##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_global
_audit_creation_method     SHELXL-97
_journal_date_recd_electronic     2010-04-19
_journal_date_accepted     2010-04-20
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue      5
_journal_page_first     m570
_journal_page_last     m570
_journal_paper_category     QM
_journal_coeditor_code     BT5250
_publ_contact_author
;
     Dr. Seik Weng Ng
     Department of Chemistry
     University of Malaya
     50603 Kuala Lumpur
     Malaysia
;
_publ_contact_author_email     seikweng@um.edu.my
_publ_contact_author_fax     '03 7967 4193'
_publ_contact_author_phone     '03 7967 6778'
_publ_section_title
;\
Dichlorido{4-cyclohexyl-1-[1-(2-pyridyl-κN)ethylidene]\
thiosemicarbazidato-κ²N¹,S}methyltin(IV)
;
loop_
    _publ_author_name
    _publ_author_address
    'Salam, Md. Abdus'
;
Faculty of Resource Science and Technology
Universiti Malaysia Sarawak
94300 Kota Samarahan
Sarawak
Malaysia
;
    'Affan, Md. Abu'
;
Faculty of Resource Science and Technology
Universiti Malaysia Sarawak
94300 Kota Samarahan
Sarawak
Malaysia
;
    'Shamsuddin, Mustaffa'
;
Faculty of Resource Science and Technology
Universiti Malaysia Sarawak
94300 Kota Samarahan
Sarawak
Malaysia
;
    'Ng, Seik Weng'
;
Department of Chemistry
University of Malaya
50603 Kuala Lumpur
Malaysia
;
_publ_section_synopsis     .
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Dichlorido{4-cyclohexyl-1-[1-(2-pyridyl-
κN)ethylidene]thiosemicarbazidato-
κ²N¹,S}methyltin(IV)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C15 H22 Cl2 N4 S Sn'
_chemical_formula_sum     'C15 H22 Cl2 N4 S Sn'
_chemical_formula_iupac     '[Sn (C H3) (C14 H19 N4 S) Cl2]'
_chemical_formula_weight     480.02
_chemical_melting_point     ?
_symmetry_cell_setting     Orthorhombic
_symmetry_space_group_name_H-M     'P 21 21 21'
_symmetry_space_group_name_Hall     'P 2ac 2ab'
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'
_cell_length_a     9.2016(5)
_cell_length_b     12.2434(7)
_cell_length_c     17.4544(10)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     1966.39(19)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     8827
_cell_measurement_theta_min     2.3
_cell_measurement_theta_max     27.7
_cell_measurement_temperature     293(2)
_exptl_crystal_description     Prism
_exptl_crystal_colour     Yellow
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.25
_exptl_crystal_size_min     0.20
_exptl_crystal_density_diffrn     1.621
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     960
_exptl_absorpt_coefficient_mu     1.681
_exptl_absorpt_correction_type     Multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.6325
_exptl_absorpt_correction_T_max     0.7298
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART APEX diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     18838
_diffrn_reflns_av_R_equivalents     0.0252
_diffrn_reflns_av_sigmaI/netI     0.0212
_diffrn_reflns_theta_min     2.03
_diffrn_reflns_theta_max     27.49
_diffrn_reflns_theta_full     27.49
_diffrn_measured_fraction_theta_max     1.000
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -15
_diffrn_reflns_limit_k_max     15
_diffrn_reflns_limit_l_min     -22
_diffrn_reflns_limit_l_max     22
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     0
_reflns_number_total     4498
_reflns_number_gt     4223
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0246
_refine_ls_R_factor_gt     0.0213
_refine_ls_wR_factor_gt     0.0511
_refine_ls_wR_factor_ref     0.0535
_refine_ls_goodness_of_fit_ref     1.020
_refine_ls_restrained_S_all     1.020
_refine_ls_number_reflns     4498
_refine_ls_number_parameters     214
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0320P)²+0.1524P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.001
_refine_diff_density_max     0.293
_refine_diff_density_min     -0.409
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
_refine_ls_abs_structure_details     'Flack (1983), 1493 Friedel pairs'
_refine_ls_abs_structure_Flack     -0.020(17)
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'
    'Cl' 'Cl' 0.1484 0.1585
                         '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'
_computing_data_collection     'APEX2 (Bruker, 2009)'
_computing_cell_refinement     'SAINT (Bruker, 2009)'
_computing_data_reduction     'SAINT (Bruker, 2009)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'X-SEED (Barbour, 2001)'
_computing_publication_material     'publCIF (Westrip, 2010)'
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
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Sn Sn1 1.061930(18) 0.634199(13) 0.160119(10) 0.03748(6) Uani d . 1 . .
