# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_p21c
_database_code_depnum_ccdc_archive 'CCDC 2156933'
loop_
_audit_author_name
_audit_author_address
'kunjie liu'
;University of Science and Technology Beijing
China
;
_audit_update_record             
;
2022-03-07 deposited with the CCDC.	2022-06-16 downloaded from the CCDC.
;
_audit_creation_date             2021-09-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl6 Sn, 2(Cl), 2(C9 H15 N3)'
_chemical_formula_sum            'C18 H30 Cl8 N6 Sn'
_chemical_formula_weight         732.77
_chemical_melting_point          ?
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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.9022(2)
_cell_length_b                   12.7690(3)
_cell_length_c                   12.5449(3)
_cell_angle_alpha                90
_cell_angle_beta                 101.2990(10)
_cell_angle_gamma                90
_cell_volume                     1398.37(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9918
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.38
_cell_measurement_theta_min      2.30
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.699
_exptl_absorpt_correction_T_max  0.0276
_exptl_absorpt_correction_T_min  0.0112
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0576 before and 0.0426 after correction. The Ratio of minimum to maximum transmission is 0.4058. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   ?
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.740
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             732
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_unetI/netI     0.0131
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            22895
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.383
_diffrn_reflns_theta_min         2.299
_diffrn_ambient_temperature      150.0
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker SMART CCD 1K area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2659
_reflns_number_total             2865
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.362
_refine_diff_density_min         -0.169
_refine_diff_density_rms         0.044
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     151
_refine_ls_number_reflns         2865
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0190
_refine_ls_R_factor_gt           0.0164
_refine_ls_restrained_S_all      1.048
_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)+(0.0205P)²+0.4281P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0406
_refine_ls_wR_factor_ref         0.0416
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups, All N(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 N3(H3A,H3B), C6(H6A,H6B), C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B)
2.b Aromatic/amide H refined with riding coordinates:
 N1(H1), C1(H1A), C2(H2), C3(H3), C4(H4)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.000000 0.500000 0.000000 0.02839(5) Uani 1 2 d S T P . .
Cl1 Cl 0.01830(5) 0.61820(3) 0.15215(3) 0.03935(10) Uani 1 1 d . . . . .
Cl2 Cl 0.22751(5) 0.41035(3) 0.09568(3) 0.03858(10) Uani 1 1 d . . . . .
Cl3 Cl -0.16993(5) 0.38512(3) 0.07772(3) 0.03948(10) Uani 1 1 d . . . . .
Cl4 Cl 0.44010(5) 0.61254(3) 0.62419(3) 0.03817(10) Uani 1 1 d . . . . .
N1 N 0.74549(16) 0.62393(11) 0.53994(11) 0.0345(3) Uani 1 1 d . . . . .
H1 H 0.649927 0.621373 0.548828 0.041 Uiso 1 1 calc R . . . .
N2 N 0.65111(15) 0.65524(11) 0.35589(11) 0.0342(3) Uani 1 1 d . . . . .
N3 N 0.39240(16) 0.65494(12) 0.18251(12) 0.0377(3) Uani 1 1 d . . . . .
H3A H 0.311552 0.622196 0.139873 0.045 Uiso 1 1 calc R . . . .
H3B H 0.393974 0.722491 0.159625 0.045 Uiso 1 1 calc R . . . .
C1 C 0.8596(2) 0.60865(13) 0.62824(14) 0.0382(4) Uani 1 1 d . . . . .
H1A H 0.834395 0.596287 0.697315 0.046 Uiso 1 1 calc R . . . .
C2 C 1.0081(2) 0.61084(14) 0.61887(15) 0.0404(4) Uani 1 1 d . . . . .
H2 H 1.087840 0.599156 0.680068 0.048 Uiso 1 1 calc R . . . .
C3 C 1.0408(2) 0.63093(14) 0.51583(15) 0.0396(4) Uani 1 1 d . . . . .
