#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2203346.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_2203346
loop_
_publ_author_name
'Rademeyer, Melanie'
_publ_section_title
;
Tetrakis(anilinium) hexachlorotin(IV) dichloride
;
_journal_issue                 3
_journal_name_full             'Acta Crystallographica, Section E'
_journal_page_first            m345
_journal_page_last             m347
_journal_volume                60
_journal_year                  2004
_chemical_formula_iupac        '(C6 H8 N)4 [Sn Cl6] Cl2'
_chemical_formula_moiety       '4C6 H8 N 1+, Cl6 Sn 2-, 2Cl 1-'
_chemical_formula_sum          'C24 H32 Cl8 N4 Sn'
_chemical_formula_weight       778.83
_chemical_melting_point        ?
_chemical_name_common          ?
_chemical_name_systematic
;
Tetrakis(anilinium) hexachlorotin(IV) dichloride
;
_symmetry_cell_setting         monoclinic
_symmetry_space_group_name_Hall '-P 2ybc'
_symmetry_space_group_name_H-M 'P 21/c'
_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               92.40(2)
_cell_angle_gamma              90.00
_cell_formula_units_Z          4
_cell_length_a                 15.615(4)
_cell_length_b                 10.543(4)
_cell_length_c                 20.403(5)
_cell_measurement_reflns_used  185
_cell_measurement_temperature  293(2)
_cell_measurement_theta_max    32
_cell_measurement_theta_min    2
_cell_volume                   3355.9(17)
_computing_cell_refinement     'CrysAlis CCD'
_computing_data_collection     'CrysAlis CCD (Oxford Diffraction, 2003)'
_computing_data_reduction      'CrysAlis RED (Oxford Diffraction, 2003)'
_computing_molecular_graphics  'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material 'WinGX (Farrugia, 1999) and PLATON (Spek, 2000)'
_computing_structure_refinement 'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution  'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature    293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.932
_diffrn_measurement_device_type 'Oxford Excalibur2'
_diffrn_measurement_method     \w-2\q
_diffrn_radiation_monochromator graphite
_diffrn_radiation_source       'fine-focus sealed tube'
_diffrn_radiation_type         MoK\a
_diffrn_radiation_wavelength   0.71073
_diffrn_reflns_av_R_equivalents 0.0354
_diffrn_reflns_av_sigmaI/netI  0.0693
_diffrn_reflns_limit_h_max     22
_diffrn_reflns_limit_h_min     -22
_diffrn_reflns_limit_k_max     15
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_l_max     29
_diffrn_reflns_limit_l_min     -29
_diffrn_reflns_number          30679
_diffrn_reflns_theta_full      25.00
_diffrn_reflns_theta_max       31.87
_diffrn_reflns_theta_min       3.99
_diffrn_standards_decay_%      <2
_diffrn_standards_interval_count n/a
_diffrn_standards_interval_time n/a
_diffrn_standards_number       n/a
_exptl_absorpt_coefficient_mu  1.419
_exptl_absorpt_correction_T_max 0.7567
_exptl_absorpt_correction_T_min 0.5317
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details '(Blessing, 1995)'
_exptl_crystal_colour          'light brown'
_exptl_crystal_density_diffrn  1.541
_exptl_crystal_density_meas    ?
_exptl_crystal_density_method  'not measured'
_exptl_crystal_description     block
_exptl_crystal_F_000           1560
_exptl_crystal_size_max        0.50
_exptl_crystal_size_mid        0.20
_exptl_crystal_size_min        0.20
_refine_diff_density_max       1.018
_refine_diff_density_min       -0.582
_refine_ls_extinction_coef     ?
