H H31A 0.9175 0.9822 0.0762 0.095 Uiso calc R 1
H H31B 0.8891 0.9051 0.0466 0.095 Uiso calc R 1
C C32 0.8174(3) 0.9469(4) 0.08287(17) 0.0798(17) Uani d . 1
H H32A 0.8172 0.9729 0.1074 0.096 Uiso calc R 1
H H32B 0.7998 1.0033 0.0675 0.096 Uiso calc R 1
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_publ_flag
C8 Sn1 C9 138.5(2) y
C8 Sn1 S2 100.70(16) y
C9 Sn1 S2 107.86(17) y
C8 Sn1 S4 104.66(15) y
C9 Sn1 S4 107.62(16) y
S2 Sn1 S4 84.05(5) y
C8 Sn1 S3 85.19(15) y
C9 Sn1 S3 85.29(17) y
S2 Sn1 S3 149.19(4) y
S4 Sn1 S3 65.27(4) y
C8 Sn1 S1 82.13(15) y
C9 Sn1 S1 83.24(16) y
S2 Sn1 S1 65.25(4) y
S4 Sn1 S1 149.30(4) y
S3 Sn1 S1 145.36(4) y
C1 S1 Sn1 81.71(18) n
C1 S2 Sn1 93.91(18) n
C10 S3 Sn1 82.20(19) n
C10 S4 Sn1 93.94(17) n
C1 N1 C2 124.2(5) n
C1 N1 C7 123.0(5) n
C2 N1 C7 112.5(5) n
C10 N2 C11 122.9(4) n
C10 N2 C16 123.3(4) n
C11 N2 C16 113.0(4) n
N1 C1 S1 122.8(4) n
N1 C1 S2 119.3(4) n
S1 C1 S2 117.9(3) n
N1 C2 C3 109.9(5) n
N1 C2 H2A 109.7 n
C3 C2 H2A 109.7 n
N1 C2 H2B 109.7 n
C3 C2 H2B 109.7 n
H2A C2 H2B 108.2 n
C2 C3 C4 113.9(6) n
C2 C3 H3A 108.8 n
C4 C3 H3A 108.8 n
C2 C3 H3B 108.8 n
C4 C3 H3B 108.8 n
H3A C3 H3B 107.7 n
C5 C4 C6 115.7(7) n
C5 C4 C3 111.7(6) n
C6 C4 C3 107.8(6) n
C5 C4 H4 107.1 n
C6 C4 H4 107.1 n
C3 C4 H4 107.1 n
C4 C5 H5A 109.5 n
C4 C5 H5B 109.5 n
H5A C5 H5B 109.5 n
C4 C5 H5C 109.5 n
H5A C5 H5C 109.5 n
H5B C5 H5C 109.5 n
C7 C6 C4 112.5(6) n
C7 C6 H6A 109.1 n
C4 C6 H6A 109.1 n
C7 C6 H6B 109.1 n
C4 C6 H6B 109.1 n
H6A C6 H6B 107.8 n
N1 C7 C6 110.4(5) n
N1 C7 H7A 109.6 n
C6 C7 H7A 109.6 n
N1 C7 H7B 109.6 n
C6 C7 H7B 109.6 n
H7A C7 H7B 108.1 n
Sn1 C8 H8A 109.5 n
Sn1 C8 H8B 109.5 n
H8A C8 H8B 109.5 n
Sn1 C8 H8C 109.5 n
H8A C8 H8C 109.5 n
H8B C8 H8C 109.5 n
Sn1 C9 H9A 109.5 n
Sn1 C9 H9B 109.5 n
H9A C9 H9B 109.5 n
Sn1 C9 H9C 109.5 n
H9A C9 H9C 109.5 n
H9B C9 H9C 109.5 n
N2 C10 S3 122.3(4) n
N2 C10 S4 119.8(4) n
S3 C10 S4 117.9(3) n
N2 C11 C12 112.1(4) n
N2 C11 H11A 109.2 n
C12 C11 H11A 109.2 n
N2 C11 H11B 109.2 n
C12 C11 H11B 109.2 n
H11A C11 H11B 107.9 n
C11 C12 C13 111.0(5) n
C11 C12 H12A 109.4 n
C13 C12 H12A 109.4 n
C11 C12 H12B 109.4 n
C13 C12 H12B 109.4 n
H12A C12 H12B 108.0 n
C15 C13 C14 112.6(5) n
C15 C13 C12 108.7(4) n
C14 C13 C12 111.7(5) n
C15 C13 H13 107.9 n
C14 C13 H13 107.9 n
C12 C13 H13 107.9 n
C13 C14 H14A 109.5 n
C13 C14 H14B 109.5 n
H14A C14 H14B 109.5 n
C13 C14 H14C 109.5 n
H14A C14 H14C 109.5 n
