# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mx9074
_database_code_depnum_ccdc_archive 'CCDC 2086423'
loop_
_audit_author_name
_audit_author_address
'Hui Peng'
;Beijing Institute of Technology   
China
;
_audit_update_record             
;
2021-05-28 deposited with the CCDC.	2021-07-14 downloaded from the CCDC.
;
_audit_creation_date             2021-01-05
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl3 Sn, C16 H36 N'
_chemical_formula_sum            'C16 H36 Cl3 N Sn'
_chemical_formula_weight         467.50
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNClSn
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'
Cl Cl 0.1484 0.1585 '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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_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                   9.7485(5)
_cell_length_b                   13.2735(5)
_cell_length_c                   18.4175(10)
_cell_angle_alpha                90
_cell_angle_beta                 104.528(5)
_cell_angle_gamma                90
_cell_volume                     2307.0(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7140
_cell_measurement_temperature    220.01(10)
_cell_measurement_theta_max      24.9880
_cell_measurement_theta_min      1.8800
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.451
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56095
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0174
_diffrn_reflns_av_unetI/netI     0.0209
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.845
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            19216
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.845
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.998
_diffrn_reflns_theta_min         1.913
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      220.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.845
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -18.00  67.00   0.50   10.00    --  -11.40  45.00   1.96  170
  2  ω    -73.00  16.00   0.50   10.00    --  -11.40  45.00  93.02  178
  3  ω     31.00  78.00   0.50   10.00    --  -11.40  45.00  93.02   94
  4  ω    -98.00 -31.00   0.50   10.00    --  -11.40  45.00   1.96  134
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0324383000
_diffrn_orient_matrix_UB_12      0.0120197000
_diffrn_orient_matrix_UB_13      0.0293426000
_diffrn_orient_matrix_UB_21      -0.0312510000
_diffrn_orient_matrix_UB_22      -0.0486113000
_diffrn_orient_matrix_UB_23      -0.0030416000
_diffrn_orient_matrix_UB_31      0.0601353000
_diffrn_orient_matrix_UB_32      -0.0185968000
_diffrn_orient_matrix_UB_33      0.0267454000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3848
_reflns_number_total             6208
_reflns_odcompleteness_completeness 99.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.865
_refine_diff_density_min         -1.071
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         6208
_refine_ls_number_restraints     97
_refine_ls_R_factor_all          0.1087
_refine_ls_R_factor_gt           0.0742
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0961P)²+3.3463P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2097
_refine_ls_wR_factor_ref         0.2304
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C6-C5 = C6A-C5A = C7-C6A = C7-C6
 1.54 with sigma of 0.01
 C20-C19 = C20A-C19 = C21A-C20A = C21-C20
 1.54 with sigma of 0.02
 C19-C18
 1.54 with sigma of 0.01
 C21-C19
 2.5 with sigma of 0.02
 C19-C21A
 2.5 with sigma of 0.02
 C20A-C18
 2.5 with sigma of 0.02
 C18-C20
 2.5 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C20 \\sim C21 \\sim C20A \\sim C21A: within 1.7A with sigma of 0.02 and sigma
for terminal atoms of 0.04 within 1.7A
C7 \\sim C6 \\sim C5 \\sim C6A \\sim C5A: within 1.7A with sigma of 0.02 and
sigma for terminal atoms of 0.04 within 1.7A
4. Others
 Sof(H7BC)=Sof(H7BD)=Sof(C6A)=Sof(H6AA)=Sof(H6AB)=Sof(C5A)=Sof(H5AA)=Sof(H5AB)=
 Sof(H5AC)=1-FVAR(1)
 Sof(H7AA)=Sof(H7AB)=Sof(C6)=Sof(H6A)=Sof(H6B)=Sof(C5)=Sof(H5A)=Sof(H5B)=
 Sof(H5C)=FVAR(1)
 Sof(H19C)=Sof(H19D)=Sof(C20A)=Sof(H20C)=Sof(H20D)=Sof(C21A)=Sof(H21D)=
 Sof(H21E)=Sof(H21F)=1-FVAR(2)
 Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H19A)=Sof(H19B)=Sof(C21)=Sof(H21A)=Sof(H21B)=
 Sof(H21C)=FVAR(2)
5.a Riding coordinates:
 C21(H21A,H21B,H21C), C21A(H21D,H21E,H21F)
5.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C11(H11A,H11B), C14(H14A,H14B), C8(H8A,H8B), C18(H18A,H18B),
 C15(H15A,H15B), C12(H12A,H12B), C16(H16A,H16B), C20(H20A,H20B), C7(H7AA,H7AB),
 C7(H7BC,H7BD), C19(H19A,H19B), C19(H19C,H19D), C6(H6A,H6B), C6A(H6AA,H6AB),
 C20A(H20C,H20D)
5.c Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C17(H17A,H17B,H17C), C5(H5A,H5B,H5C), C5A(H5AA,H5AB,H5AC)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 1.04028(5) 0.71978(3) 0.85201(3) 0.0919(2) Uani 1 1 d . . . . .