H3 H 1.144361 0.633681 0.507230 0.048 Uiso 1 1 calc R . . . .
C4 C 0.92570(19) 0.64661(13) 0.42760(14) 0.0361(4) Uani 1 1 d . . . . .
H4 H 0.949676 0.660055 0.358344 0.043 Uiso 1 1 calc R . . . .
C5 C 0.77236(19) 0.64285(12) 0.43930(13) 0.0325(3) Uani 1 1 d . . . . .
C6 C 0.67345(19) 0.65397(15) 0.24382(13) 0.0383(4) Uani 1 1 d . . . . .
H6A H 0.768412 0.615190 0.239612 0.046 Uiso 1 1 calc R . . . .
H6B H 0.684657 0.726584 0.218834 0.046 Uiso 1 1 calc R . . . .
C7 C 0.5373(2) 0.60184(15) 0.17060(14) 0.0399(4) Uani 1 1 d . . . . .
H7A H 0.549650 0.605883 0.093977 0.048 Uiso 1 1 calc R . . . .
H7B H 0.532930 0.527012 0.190431 0.048 Uiso 1 1 calc R . . . .
C8 C 0.37244(19) 0.65316(15) 0.29815(14) 0.0391(4) Uani 1 1 d . . . . .
H8A H 0.364368 0.579866 0.322141 0.047 Uiso 1 1 calc R . . . .
H8B H 0.276981 0.690269 0.304582 0.047 Uiso 1 1 calc R . . . .
C9 C 0.50775(18) 0.70568(14) 0.36900(14) 0.0360(4) Uani 1 1 d . . . . .
H9A H 0.510029 0.780593 0.349047 0.043 Uiso 1 1 calc R . . . .
H9B H 0.497393 0.701393 0.446023 0.043 Uiso 1 1 calc R . . . .


_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 Cl1 2.4136(4) . ?
Sn1 Cl1 2.4137(4) 3_565 ?
Sn1 Cl2 2.4291(4) 3_565 ?
Sn1 Cl2 2.4291(4) . ?
Sn1 Cl3 2.4431(4) 3_565 ?
Sn1 Cl3 2.4431(4) . ?
N1 C1 1.362(2) . ?
N1 C5 1.352(2) . ?
N2 C5 1.357(2) . ?
N2 C6 1.458(2) . ?
N2 C9 1.467(2) . ?
N3 C7 1.491(2) . ?
N3 C8 1.496(2) . ?
C1 C2 1.350(3) . ?
C2 C3 1.403(3) . ?
C3 C4 1.367(2) . ?
C4 C5 1.402(2) . ?
C6 C7 1.523(2) . ?
C8 C9 1.507(2) . ?

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
Cl1 Sn1 Cl1 180.000(16) . 3_565 ?
Cl1 Sn1 Cl2 90.954(15) 3_565 . ?
Cl1 Sn1 Cl2 89.047(15) 3_565 3_565 ?
Cl1 Sn1 Cl2 89.046(15) . . ?
Cl1 Sn1 Cl2 90.953(15) . 3_565 ?
Cl1 Sn1 Cl3 90.632(15) . . ?
Cl1 Sn1 Cl3 90.632(15) 3_565 3_565 ?
Cl1 Sn1 Cl3 89.368(15) . 3_565 ?
Cl1 Sn1 Cl3 89.368(15) 3_565 . ?
Cl2 Sn1 Cl2 180.0 . 3_565 ?
Cl2 Sn1 Cl3 87.630(15) . 3_565 ?
Cl2 Sn1 Cl3 87.630(15) 3_565 . ?
Cl2 Sn1 Cl3 92.370(15) 3_565 3_565 ?
Cl2 Sn1 Cl3 92.371(15) . . ?
Cl3 Sn1 Cl3 180.0 . 3_565 ?
C5 N1 C1 123.00(15) . . ?
C5 N2 C6 120.26(14) . . ?
C5 N2 C9 122.85(14) . . ?