H14B C14 H14C 109.5 n
C25 Sn2 C24 134.0(2) y
C25 Sn2 S7 110.36(18) y
C24 Sn2 S7 106.16(15) y
C25 Sn2 S5 102.41(17) y
C24 Sn2 S5 108.91(15) y
S7 Sn2 S5 83.21(4) y
C25 Sn2 S8 84.56(16) y
C24 Sn2 S8 85.57(15) y
S7 Sn2 S8 66.00(4) y
S5 Sn2 S8 148.79(4) y
C25 Sn2 S6 83.99(17) y
C24 Sn2 S6 81.03(15) y
S7 Sn2 S6 146.02(4) y
S5 Sn2 S6 63.33(4) y
S8 Sn2 S6 147.81(4) y
C23 S5 Sn2 96.68(19) n
C23 S6 Sn2 81.1(2) n
C26 S7 Sn2 93.75(17) n
C26 S8 Sn2 82.21(17) n
C23 N3 C17 121.7(5) n
C23 N3 C22 124.7(5) n
C17 N3 C22 113.2(5) n
C26 N4 C32 121.2(4) n
C26 N4 C27 123.9(4) n
C32 N4 C27 114.3(4) n
C13 C15 C16 113.0(5) n
C13 C15 H15A 109.0 n
C16 C15 H15A 109.0 n
C13 C15 H15B 109.0 n
C16 C15 H15B 109.0 n
H15A C15 H15B 107.8 n
N2 C16 C15 110.9(4) n
N2 C16 H16A 109.5 n
C15 C16 H16A 109.5 n
N2 C16 H16B 109.5 n
C15 C16 H16B 109.5 n
H16A C16 H16B 108.1 n
N3 C17 C18 109.0(5) n
N3 C17 H17A 109.9 n
C18 C17 H17A 109.9 n
N3 C17 H17B 109.9 n
C18 C17 H17B 109.9 n
H17A C17 H17B 108.3 n
C19 C18 C17 114.3(7) n
C19 C18 H18A 108.7 n
C17 C18 H18A 108.7 n
C19 C18 H18B 108.7 n
C17 C18 H18B 108.7 n
H18A C18 H18B 107.6 n
C18 C19 C20 112.9(8) n
C18 C19 C21 108.7(6) n
C20 C19 C21 113.2(7) n
C18 C19 H19 107.2 n
C20 C19 H19 107.2 n
C21 C19 H19 107.2 n
C19 C20 H20A 109.5 n
C19 C20 H20B 109.5 n
H20A C20 H20B 109.5 n
C19 C20 H20C 109.5 n
H20A C20 H20C 109.5 n
H20B C20 H20C 109.5 n
C22 C21 C19 113.0(6) n
C22 C21 H21A 109.0 n
C19 C21 H21A 109.0 n
C22 C21 H21B 109.0 n
C19 C21 H21B 109.0 n
H21A C21 H21B 107.8 n
N3 C22 C21 110.3(5) n
N3 C22 H22A 109.6 n
C21 C22 H22A 109.6 n
N3 C22 H22B 109.6 n
C21 C22 H22B 109.6 n
H22A C22 H22B 108.1 n
N3 C23 S6 123.0(4) n
N3 C23 S5 118.1(4) n
S6 C23 S5 118.9(3) n
Sn2 C24 H24A 109.5 n
Sn2 C24 H24B 109.5 n
H24A C24 H24B 109.5 n
Sn2 C24 H24C 109.5 n
H24A C24 H24C 109.5 n
H24B C24 H24C 109.5 n
Sn2 C25 H25A 109.5 n
Sn2 C25 H25B 109.5 n
H25A C25 H25B 109.5 n
Sn2 C25 H25C 109.5 n
H25A C25 H25C 109.5 n
H25B C25 H25C 109.5 n
N4 C26 S8 123.2(4) n
N4 C26 S7 119.1(3) n
S8 C26 S7 117.8(3) n
C28 C27 N4 111.5(5) n
C28 C27 H27A 109.3 n
N4 C27 H27A 109.3 n
C28 C27 H27B 109.3 n
N4 C27 H27B 109.3 n
H27A C27 H27B 108.0 n
C27 C28 C29 113.7(5) n
C27 C28 H28A 108.8 n
C29 C28 H28A 108.8 n
C27 C28 H28B 108.8 n
C29 C28 H28B 108.8 n
H28A C28 H28B 107.7 n
C30 C29 C28 113.9(5) n
C30 C29 C31 111.8(5) n
C28 C29 C31 108.2(4) n
C30 C29 H29 107.6 n
C28 C29 H29 107.6 n
C31 C29 H29 107.6 n