Cl2 Cl 1.13856(19) 0.86718(14) 0.92554(10) 0.0992(5) Uani 1 1 d . . . . .
Cl3 Cl 0.8076(2) 0.73019(17) 0.87537(12) 0.1078(6) Uani 1 1 d . . . . .
Cl4 Cl 0.9732(4) 0.8106(3) 0.73476(12) 0.2027(19) Uani 1 1 d . . . . .
N9 N 0.4939(5) 0.6833(4) 0.6451(2) 0.0696(11) Uani 1 1 d . . . . .
C10 C 0.5653(7) 0.7840(4) 0.6511(3) 0.0783(15) Uani 1 1 d . . . . .
H10A H 0.649014 0.781250 0.692714 0.094 Uiso 1 1 calc R U . . .
H10B H 0.501777 0.833389 0.663823 0.094 Uiso 1 1 calc R U . . .
C11 C 0.6095(7) 0.8217(5) 0.5834(3) 0.0797(15) Uani 1 1 d . . . . .
H11A H 0.529308 0.819058 0.539810 0.096 Uiso 1 1 calc R U . . .
H11B H 0.683496 0.778657 0.573840 0.096 Uiso 1 1 calc R U . . .
C14 C 0.5827(6) 0.6031(4) 0.6218(4) 0.0799(15) Uani 1 1 d . . . . .
H14A H 0.531515 0.539912 0.618343 0.096 Uiso 1 1 calc R U . . .
H14B H 0.591502 0.619340 0.571815 0.096 Uiso 1 1 calc R U . . .
C8 C 0.3548(6) 0.6855(7) 0.5858(4) 0.095(2) Uani 1 1 d . . . . .
H8A H 0.378892 0.696864 0.538418 0.114 Uiso 1 1 calc R U . . .
H8B H 0.316859 0.617681 0.583465 0.114 Uiso 1 1 calc R U . . .
C18 C 0.4713(7) 0.6645(6) 0.7212(3) 0.097(2) Uani 1 1 d D . . . .
H18A H 0.563851 0.659552 0.756181 0.116 Uiso 1 1 calc R U . . .
H18B H 0.425239 0.723482 0.735291 0.116 Uiso 1 1 calc R U . . .
C15 C 0.7280(7) 0.5868(6) 0.6707(5) 0.100(2) Uani 1 1 d . . . . .
H15A H 0.722309 0.560898 0.719133 0.120 Uiso 1 1 calc R U . . .
H15B H 0.779479 0.650023 0.678634 0.120 Uiso 1 1 calc R U . . .
C12 C 0.6635(9) 0.9293(5) 0.5958(5) 0.107(2) Uani 1 1 d . . . . .
H12A H 0.587046 0.972401 0.602254 0.128 Uiso 1 1 calc R U . . .
H12B H 0.738501 0.932142 0.641749 0.128 Uiso 1 1 calc R U . . .
C13 C 0.7189(11) 0.9691(6) 0.5325(5) 0.124(3) Uani 1 1 d . . . . .
H13A H 0.643059 0.972345 0.487806 0.186 Uiso 1 1 calc R U . . .
H13B H 0.791799 0.925202 0.524368 0.186 Uiso 1 1 calc R U . . .
H13C H 0.757271 1.035339 0.544917 0.186 Uiso 1 1 calc R U . . .
C16 C 0.8057(10) 0.5103(7) 0.6316(7) 0.147(4) Uani 1 1 d . . . . .
H16A H 0.750713 0.448603 0.622224 0.176 Uiso 1 1 calc R U . . .
H16B H 0.810861 0.537516 0.583523 0.176 Uiso 1 1 calc R U . . .
C20 C 0.314(4) 0.590(4) 0.7963(19) 0.175(10) Uani 0.150(15) 1 d D U P A 1
H20A H 0.271807 0.656874 0.792572 0.211 Uiso 0.150(15) 1 calc R U P A 1
H20B H 0.239344 0.540825 0.792364 0.211 Uiso 0.150(15) 1 calc R U P A 1
C7 C 0.2460(9) 0.7477(10) 0.5861(5) 0.148(4) Uani 1 1 d D U . . .