    Cl Cl1 0.97585(8) 0.54078(6) 0.04139(4) 0.04922(17) Uani d . 1 . .
    Cl Cl2 1.10680(12) 0.73379(8) 0.28090(5) 0.0724(3) Uani d . 1 . .
    S S1 1.22890(7) 0.75142(6) 0.08461(5) 0.04529(16) Uani d . 1 . .
    N N1 0.8388(3) 0.59846(18) 0.20943(13) 0.0411(5) Uani d . 1 . .
    N N2 0.9157(2) 0.77150(16) 0.12825(11) 0.0351(5) Uani d . 1 . .
    N N3 0.9636(2) 0.85860(18) 0.08811(12) 0.0398(5) Uani d . 1 . .
    N N4 1.1533(3) 0.9409(2) 0.02881(19) 0.0602(7) Uani d D 1 . .
    H H4 1.2404(17) 0.944(3) 0.0111(18) 0.063(11) Uiso d D 1 . .
    C C1 1.1749(4) 0.4916(3) 0.1978(2) 0.0687(10) Uani d . 1 . .
    H H1A 1.1755 0.4893 0.2527 0.103 Uiso calc R 1 . .
    H H1B 1.2731 0.4936 0.1792 0.103 Uiso calc R 1 . .
    H H1C 1.1270 0.4277 0.1783 0.103 Uiso calc R 1 . .
    C C2 0.8073(4) 0.5114(2) 0.25205(17) 0.0524(7) Uani d . 1 . .
    H H2 0.8783 0.4586 0.2602 0.063 Uiso calc R 1 . .
    C C3 0.6713(4) 0.4978(3) 0.28448(19) 0.0599(9) Uani d . 1 . .
    H H3 0.6513 0.4370 0.3146 0.072 Uiso calc R 1 . .
    C C4 0.5676(4) 0.5746(3) 0.27171(17) 0.0589(8) Uani d . 1 . .
    H H4A 0.4761 0.5675 0.2938 0.071 Uiso calc R 1 . .
    C C5 0.5985(3) 0.6628(2) 0.22600(16) 0.0490(7) Uani d . 1 . .
    H H5 0.5271 0.7146 0.2157 0.059 Uiso calc R 1 . .
    C C6 0.7362(3) 0.6743(2) 0.19527(14) 0.0372(6) Uani d . 1 . .
    C C7 0.7802(3) 0.7679(2) 0.14765(14) 0.0363(5) Uani d . 1 . .
    C C8 0.6739(3) 0.8530(3) 0.12494(18) 0.0517(7) Uani d . 1 . .
    H H8A 0.7240 0.9121 0.1002 0.077 Uiso calc R 1 . .
    H H8B 0.6249 0.8799 0.1697 0.077 Uiso calc R 1 . .
    H H8C 0.6042 0.8222 0.0902 0.077 Uiso calc R 1 . .
    C C9 1.1021(3) 0.8555(2) 0.06741(14) 0.0400(6) Uani d . 1 . .
    C C10 1.0719(4) 1.0403(2) 0.0096(2) 0.0595(8) Uani d . 1 . .
    H H10 0.9725 1.0328 0.0290 0.071 Uiso calc R 1 . .
    C C11 1.1403(6) 1.1369(3) 0.0467(2) 0.0941(16) Uani d . 1 . .
    H H11A 1.2421 1.1404 0.0324 0.113 Uiso calc R 1 . .
    H H11B 1.1351 1.1288 0.1019 0.113 Uiso calc R 1 . .
    C C12 1.0651(7) 1.2431(3) 0.0232(2) 0.0936(15) Uani d . 1 . .
    H H12A 0.9671 1.2436 0.0437 0.112 Uiso calc R 1 . .
    H H12B 1.1171 1.3044 0.0452 0.112 Uiso calc R 1 . .