_refine_ls_extinction_method   none
_refine_ls_goodness_of_fit_ref 0.918
_refine_ls_hydrogen_treatment  constr
_refine_ls_matrix_type         full
_refine_ls_number_parameters   338
_refine_ls_number_reflns       10736
_refine_ls_number_restraints   60
_refine_ls_restrained_S_all    0.916
_refine_ls_R_factor_all        0.1153
_refine_ls_R_factor_gt         0.0428
_refine_ls_shift/su_max        0.005
_refine_ls_shift/su_mean       0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0411P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme    calc
_refine_ls_wR_factor_gt        0.0847
_refine_ls_wR_factor_ref       0.1038
_reflns_number_gt              5357
_reflns_number_total           10736
_reflns_threshold_expression   I>2\s(I)
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_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
_atom_site_type_symbol
N2 0.25134(19) -0.1246(2) -0.16768(12) 0.0504(7) Uani d . 1 . . N
H2A 0.2065 -0.0920 -0.1901 0.076 Uiso calc R 1 . . H
H2B 0.2477 -0.2088 -0.1680 0.076 Uiso calc R 1 . . H
H2C 0.2994 -0.1008 -0.1862 0.076 Uiso calc R 1 . . H
N3 0.25710(19) 0.1214(2) 0.68417(12) 0.0523(7) Uani d . 1 . . N
H3A 0.2625 0.2054 0.6863 0.078 Uiso calc R 1 . . H
H3B 0.3016 0.0851 0.7054 0.078 Uiso calc R 1 . . H
H3C 0.2089 0.0982 0.7026 0.078 Uiso calc R 1 . . H
N1 0.4587(2) 0.8032(3) 0.19859(15) 0.0636(9) Uani d . 1 . . N
H1C 0.4941 0.8628 0.2145 0.095 Uiso calc R 1 . . H
H1A 0.4653 0.7328 0.2223 0.095 Uiso calc R 1 . . H
H1B 0.4048 0.8302 0.2004 0.095 Uiso calc R 1 . . H
N4 0.00100(19) 0.2450(3) 0.30654(14) 0.0648(9) Uani d . 1 . . N
H4A 0.0067 0.1651 0.2932 0.097 Uiso calc R 1 . . H
H4B 0.0449 0.2909 0.2933 0.097 Uiso calc R 1 . . H
H4C -0.0478 0.2769 0.2896 0.097 Uiso calc R 1 . . H
C24 0.0383(2) 0.3470(3) 0.41180(19) 0.0546(9) Uani d D 1 . . C
H24 0.0646 0.4118 0.3892 0.066 Uiso calc R 1 . . H
C19 -0.0002(2) 0.2482(3) 0.37854(17) 0.0450(8) Uani d D 1 . . C
C23 0.0374(2) 0.3491(4) 0.4793(2) 0.0636(11) Uani d D 1 . . C
H23 0.0634 0.4154 0.5027 0.076 Uiso calc R 1 . . H
C22 -0.0020(2) 0.2531(4) 0.5117(2) 0.0675(11) Uani d D 1 . . C
H22 -0.0030 0.2552 0.5573 0.081 Uiso calc R 1 . . H
C20 -0.0396(2) 0.1518(3) 0.41058(19) 0.0550(9) Uani d D 1 . . C
H20 -0.0658 0.0857 0.3872 0.066 Uiso calc R 1 . . H
C21 -0.0397(3) 0.1547(4) 0.4785(2) 0.0638(11) Uani d D 1 . . C
H21 -0.0655 0.0896 0.5012 0.077 Uiso calc R 1 . . H
Cl7 0.10229(5) 0.00270(8) 0.75179(4) 0.0504(2) Uani d . 1 . . Cl
Cl8 0.58691(6) 0.02214(9) 0.23994(5) 0.0609(3) Uani d . 1 . . Cl