H7AA H 0.265204 0.815246 0.571101 0.177 Uiso 0.593(17) 1 calc R U P B 1
H7AB H 0.227761 0.750499 0.635436 0.177 Uiso 0.593(17) 1 calc R U P B 1
H7BC H 0.288513 0.814031 0.595314 0.177 Uiso 0.407(17) 1 calc R U P B 2
H7BD H 0.217005 0.730106 0.631130 0.177 Uiso 0.407(17) 1 calc R U P B 2
C19 C 0.3880(10) 0.5749(7) 0.7328(5) 0.128(3) Uani 1 1 d D . . . .
H19A H 0.450679 0.517115 0.744394 0.154 Uiso 0.150(15) 1 calc R U P A 1
H19B H 0.317250 0.560375 0.686640 0.154 Uiso 0.150(15) 1 calc R U P A 1
H19C H 0.430577 0.513424 0.720054 0.154 Uiso 0.850(15) 1 calc R U P A 2
H19D H 0.291299 0.579278 0.702393 0.154 Uiso 0.850(15) 1 calc R U P A 2
C6 C 0.1176(14) 0.7000(14) 0.5276(10) 0.147(6) Uani 0.593(17) 1 d D U P B 1
H6A H 0.136664 0.695428 0.478529 0.177 Uiso 0.593(17) 1 calc R U P B 1
H6B H 0.096342 0.633225 0.543305 0.177 Uiso 0.593(17) 1 calc R U P B 1
C17 C 0.9480(12) 0.4864(10) 0.6751(8) 0.171(5) Uani 1 1 d . . . . .
H17A H 0.988497 0.436126 0.649221 0.256 Uiso 1 1 calc R U . . .
H17B H 0.944278 0.461206 0.723381 0.256 Uiso 1 1 calc R U . . .
H17C H 1.005405 0.546093 0.681284 0.256 Uiso 1 1 calc R U . . .
C21 C 0.423(7) 0.579(8) 0.8716(12) 0.174(13) Uani 0.150(15) 1 d D U P A 1
H21A H 0.378150 0.550923 0.907811 0.260 Uiso 0.150(15) 1 d R U P A 1
H21B H 0.460860 0.644173 0.888261 0.260 Uiso 0.150(15) 1 d R U P A 1
H21C H 0.498140 0.535483 0.865931 0.260 Uiso 0.150(15) 1 d R U P A 1
C5 C -0.0045(14) 0.7731(15) 0.5267(10) 0.155(7) Uani 0.593(17) 1 d D U P B 1
H5A H 0.009855 0.834114 0.501621 0.232 Uiso 0.593(17) 1 calc R U P B 1
H5B H -0.007492 0.788184 0.577231 0.232 Uiso 0.593(17) 1 calc R U P B 1
H5C H -0.092456 0.742703 0.500562 0.232 Uiso 0.593(17) 1 calc R U P B 1
C6A C 0.106(2) 0.765(2) 0.5259(17) 0.152(7) Uani 0.407(17) 1 d D U P B 2
H6AA H 0.051560 0.820936 0.537694 0.182 Uiso 0.407(17) 1 calc R U P B 2
H6AB H 0.120031 0.772686 0.475909 0.182 Uiso 0.407(17) 1 calc R U P B 2
C5A C 0.042(3) 0.662(2) 0.5374(16) 0.180(10) Uani 0.407(17) 1 d D U P B 2
H5AA H -0.026837 0.643509 0.492385 0.270 Uiso 0.407(17) 1 calc R U P B 2
H5AB H -0.002933 0.666986 0.578075 0.270 Uiso 0.407(17) 1 calc R U P B 2
H5AC H 0.115728 0.612664 0.548932 0.270 Uiso 0.407(17) 1 calc R U P B 2
C20A C 0.3925(12) 0.5775(11) 0.8202(6) 0.160(6) Uani 0.850(15) 1 d D U P A 2
H20C H 0.489250 0.571580 0.850338 0.192 Uiso 0.850(15) 1 calc R U P A 2
H20D H 0.352928 0.640186 0.832985 0.192 Uiso 0.850(15) 1 calc R U P A 2
C21A C 0.3069(15) 0.4911(11) 0.8337(7) 0.178(7) Uani 0.850(15) 1 d D U P A 2
H21D H 0.209245 0.502092 0.808537 0.266 Uiso 0.850(15) 1 d R U P A 2
H21E H 0.316075 0.484131 0.886617 0.266 Uiso 0.850(15) 1 d R U P A 2
H21F H 0.339865 0.430741 0.814837 0.266 Uiso 0.850(15) 1 d R U P A 2


_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
Sn1 Cl2 2.4349(19) . ?