C29 C30 H30A 109.5 n
C29 C30 H30B 109.5 n
H30A C30 H30B 109.5 n
C29 C30 H30C 109.5 n
H30A C30 H30C 109.5 n
H30B C30 H30C 109.5 n
C32 C31 C29 113.8(5) n
C32 C31 H31A 108.8 n
C29 C31 H31A 108.8 n
C32 C31 H31B 108.8 n
C29 C31 H31B 108.8 n
H31A C31 H31B 107.7 n
N4 C32 C31 110.9(4) n
N4 C32 H32A 109.5 n
C31 C32 H32A 109.4 n
N4 C32 H32B 109.4 n
C31 C32 H32B 109.5 n
H32A C32 H32B 108.0 n
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Sn1 C8 2.111(5) y
Sn1 C9 2.114(5) y
Sn1 S2 2.5196(15) y
Sn1 S4 2.5364(14) y
Sn1 S3 2.9167(15) y
Sn1 S1 2.9187(16) y
S1 C1 1.702(5) y
S2 C1 1.742(5) y
S3 C10 1.710(5) y
S4 C10 1.743(5) y
N1 C1 1.296(6) n
N1 C2 1.472(6) n
N1 C7 1.476(7) n
N2 C10 1.314(6) n
N2 C11 1.465(6) n
N2 C16 1.481(6) n
C2 C3 1.507(8) n
C2 H2A 0.970 n
C2 H2B 0.970 n
C3 C4 1.524(8) n
C3 H3A 0.970 n
C3 H3B 0.970 n
C4 C5 1.476(9) n
C4 C6 1.506(9) n
C4 H4 0.980 n
C5 H5A 0.960 n
C5 H5B 0.960 n
C5 H5C 0.960 n
C6 C7 1.487(8) n
C6 H6A 0.970 n
C6 H6B 0.970 n
C7 H7A 0.970 n
C7 H7B 0.970 n
C8 H8A 0.960 n
C8 H8B 0.960 n
C8 H8C 0.960 n
C9 H9A 0.960 n
C9 H9B 0.960 n
C9 H9C 0.960 n
C11 C12 1.504(7) n
C11 H11A 0.970 n
C11 H11B 0.970 n
C12 C13 1.533(7) n
C12 H12A 0.970 n
C12 H12B 0.970 n
C13 C15 1.508(7) n
C13 C14 1.523(7) n
C13 H13 0.980 n
C14 H14A 0.960 n
C14 H14B 0.960 n
C14 H14C 0.960 n
Sn2 C25 2.106(5) y
Sn2 C24 2.114(5) y
Sn2 S7 2.5043(14) y
Sn2 S5 2.5330(15) y
Sn2 S8 2.8923(15) y
Sn2 S6 3.0397(17) y
S5 C23 1.747(6) y
S6 C23 1.687(6) y
S7 C26 1.754(5) y
S8 C26 1.700(5) y
N3 C23 1.328(6) n
N3 C17 1.467(7) n
N3 C22 1.467(7) n
N4 C26 1.311(6) n
N4 C32 1.475(6) n
N4 C27 1.484(6) n
C15 C16 1.514(7) n
C15 H15A 0.970 n
C15 H15B 0.970 n
C16 H16A 0.970 n
C16 H16B 0.970 n
C17 C18 1.516(8) n
C17 H17A 0.970 n
C17 H17B 0.970 n
C18 C19 1.505(9) n
C18 H18A 0.970 n
C18 H18B 0.970 n
C19 C20 1.516(9) n
C19 C21 1.519(9) n
C19 H19 0.980 n
C20 H20A 0.960 n
C20 H20B 0.960 n
C20 H20C 0.960 n
C21 C22 1.504(8) n
C21 H21A 0.970 n
C21 H21B 0.970 n
C22 H22A 0.970 n
C22 H22B 0.970 n
C24 H24A 0.960 n
C24 H24B 0.960 n
C24 H24C 0.960 n
C25 H25A 0.960 n
C25 H25B 0.960 n
C25 H25C 0.960 n
C27 C28 1.465(7) n
C27 H27A 0.970 n
C27 H27B 0.970 n
C28 C29 1.508(7) n
C28 H28A 0.970 n
C28 H28B 0.970 n
C29 C30 1.507(7) n
C29 C31 1.510(7) n
C29 H29 0.980 n
C30 H30A 0.960 n
C30 H30B 0.960 n
C30 H30C 0.960 n
C31 C32 1.476(7) n
C31 H31A 0.970 n
C31 H31B 0.970 n
C32 H32A 0.970 n
C32 H32B 0.970 n