C1 0.4781(2) 0.7764(3) 0.13001(18) 0.0496(9) Uani d D 1 . . C
C2 0.5265(3) 0.6724(4) 0.1173(2) 0.0722(12) Uani d D 1 . . C
H2 0.5478 0.6211 0.1513 0.087 Uiso calc R 1 . . H
C3 0.5429(3) 0.6452(4) 0.0538(3) 0.0849(14) Uani d D 1 . . C
H3 0.5750 0.5736 0.0445 0.102 Uiso calc R 1 . . H
C4 0.5134(3) 0.7210(5) 0.0036(2) 0.0839(14) Uani d D 1 . . C
H4 0.5258 0.7020 -0.0395 0.101 Uiso calc R 1 . . H
C6 0.4469(3) 0.8535(4) 0.0819(2) 0.0666(11) Uani d D 1 . . C
H6 0.4139 0.9237 0.0920 0.080 Uiso calc R 1 . . H
C5 0.4643(3) 0.8271(4) 0.0178(2) 0.0769(12) Uani d D 1 . . C
H5 0.4435 0.8797 -0.0158 0.092 Uiso calc R 1 . . H
Sn 0.230329(14) -0.00050(2) 0.257819(10) 0.03698(7) Uani d . 1 . . Sn
Cl1 0.12090(5) -0.10126(8) 0.32113(4) 0.0527(2) Uani d . 1 . . Cl
Cl2 0.34470(5) 0.09625(8) 0.19576(4) 0.0500(2) Uani d . 1 . . Cl
Cl5 0.23704(6) -0.19009(7) 0.18993(4) 0.0516(2) Uani d . 1 . . Cl
Cl6 0.34200(5) -0.09639(7) 0.33004(4) 0.0457(2) Uani d . 1 . . Cl
Cl4 0.22586(6) 0.18760(8) 0.32433(4) 0.0554(2) Uani d . 1 . . Cl
C16 0.2473(2) 0.0041(4) 0.48740(17) 0.0557(9) Uani d D 1 . . C
H16 0.2455 -0.0216 0.4438 0.067 Uiso calc R 1 . . H
C13 0.2543(2) 0.0810(3) 0.61508(15) 0.0400(7) Uani d D 1 . . C
C15 0.2930(3) -0.0643(4) 0.53349(19) 0.0626(11) Uani d D 1 . . C
H15 0.3217 -0.1373 0.5212 0.075 Uiso calc R 1 . . H
C14 0.2970(3) -0.0261(3) 0.59813(18) 0.0557(10) Uani d D 1 . . C
H14 0.3282 -0.0725 0.6296 0.067 Uiso calc R 1 . . H
C18 0.2067(2) 0.1487(3) 0.56973(17) 0.0566(10) Uani d D 1 . . C
H18 0.1764 0.2200 0.5823 0.068 Uiso calc R 1 . . H
C17 0.2041(3) 0.1105(4) 0.50532(18) 0.0615(10) Uani d D 1 . . C
H17 0.1728 0.1571 0.4739 0.074 Uiso calc R 1 . . H
Cl3 0.12225(6) 0.08995(9) 0.18308(4) 0.0550(2) Uani d . 1 . . Cl
C10 0.2499(3) 0.0069(4) 0.02631(18) 0.0631(10) Uani d D 1 . . C
H10 0.2493 0.0364 0.0693 0.076 Uiso calc R 1 . . H
C8 0.2916(2) 0.0344(3) -0.08414(18) 0.0535(9) Uani d D 1 . . C
H8 0.3189 0.0810 -0.1158 0.064 Uiso calc R 1 . . H
C7 0.2521(2) -0.0784(3) -0.09941(15) 0.0407(7) Uani d D 1 . . C
C9 0.2895(3) 0.0765(4) -0.0204(2) 0.0658(11) Uani d D 1 . . C
H9 0.3153 0.1533 -0.0089 0.079 Uiso calc R 1 . . H
C11 0.2118(3) -0.1045(4) 0.00994(17) 0.0608(10) Uani d D 1 . . C
H11 0.1854 -0.1518 0.0419 0.073 Uiso calc R 1 . . H
C12 0.2119(2) -0.1486(3) -0.05360(17) 0.0532(9) Uani d D 1 . . C
H12 0.1851 -0.2247 -0.0651 0.064 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
N2 0.067(2) 0.0447(16) 0.0391(16) 0.0066(14) 0.0030(14) -0.0021(12)
N3 0.070(2) 0.0429(16) 0.0449(17) -0.0045(14) 0.0095(15) -0.0036(13)