Sn1 Cl3 2.416(2) . ?
Sn1 Cl4 2.416(3) . ?
N9 C10 1.498(8) . ?
N9 C14 1.500(7) . ?
N9 C8 1.513(7) . ?
N9 C18 1.495(7) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.504(9) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.520(9) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.492(9) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C7 1.346(12) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.485(8) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.549(12) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.498(11) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.452(14) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C19 1.534(19) . ?
C20 C21 1.53(2) . ?
C7 H7AA 0.9700 . ?
C7 H7AB 0.9700 . ?
C7 H7BC 0.9700 . ?
C7 H7BD 0.9700 . ?
C7 C6 1.565(9) . ?
C7 C6A 1.544(10) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 H19C 0.9700 . ?
C19 H19D 0.9700 . ?
C19 C20A 1.601(11) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C5 1.532(10) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C21 H21A 0.9601 . ?
C21 H21B 0.9599 . ?
C21 H21C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6A H6AA 0.9700 . ?
C6A H6AB 0.9700 . ?
C6A C5A 1.531(10) . ?
C5A H5AA 0.9600 . ?
C5A H5AB 0.9600 . ?
C5A H5AC 0.9600 . ?
C20A H20C 0.9700 . ?
C20A H20D 0.9700 . ?
C20A C21A 1.476(15) . ?
C21A H21D 0.9601 . ?
C21A H21E 0.9601 . ?
C21A H21F 0.9599 . ?

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
Cl3 Sn1 Cl2 96.37(7) . . ?
Cl4 Sn1 Cl2 94.39(9) . . ?
Cl4 Sn1 Cl3 94.29(11) . . ?
C10 N9 C14 111.3(4) . . ?
C10 N9 C8 110.6(5) . . ?
C14 N9 C8 106.5(5) . . ?
C18 N9 C10 104.8(5) . . ?
C18 N9 C14 112.4(5) . . ?
C18 N9 C8 111.4(5) . . ?
N9 C10 H10A 108.0 . . ?
N9 C10 H10B 108.0 . . ?
N9 C10 C11 117.3(5) . . ?
H10A C10 H10B 107.2 . . ?
C11 C10 H10A 108.0 . . ?
C11 C10 H10B 108.0 . . ?
C10 C11 H11A 109.6 . . ?
C10 C11 H11B 109.6 . . ?
C10 C11 C12 110.4(5) . . ?
H11A C11 H11B 108.1 . . ?
C12 C11 H11A 109.6 . . ?
C12 C11 H11B 109.6 . . ?
N9 C14 H14A 108.0 . . ?
N9 C14 H14B 108.0 . . ?
H14A C14 H14B 107.2 . . ?
C15 C14 N9 117.3(5) . . ?
C15 C14 H14A 108.0 . . ?
C15 C14 H14B 108.0 . . ?
N9 C8 H8A 106.1 . . ?
N9 C8 H8B 106.1 . . ?
H8A C8 H8B 106.3 . . ?
C7 C8 N9 125.0(7) . . ?
C7 C8 H8A 106.1 . . ?
C7 C8 H8B 106.1 . . ?
N9 C18 H18A 107.6 . . ?
N9 C18 H18B 107.6 . . ?
H18A C18 H18B 107.0 . . ?
C19 C18 N9 118.9(6) . . ?
C19 C18 H18A 107.6 . . ?
C19 C18 H18B 107.6 . . ?
C14 C15 H15A 110.0 . . ?
C14 C15 H15B 110.0 . . ?
C14 C15 C16 108.4(7) . . ?
H15A C15 H15B 108.4 . . ?
C16 C15 H15A 110.0 . . ?
C16 C15 H15B 110.0 . . ?
C11 C12 H12A 109.0 . . ?
C11 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
C13 C12 C11 113.1(6) . . ?
C13 C12 H12A 109.0 . . ?
C13 C12 H12B 109.0 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C16 H16A 108.9 . . ?
C15 C16 H16B 108.9 . . ?
H16A C16 H16B 107.7 . . ?
C17 C16 C15 113.5(10) . . ?
C17 C16 H16A 108.9 . . ?
C17 C16 H16B 108.9 . . ?
H20A C20 H20B 108.3 . . ?
C19 C20 H20A 109.9 . . ?
C19 C20 H20B 109.9 . . ?
C21 C20 H20A 109.9 . . ?