    C C13 1.0586(6) 1.2563(3) -0.0593(2) 0.0750(11) Uani d . 1 . .
    H H13A 1.1561 1.2688 -0.0786 0.090 Uiso calc R 1 . .
    H H13B 1.0007 1.3203 -0.0712 0.090 Uiso calc R 1 . .
    C C14 0.9968(8) 1.1623(3) -0.0982(3) 0.123(2) Uani d . 1 . .
    H H14A 1.0086 1.1717 -0.1531 0.147 Uiso calc R 1 . .
    H H14B 0.8935 1.1592 -0.0875 0.147 Uiso calc R 1 . .
    C C15 1.0660(8) 1.0544(3) -0.0745(2) 0.115(2) Uani d . 1 . .
    H H15A 1.0109 0.9947 -0.0967 0.138 Uiso calc R 1 . .
    H H15B 1.1639 1.0509 -0.0950 0.138 Uiso calc R 1 . .
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Sn1 C1 . 2.136(3) yes
    Sn1 N1 . 2.269(2) yes
    Sn1 N2 . 2.224(2) yes
    Sn1 S1 . 2.4814(7) yes
    Sn1 Cl1 . 2.4960(7) yes
    Sn1 Cl2 . 2.4701(8) yes
    S1 C9 . 1.753(3) ?
    N1 C2 . 1.332(4) ?
    N1 C6 . 1.348(3) ?
    N2 C7 . 1.292(3) ?
    N2 N3 . 1.350(3) ?
    N3 C9 . 1.326(3) ?
    N4 C9 . 1.330(4) ?
    N4 C10 . 1.468(4) ?
    N4 H4 . 0.861(10) ?
    C1 H1A . 0.9600 ?
    C1 H1B . 0.9600 ?
    C1 H1C . 0.9600 ?
    C2 C3 . 1.383(5) ?
    C2 H2 . 0.9300 ?
    C3 C4 . 1.359(5) ?
    C3 H3 . 0.9300 ?
    C4 C5 . 1.372(4) ?
    C4 H4A . 0.9300 ?
    C5 C6 . 1.383(4) ?
    C5 H5 . 0.9300 ?
    C6 C7 . 1.473(4) ?
    C7 C8 . 1.483(4) ?
    C8 H8A . 0.9600 ?
    C8 H8B . 0.9600 ?
    C8 H8C . 0.9600 ?
    C10 C15 . 1.479(5) ?
    C10 C11 . 1.488(6) ?
    C10 H10 . 0.9800 ?
    C11 C12 . 1.529(5) ?
    C11 H11A . 0.9700 ?
    C11 H11B . 0.9700 ?
    C12 C13 . 1.450(5) ?
    C12 H12A . 0.9700 ?
    C12 H12B . 0.9700 ?
    C13 C14 . 1.453(6) ?
    C13 H13A . 0.9700 ?
    C13 H13B . 0.9700 ?
    C14 C15 . 1.523(5) ?
    C14 H14A . 0.9700 ?
    C14 H14B . 0.9700 ?
    C15 H15A . 0.9700 ?
    C15 H15B . 0.9700 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C1 Sn1 N2 . . 171.66(12) ?
    C1 Sn1 N1 . . 99.56(12) ?
    N2 Sn1 N1 . . 72.12(8) ?
    C1 Sn1 Cl2 . . 93.43(11) ?
    N2 Sn1 Cl2 . . 86.65(6) ?
    N1 Sn1 Cl2 . . 85.57(6) ?
    C1 Sn1 S1 . . 109.56(11) ?
    N2 Sn1 S1 . . 78.74(6) ?
    N1 Sn1 S1 . . 150.85(6) ?
    Cl2 Sn1 S1 . . 93.69(3) ?
    C1 Sn1 Cl1 . . 92.01(11) ?
    N2 Sn1 Cl1 . . 86.94(6) ?
    N1 Sn1 Cl1 . . 86.53(6) ?
    Cl2 Sn1 Cl1 . . 171.05(3) ?
    S1 Sn1 Cl1 . . 91.18(3) ?
    C9 S1 Sn1 . . 95.70(9) ?
    C2 N1 C6 . . 120.1(3) ?
    C2 N1 Sn1 . . 124.3(2) ?
    C6 N1 Sn1 . . 115.58(17) ?