N1 0.060(2) 0.064(2) 0.067(2) -0.0042(16) 0.0062(17) -0.0076(17)
N4 0.064(2) 0.072(2) 0.058(2) -0.0167(17) 0.0000(16) 0.0010(17)
C24 0.053(2) 0.042(2) 0.069(3) -0.0071(16) 0.0014(19) 0.0013(18)
C19 0.0381(19) 0.0433(19) 0.053(2) 0.0006(15) -0.0002(16) 0.0013(16)
C23 0.055(2) 0.060(2) 0.075(3) 0.005(2) -0.007(2) -0.023(2)
C22 0.055(2) 0.089(3) 0.059(3) 0.014(2) 0.004(2) -0.003(2)
C20 0.051(2) 0.048(2) 0.067(3) -0.0077(17) 0.0010(19) -0.0044(18)
C21 0.061(3) 0.065(3) 0.066(3) -0.005(2) 0.015(2) 0.014(2)
Cl7 0.0432(4) 0.0510(5) 0.0571(5) 0.0009(4) 0.0016(4) -0.0087(4)
Cl8 0.0458(5) 0.0752(7) 0.0616(6) -0.0024(4) 0.0021(4) -0.0162(5)
C1 0.042(2) 0.047(2) 0.060(2) -0.0044(16) 0.0068(17) -0.0091(18)
C2 0.057(3) 0.065(3) 0.096(4) 0.018(2) 0.017(2) 0.011(2)
C3 0.082(3) 0.070(3) 0.105(4) 0.021(3) 0.032(3) -0.007(3)
C4 0.089(4) 0.098(4) 0.067(3) -0.022(3) 0.030(3) -0.020(3)
C6 0.067(3) 0.052(2) 0.081(3) 0.016(2) 0.006(2) -0.003(2)
C5 0.077(3) 0.085(3) 0.069(3) 0.001(3) 0.001(2) 0.008(3)
Sn 0.04106(12) 0.03370(11) 0.03631(11) 0.00154(10) 0.00331(8) 0.00081(9)
Cl1 0.0470(5) 0.0606(5) 0.0512(5) -0.0022(4) 0.0096(4) 0.0107(4)
Cl2 0.0494(5) 0.0439(5) 0.0577(5) -0.0007(4) 0.0157(4) 0.0037(4)
Cl5 0.0682(6) 0.0422(5) 0.0440(5) -0.0023(4) -0.0002(4) -0.0100(4)
Cl6 0.0464(5) 0.0418(4) 0.0480(5) 0.0002(4) -0.0072(4) 0.0001(4)
Cl4 0.0747(6) 0.0406(5) 0.0509(5) 0.0081(4) 0.0050(5) -0.0101(4)
C16 0.060(2) 0.065(2) 0.0424(19) -0.002(2) 0.0073(17) -0.008(2)
C13 0.0468(19) 0.0350(17) 0.0384(18) -0.0048(14) 0.0060(15) 0.0004(14)
C15 0.067(3) 0.055(2) 0.066(3) 0.015(2) 0.006(2) -0.015(2)
C14 0.070(3) 0.044(2) 0.052(2) 0.0128(17) -0.0067(19) -0.0020(16)
C18 0.071(3) 0.048(2) 0.051(2) 0.0212(19) 0.006(2) -0.0019(17)
C17 0.074(3) 0.063(3) 0.047(2) 0.016(2) -0.0038(19) 0.0030(19)
Cl3 0.0497(5) 0.0650(6) 0.0497(5) 0.0078(4) -0.0026(4) 0.0139(4)
C10 0.065(3) 0.082(3) 0.042(2) 0.007(2) -0.0042(18) -0.015(2)
C8 0.063(2) 0.043(2) 0.056(2) -0.0036(17) 0.0129(19) -0.0040(16)
C7 0.0467(19) 0.0374(18) 0.0376(18) 0.0105(15) -0.0011(15) 0.0024(14)
C9 0.064(3) 0.052(2) 0.081(3) -0.007(2) 0.001(2) -0.026(2)
C11 0.070(3) 0.073(3) 0.040(2) -0.004(2) 0.0051(19) 0.0056(19)
C12 0.064(2) 0.046(2) 0.049(2) -0.0087(17) -0.0012(18) 0.0025(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'
N N 0.0061 0.0033 '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'
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'
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
C7 N2 H2A . . 109.5 ?