C6 N2 C9 113.51(13) . . ?
C7 N3 C8 111.09(13) . . ?
C2 C1 N1 120.87(16) . . ?
C1 C2 C3 117.87(16) . . ?
C4 C3 C2 120.98(17) . . ?
C3 C4 C5 120.03(17) . . ?
N1 C5 N2 118.77(15) . . ?
N1 C5 C4 117.25(15) . . ?
N2 C5 C4 123.97(15) . . ?
N2 C6 C7 110.10(14) . . ?
N3 C7 C6 110.05(14) . . ?
N3 C8 C9 109.40(13) . . ?
N2 C9 C8 110.54(14) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_p21c_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2156934'
loop_
_audit_author_name
_audit_author_address
'kunjie liu'
;University of Science and Technology Beijing
China
;
_audit_update_record             
;
2022-03-07 deposited with the CCDC.	2022-06-16 downloaded from the CCDC.
;
_audit_creation_date             2022-03-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Br6 Sn, 2(Br), 2(C9 H15 N3)'
_chemical_formula_sum            'C18 H30 Br8 N6 Sn'
_chemical_formula_weight         1088.45
_chemical_melting_point          ?
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'
Br Br -0.2901 2.4595 '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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.2518(4)
_cell_length_b                   13.1386(6)
_cell_length_c                   12.8258(6)
_cell_angle_alpha                90
_cell_angle_beta                 101.206(2)
_cell_angle_gamma                90
_cell_volume                     1529.33(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3938
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.16
_cell_measurement_theta_min      2.24
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    11.306
_exptl_absorpt_correction_T_max  0.0276
_exptl_absorpt_correction_T_min  0.0099
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0898 before and 0.0669 after correction. The Ratio of minimum to maximum transmission is 0.3587. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    2.364
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1020
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0713
_diffrn_reflns_av_unetI/netI     0.0347
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            27092
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.397
_diffrn_reflns_theta_min         2.728
_diffrn_ambient_temperature      150.0
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker SMART CCD 1K area detector'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART CCD 1K area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2665
_reflns_number_total             3121
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.683
_refine_diff_density_min         -0.469
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     151
_refine_ls_number_reflns         3121
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0353
_refine_ls_R_factor_gt           0.0271
_refine_ls_restrained_S_all      1.022
_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)+(0.0349P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0632
_refine_ls_wR_factor_ref         0.0664
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups, All N(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 N007(H00A,H00B), C00A(H00C,H00D), C00B(H00E,H00F), C00D(H00H,H00I), C00F(H00K,
 H00L)
2.b Aromatic/amide H refined with riding coordinates:
 N006(H006), C00C(H00G), C00E(H00J), C00G(H00M), C00H(H00N)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
Sn01 Sn 1.000000 0.500000 1.000000 0.02782(10) Uani 1 2 d S T P . .
Br02 Br 0.75995(5) 0.58733(3) 0.89984(3) 0.03593(11) Uani 1 1 d . . . . .
Br03 Br 0.58129(5) 0.10909(3) 0.88089(3) 0.03598(11) Uani 1 1 d . . . . .
Br04 Br 1.16688(5) 0.62064(3) 0.91328(3) 0.03968(12) Uani 1 1 d . . . . .
Br05 Br 0.98479(5) 0.37359(3) 0.84480(3) 0.03817(11) Uani 1 1 d . . . . .
N006 N 0.2710(4) 0.3764(2) 0.4683(3) 0.0334(7) Uani 1 1 d . . . . .
H006 H 0.363498 0.377732 0.460608 0.040 Uiso 1 1 calc R . . . .
N007 N 0.6069(4) 0.3475(3) 0.8159(3) 0.0356(8) Uani 1 1 d . . . . .
H00A H 0.682082 0.382474 0.856746 0.043 Uiso 1 1 calc R . . . .
H00B H 0.611608 0.281826 0.838861 0.043 Uiso 1 1 calc R . . . .