    C7 N2 N3 . . 118.5(2) ?
    C7 N2 Sn1 . . 119.51(17) ?
    N3 N2 Sn1 . . 121.94(16) ?
    C9 N3 N2 . . 115.7(2) ?
    C9 N4 C10 . . 126.0(3) ?
    C9 N4 H4 . . 123(2) ?
    C10 N4 H4 . . 111(2) ?
    Sn1 C1 H1A . . 109.5 ?
    Sn1 C1 H1B . . 109.5 ?
    H1A C1 H1B . . 109.5 ?
    Sn1 C1 H1C . . 109.5 ?
    H1A C1 H1C . . 109.5 ?
    H1B C1 H1C . . 109.5 ?
    N1 C2 C3 . . 121.5(3) ?
    N1 C2 H2 . . 119.3 ?
    C3 C2 H2 . . 119.3 ?
    C4 C3 C2 . . 119.0(3) ?
    C4 C3 H3 . . 120.5 ?
    C2 C3 H3 . . 120.5 ?
    C3 C4 C5 . . 119.6(3) ?
    C3 C4 H4A . . 120.2 ?
    C5 C4 H4A . . 120.2 ?
    C4 C5 C6 . . 119.7(3) ?
    C4 C5 H5 . . 120.1 ?
    C6 C5 H5 . . 120.1 ?
    N1 C6 C5 . . 120.1(2) ?
    N1 C6 C7 . . 116.6(2) ?
    C5 C6 C7 . . 123.4(2) ?
    N2 C7 C6 . . 116.1(2) ?
    N2 C7 C8 . . 122.8(2) ?
    C6 C7 C8 . . 121.1(2) ?
    C7 C8 H8A . . 109.5 ?
    C7 C8 H8B . . 109.5 ?
    H8A C8 H8B . . 109.5 ?
    C7 C8 H8C . . 109.5 ?
    H8A C8 H8C . . 109.5 ?
    H8B C8 H8C . . 109.5 ?
    N3 C9 N4 . . 117.1(3) ?
    N3 C9 S1 . . 127.9(2) ?
    N4 C9 S1 . . 115.0(2) ?
    N4 C10 C15 . . 110.0(3) ?
    N4 C10 C11 . . 110.1(3) ?
    C15 C10 C11 . . 110.8(3) ?
    N4 C10 H10 . . 108.6 ?
    C15 C10 H10 . . 108.6 ?
    C11 C10 H10 . . 108.6 ?
    C10 C11 C12 . . 111.5(3) ?
    C10 C11 H11A . . 109.3 ?
    C12 C11 H11A . . 109.3 ?
    C10 C11 H11B . . 109.3 ?
    C12 C11 H11B . . 109.3 ?
    H11A C11 H11B . . 108.0 ?
    C13 C12 C11 . . 112.3(3) ?
    C13 C12 H12A . . 109.1 ?
    C11 C12 H12A . . 109.1 ?
    C13 C12 H12B . . 109.1 ?
    C11 C12 H12B . . 109.1 ?
    H12A C12 H12B . . 107.9 ?
    C12 C13 C14 . . 113.1(4) ?
    C12 C13 H13A . . 109.0 ?
    C14 C13 H13A . . 109.0 ?
    C12 C13 H13B . . 109.0 ?
    C14 C13 H13B . . 109.0 ?
    H13A C13 H13B . . 107.8 ?
    C13 C14 C15 . . 113.3(4) ?
    C13 C14 H14A . . 108.9 ?
    C15 C14 H14A . . 108.9 ?
    C13 C14 H14B . . 108.9 ?
    C15 C14 H14B . . 108.9 ?
    H14A C14 H14B . . 107.7 ?
    C10 C15 C14 . . 112.7(4) ?
    C10 C15 H15A . . 109.0 ?
    C14 C15 H15A . . 109.0 ?
    C10 C15 H15B . . 109.0 ?
    C14 C15 H15B . . 109.0 ?
    H15A C15 H15B . . 107.8 ?
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C1 Sn1 S1 C9 . . . . -178.73(15) ?
    N2 Sn1 S1 C9 . . . . 2.07(10) ?
    N1 Sn1 S1 C9 . . . . 3.74(16) ?
    Cl2 Sn1 S1 C9 . . . . -83.77(9) ?