C7 N2 H2B . . 109.5 ?
H2A N2 H2B . . 109.5 ?
C7 N2 H2C . . 109.5 ?
H2A N2 H2C . . 109.5 ?
H2B N2 H2C . . 109.5 ?
C13 N3 H3A . . 109.5 ?
C13 N3 H3B . . 109.5 ?
H3A N3 H3B . . 109.5 ?
C13 N3 H3C . . 109.5 ?
H3A N3 H3C . . 109.5 ?
H3B N3 H3C . . 109.5 ?
C1 N1 H1C . . 109.5 ?
C1 N1 H1A . . 109.5 ?
H1C N1 H1A . . 109.5 ?
C1 N1 H1B . . 109.5 ?
H1C N1 H1B . . 109.5 ?
H1A N1 H1B . . 109.5 ?
C19 N4 H4A . . 109.5 ?
C19 N4 H4B . . 109.5 ?
H4A N4 H4B . . 109.5 ?
C19 N4 H4C . . 109.5 ?
H4A N4 H4C . . 109.5 ?
H4B N4 H4C . . 109.5 ?
C19 C24 C23 . . 119.0(3) ?
C19 C24 H24 . . 120.5 ?
C23 C24 H24 . . 120.5 ?
C24 C19 C20 . . 121.7(3) ?
C24 C19 N4 . . 119.3(3) ?
C20 C19 N4 . . 119.0(3) ?
C22 C23 C24 . . 119.6(4) ?
C22 C23 H23 . . 120.2 ?
C24 C23 H23 . . 120.2 ?
C21 C22 C23 . . 121.1(4) ?
C21 C22 H22 . . 119.4 ?
C23 C22 H22 . . 119.4 ?
C19 C20 C21 . . 118.7(3) ?
C19 C20 H20 . . 120.7 ?
C21 C20 H20 . . 120.7 ?
C22 C21 C20 . . 119.8(4) ?
C22 C21 H21 . . 120.1 ?
C20 C21 H21 . . 120.1 ?
C6 C1 C2 . . 122.2(4) ?
C6 C1 N1 . . 119.6(3) ?
C2 C1 N1 . . 118.3(4) ?
C1 C2 C3 . . 118.6(4) ?
C1 C2 H2 . . 120.7 ?
C3 C2 H2 . . 120.7 ?
C2 C3 C4 . . 121.3(4) ?
C2 C3 H3 . . 119.4 ?
C4 C3 H3 . . 119.4 ?
C3 C4 C5 . . 119.1(4) ?
C3 C4 H4 . . 120.4 ?
C5 C4 H4 . . 120.4 ?
C1 C6 C5 . . 119.3(4) ?
C1 C6 H6 . . 120.3 ?
C5 C6 H6 . . 120.3 ?
C6 C5 C4 . . 119.5(4) ?
C6 C5 H5 . . 120.3 ?
C4 C5 H5 . . 120.3 ?
Cl4 Sn Cl3 . . 89.70(4) ?
Cl4 Sn Cl1 . . 91.31(4) ?
Cl3 Sn Cl1 . . 91.14(4) ?
Cl4 Sn Cl5 . . 179.12(3) ?
Cl3 Sn Cl5 . . 90.60(4) ?
Cl1 Sn Cl5 . . 89.51(4) ?
Cl4 Sn Cl6 . . 92.15(3) ?
Cl3 Sn Cl6 . . 177.85(3) ?
Cl1 Sn Cl6 . . 89.92(3) ?