C21 C20 H20B 109.9 . . ?
C21 C20 C19 109.1(19) . . ?
C8 C7 H7AA 110.9 . . ?
C8 C7 H7AB 110.9 . . ?
C8 C7 H7BC 104.8 . . ?
C8 C7 H7BD 104.8 . . ?
C8 C7 C6 104.1(10) . . ?
C8 C7 C6A 130.1(18) . . ?
H7AA C7 H7AB 108.9 . . ?
H7BC C7 H7BD 105.8 . . ?
C6 C7 H7AA 110.9 . . ?
C6 C7 H7AB 110.9 . . ?
C6A C7 H7BC 104.8 . . ?
C6A C7 H7BD 104.8 . . ?
C18 C19 C20 112.4(17) . . ?
C18 C19 H19A 109.1 . . ?
C18 C19 H19B 109.1 . . ?
C18 C19 H19C 110.9 . . ?
C18 C19 H19D 110.9 . . ?
C18 C19 C20A 104.4(8) . . ?
C20 C19 H19A 109.1 . . ?
C20 C19 H19B 109.1 . . ?
H19A C19 H19B 107.9 . . ?
H19C C19 H19D 108.9 . . ?
C20A C19 H19C 110.9 . . ?
C20A C19 H19D 110.9 . . ?
C7 C6 H6A 111.0 . . ?
C7 C6 H6B 111.0 . . ?
H6A C6 H6B 109.0 . . ?
C5 C6 C7 103.7(11) . . ?
C5 C6 H6A 111.0 . . ?
C5 C6 H6B 111.0 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C20 C21 H21A 109.6 . . ?
C20 C21 H21B 109.1 . . ?
C20 C21 H21C 109.7 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C6 C5 H5A 109.5 . . ?
C6 C5 H5B 109.5 . . ?
C6 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6A H6AA 112.7 . . ?
C7 C6A H6AB 112.7 . . ?
H6AA C6A H6AB 110.2 . . ?
C5A C6A C7 95.0(15) . . ?
C5A C6A H6AA 112.7 . . ?
C5A C6A H6AB 112.7 . . ?
C6A C5A H5AA 109.5 . . ?
C6A C5A H5AB 109.5 . . ?
C6A C5A H5AC 109.5 . . ?
H5AA C5A H5AB 109.5 . . ?
H5AA C5A H5AC 109.5 . . ?
H5AB C5A H5AC 109.5 . . ?
C19 C20A H20C 110.5 . . ?
C19 C20A H20D 110.5 . . ?
H20C C20A H20D 108.7 . . ?
C21A C20A C19 106.2(10) . . ?
C21A C20A H20C 110.5 . . ?
C21A C20A H20D 110.5 . . ?
C20A C21A H21D 109.5 . . ?
C20A C21A H21E 109.4 . . ?
C20A C21A H21F 109.5 . . ?
H21D C21A H21E 109.5 . . ?
H21D C21A H21F 109.5 . . ?
H21E C21A H21F 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
N9 C10 C11 C12 173.2(6) . . . . ?
N9 C14 C15 C16 -173.6(6) . . . . ?
N9 C8 C7 C6 -164.6(10) . . . . ?
N9 C8 C7 C6A 173.2(16) . . . . ?
N9 C18 C19 C20 -152(2) . . . . ?
N9 C18 C19 C20A 177.7(7) . . . . ?
C10 N9 C14 C15 58.3(7) . . . . ?
C10 N9 C8 C7 -58.8(10) . . . . ?
C10 N9 C18 C19 173.5(7) . . . . ?
C10 C11 C12 C13 176.0(7) . . . . ?
C14 N9 C10 C11 55.1(7) . . . . ?
C14 N9 C8 C7 -179.9(8) . . . . ?
C14 N9 C18 C19 -65.5(8) . . . . ?
C14 C15 C16 C17 -178.6(9) . . . . ?
C8 N9 C10 C11 -63.1(7) . . . . ?
C8 N9 C14 C15 178.9(6) . . . . ?
C8 N9 C18 C19 53.9(9) . . . . ?
C8 C7 C6 C5 -178.3(13) . . . . ?
C8 C7 C6A C5A 71(3) . . . . ?
C18 N9 C10 C11 176.8(5) . . . . ?
C18 N9 C14 C15 -58.9(7) . . . . ?
C18 N9 C8 C7 57.3(10) . . . . ?
C18 C19 C20A C21A 178.3(9) . . . . ?
C21 C20 C19 C18 -77(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.464
_oxdiff_exptl_absorpt_empirical_full_min 0.622