    Cl1 Sn1 S1 C9 . . . . 88.72(9) ?
    C1 Sn1 N1 C2 . . . . 2.9(3) ?
    N2 Sn1 N1 C2 . . . . -177.8(2) ?
    Cl2 Sn1 N1 C2 . . . . -89.9(2) ?
    S1 Sn1 N1 C2 . . . . -179.50(18) ?
    Cl1 Sn1 N1 C2 . . . . 94.3(2) ?
    C1 Sn1 N1 C6 . . . . -179.4(2) ?
    N2 Sn1 N1 C6 . . . . -0.01(17) ?
    Cl2 Sn1 N1 C6 . . . . 87.89(18) ?
    S1 Sn1 N1 C6 . . . . -1.7(3) ?
    Cl1 Sn1 N1 C6 . . . . -87.92(18) ?
    C1 Sn1 N2 C7 . . . . 1.9(9) ?
    N1 Sn1 N2 C7 . . . . -2.46(18) ?
    Cl2 Sn1 N2 C7 . . . . -88.88(19) ?
    S1 Sn1 N2 C7 . . . . 176.68(19) ?
    Cl1 Sn1 N2 C7 . . . . 84.87(19) ?
    C1 Sn1 N2 N3 . . . . -177.3(8) ?
    N1 Sn1 N2 N3 . . . . 178.4(2) ?
    Cl2 Sn1 N2 N3 . . . . 91.99(17) ?
    S1 Sn1 N2 N3 . . . . -2.45(17) ?
    Cl1 Sn1 N2 N3 . . . . -94.26(17) ?
    C7 N2 N3 C9 . . . . -177.5(2) ?
    Sn1 N2 N3 C9 . . . . 1.6(3) ?
    C6 N1 C2 C3 . . . . -1.8(4) ?
    Sn1 N1 C2 C3 . . . . 175.8(2) ?
    N1 C2 C3 C4 . . . . 0.7(5) ?
    C2 C3 C4 C5 . . . . 1.2(5) ?
    C3 C4 C5 C6 . . . . -1.9(5) ?
    C2 N1 C6 C5 . . . . 1.0(4) ?
    Sn1 N1 C6 C5 . . . . -176.8(2) ?
    C2 N1 C6 C7 . . . . 180.0(2) ?
    Sn1 N1 C6 C7 . . . . 2.1(3) ?
    C4 C5 C6 N1 . . . . 0.8(4) ?
    C4 C5 C6 C7 . . . . -178.0(3) ?
    N3 N2 C7 C6 . . . . -176.5(2) ?
    Sn1 N2 C7 C6 . . . . 4.4(3) ?
    N3 N2 C7 C8 . . . . 2.6(4) ?
    Sn1 N2 C7 C8 . . . . -176.5(2) ?
    N1 C6 C7 N2 . . . . -4.3(3) ?
    C5 C6 C7 N2 . . . . 174.6(2) ?
    N1 C6 C7 C8 . . . . 176.6(2) ?
    C5 C6 C7 C8 . . . . -4.5(4) ?
    N2 N3 C9 N4 . . . . -179.0(3) ?
    N2 N3 C9 S1 . . . . 1.1(3) ?
    C10 N4 C9 N3 . . . . 2.6(5) ?
    C10 N4 C9 S1 . . . . -177.5(3) ?
    Sn1 S1 C9 N3 . . . . -2.6(3) ?
    Sn1 S1 C9 N4 . . . . 177.5(2) ?
    C9 N4 C10 C15 . . . . -120.0(5) ?
    C9 N4 C10 C11 . . . . 117.6(4) ?
    N4 C10 C11 C12 . . . . 175.8(4) ?
    C15 C10 C11 C12 . . . . 53.9(6) ?
    C10 C11 C12 C13 . . . . -54.4(7) ?
    C11 C12 C13 C14 . . . . 52.4(7) ?
    C12 C13 C14 C15 . . . . -50.4(8) ?
    N4 C10 C15 C14 . . . . -174.0(5) ?
    C11 C10 C15 C14 . . . . -52.0(7) ?
    C13 C14 C15 C10 . . . . 50.5(8) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    N4 H4 Cl1 4_565 0.860(10)
                            2.360(10)
                                    3.219(3) 177(3) yes