Cl5 Sn Cl6 . . 87.53(3) ?
Cl4 Sn Cl2 . . 89.28(4) ?
Cl3 Sn Cl2 . . 90.83(4) ?
Cl1 Sn Cl2 . . 177.95(3) ?
Cl5 Sn Cl2 . . 89.89(3) ?
Cl6 Sn Cl2 . . 88.10(3) ?
C15 C16 C17 . . 120.0(3) ?
C15 C16 H16 . . 120.0 ?
C17 C16 H16 . . 120.0 ?
C14 C13 C18 . . 121.3(3) ?
C14 C13 N3 . . 119.2(3) ?
C18 C13 N3 . . 119.5(3) ?
C16 C15 C14 . . 120.4(3) ?
C16 C15 H15 . . 119.8 ?
C14 C15 H15 . . 119.8 ?
C13 C14 C15 . . 118.8(3) ?
C13 C14 H14 . . 120.6 ?
C15 C14 H14 . . 120.6 ?
C13 C18 C17 . . 119.3(3) ?
C13 C18 H18 . . 120.3 ?
C17 C18 H18 . . 120.3 ?
C16 C17 C18 . . 120.1(3) ?
C16 C17 H17 . . 120.0 ?
C18 C17 H17 . . 120.0 ?
C11 C10 C9 . . 120.0(3) ?
C11 C10 H10 . . 120.0 ?
C9 C10 H10 . . 120.0 ?
C7 C8 C9 . . 117.8(3) ?
C7 C8 H8 . . 121.1 ?
C9 C8 H8 . . 121.1 ?
C12 C7 C8 . . 122.0(3) ?
C12 C7 N2 . . 118.8(3) ?
C8 C7 N2 . . 119.1(3) ?
C10 C9 C8 . . 120.9(3) ?
C10 C9 H9 . . 119.5 ?
C8 C9 H9 . . 119.5 ?
C10 C11 C12 . . 120.5(4) ?
C10 C11 H11 . . 119.7 ?
C12 C11 H11 . . 119.7 ?
C7 C12 C11 . . 118.7(3) ?
C7 C12 H12 . . 120.7 ?
C11 C12 H12 . . 120.7 ?
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
N2 C7 . 1.475(4) ?
N2 H2A . 0.8900 ?
N2 H2B . 0.8900 ?
N2 H2C . 0.8900 ?
N3 C13 . 1.472(4) ?
N3 H3A . 0.8900 ?
N3 H3B . 0.8900 ?
N3 H3C . 0.8900 ?
N1 C1 . 1.472(4) ?
N1 H1C . 0.8900 ?
N1 H1A . 0.8900 ?
N1 H1B . 0.8900 ?
N4 C19 . 1.470(4) ?
N4 H4A . 0.8900 ?
N4 H4B . 0.8900 ?
N4 H4C . 0.8900 ?
C24 C19 . 1.368(4) ?
C24 C23 . 1.378(5) ?
C24 H24 . 0.9300 ?
C19 C20 . 1.369(4) ?
C23 C22 . 1.370(5) ?
C23 H23 . 0.9300 ?
C22 C21 . 1.359(5) ?
C22 H22 . 0.9300 ?
C20 C21 . 1.386(5) ?
C20 H20 . 0.9300 ?
C21 H21 . 0.9300 ?
C1 C6 . 1.350(5) ?
C1 C2 . 1.362(5) ?
C2 C3 . 1.362(5) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.363(6) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.393(6) ?
C4 H4 . 0.9300 ?
C6 C5 . 1.374(5) ?
C6 H6 . 0.9300 ?
C5 H5 . 0.9300 ?
Sn Cl4 . 2.4057(10) yes
Sn Cl3 . 2.4223(10) yes
Sn Cl1 . 2.4292(10) yes
Sn Cl5 . 2.4366(10) yes
Sn Cl6 . 2.4533(10) yes
Sn Cl2 . 2.4541(10) yes
C16 C15 . 1.363(5) ?
C16 C17 . 1.367(5) ?
C16 H16 . 0.9300 ?
C13 C14 . 1.363(4) ?
C13 C18 . 1.364(4) ?
C15 C14 . 1.378(5) ?
C15 H15 . 0.9300 ?
C14 H14 . 0.9300 ?
C18 C17 . 1.373(4) ?
C18 H18 . 0.9300 ?
C17 H17 . 0.9300 ?
C10 C11 . 1.353(5) ?
C10 C9 . 1.370(5) ?
C10 H10 . 0.9300 ?
C8 C7 . 1.369(4) ?
C8 C9 . 1.376(5) ?
C8 H8 . 0.9300 ?
C7 C12 . 1.365(4) ?
C9 H9 . 0.9300 ?
C11 C12 . 1.377(4) ?
C11 H11 . 0.9300 ?
C12 H12 . 0.9300 ?
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
N2 H2A Cl7 1_554 0.89 2.21 3.098(3) 175
N2 H2B Cl6 4 0.89 2.53 3.266(3) 141
N2 H2B Cl1 4 0.89 2.82 3.538(3) 139
N2 H2C Cl8 3_655 0.89 2.28 3.167(3) 173
N3 H3A Cl2 4_566 0.89 2.46 3.280(3) 154
N3 H3B Cl8 3_656 0.89 2.32 3.210(3) 176
N3 H3C Cl7 . 0.89 2.22 3.097(3) 168
N1 H1C Cl8 1_565 0.89 2.26 3.148(3) 172
N1 H1A Cl8 2_655 0.89 2.50 3.307(3) 151
N1 H1B Cl5 1_565 0.89 2.63 3.459(3) 156
N4 H4A Cl7 3_556 0.89 2.60 3.267(3) 133
N4 H4B Cl7 4_565 0.89 2.51 3.313(3) 150
N4 H4C Cl1 2 0.89 2.80 3.553(3) 143
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
C23 C24 C19 C20 . . . . 0.2(5) ?
C23 C24 C19 N4 . . . . -179.6(3) ?
C19 C24 C23 C22 . . . . -0.3(6) ?
C24 C23 C22 C21 . . . . 0.6(6) ?
C24 C19 C20 C21 . . . . -0.5(5) ?
N4 C19 C20 C21 . . . . 179.3(3) ?
C23 C22 C21 C20 . . . . -0.9(6) ?
C19 C20 C21 C22 . . . . 0.9(6) ?
C6 C1 C2 C3 . . . . -0.6(6) ?
N1 C1 C2 C3 . . . . 178.4(4) ?
C1 C2 C3 C4 . . . . 1.2(7) ?
C2 C3 C4 C5 . . . . -1.0(7) ?
C2 C1 C6 C5 . . . . -0.2(6) ?
N1 C1 C6 C5 . . . . -179.2(4) ?
C1 C6 C5 C4 . . . . 0.4(7) ?
C3 C4 C5 C6 . . . . 0.1(7) ?
C17 C16 C15 C14 . . . . -0.9(6) ?
C18 C13 C14 C15 . . . . 1.4(6) ?
N3 C13 C14 C15 . . . . 179.1(3) ?
C16 C15 C14 C13 . . . . 0.2(6) ?
C14 C13 C18 C17 . . . . -2.2(6) ?
N3 C13 C18 C17 . . . . -179.8(3) ?
C15 C16 C17 C18 . . . . 0.1(6) ?
C13 C18 C17 C16 . . . . 1.4(6) ?
C9 C8 C7 C12 . . . . -0.3(5) ?
C9 C8 C7 N2 . . . . 178.5(3) ?
C11 C10 C9 C8 . . . . -0.3(6) ?
C7 C8 C9 C10 . . . . 0.7(6) ?
C9 C10 C11 C12 . . . . -0.4(6) ?
C8 C7 C12 C11 . . . . -0.5(5) ?
N2 C7 C12 C11 . . . . -179.2(3) ?
C10 C11 C12 C7 . . . . 0.8(6) ?