N008 N 0.3576(4) 0.3385(3) 0.6474(3) 0.0334(7) Uani 1 1 d . . . . .
C009 C 0.2430(4) 0.3550(3) 0.5648(3) 0.0298(8) Uani 1 1 d . . . . .
C00A C 0.4975(4) 0.2944(3) 0.6349(3) 0.0341(9) Uani 1 1 d . . . . .
H00C H 0.506483 0.298140 0.559288 0.041 Uiso 1 1 calc R . . . .
H00D H 0.500830 0.221828 0.655888 0.041 Uiso 1 1 calc R . . . .
C00B C 0.3366(5) 0.3373(3) 0.7577(3) 0.0367(9) Uani 1 1 d . . . . .
H00E H 0.332736 0.266145 0.782331 0.044 Uiso 1 1 calc R . . . .
H00F H 0.242099 0.370684 0.762305 0.044 Uiso 1 1 calc R . . . .
C00C C 0.0948(5) 0.3525(3) 0.5752(3) 0.0355(9) Uani 1 1 d . . . . .
H00G H 0.070004 0.337538 0.641986 0.043 Uiso 1 1 calc R . . . .
C00D C 0.4629(5) 0.3931(3) 0.8283(3) 0.0381(10) Uani 1 1 d . . . . .
H00H H 0.460433 0.466021 0.808562 0.046 Uiso 1 1 calc R . . . .
H00I H 0.452206 0.388100 0.903475 0.046 Uiso 1 1 calc R . . . .
C00E C 0.1647(5) 0.3962(3) 0.3820(3) 0.0378(10) Uani 1 1 d . . . . .
H00J H 0.191025 0.410890 0.315643 0.045 Uiso 1 1 calc R . . . .
C00F C 0.6246(5) 0.3504(3) 0.7024(3) 0.0375(9) Uani 1 1 d . . . . .
H00K H 0.718845 0.317829 0.695515 0.045 Uiso 1 1 calc R . . . .
H00L H 0.626301 0.421830 0.678182 0.045 Uiso 1 1 calc R . . . .
C00G C -0.0142(5) 0.3719(3) 0.4885(4) 0.0402(10) Uani 1 1 d . . . . .
H00M H -0.114472 0.369509 0.495480 0.048 Uiso 1 1 calc R . . . .
C00H C 0.0209(5) 0.3950(3) 0.3903(4) 0.0407(10) Uani 1 1 d . . . . .
H00N H -0.054325 0.409604 0.330446 0.049 Uiso 1 1 calc R . . . .


_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
Sn01 Br02 2.6058(4) 3_767 ?
Sn01 Br02 2.6058(4) . ?
Sn01 Br04 2.6078(4) . ?
Sn01 Br04 2.6078(4) 3_767 ?
Sn01 Br05 2.5752(4) . ?
Sn01 Br05 2.5752(4) 3_767 ?
N006 C009 1.344(5) . ?
N006 C00E 1.355(5) . ?
N007 C00D 1.498(6) . ?
N007 C00F 1.496(6) . ?
N008 C009 1.363(5) . ?
N008 C00A 1.455(5) . ?
N008 C00B 1.466(5) . ?
C009 C00C 1.403(6) . ?
C00A C00F 1.509(5) . ?
C00B C00D 1.520(6) . ?
C00C C00G 1.371(6) . ?
C00E C00H 1.355(7) . ?
C00G C00H 1.394(7) . ?

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
Br02 Sn01 Br02 180.0 3_767 . ?
Br02 Sn01 Br04 87.670(14) 3_767 . ?
Br02 Sn01 Br04 87.672(14) . 3_767 ?
Br02 Sn01 Br04 92.329(14) . . ?
Br02 Sn01 Br04 92.330(14) 3_767 3_767 ?
Br04 Sn01 Br04 180.0 3_767 . ?
Br05 Sn01 Br02 90.595(14) . 3_767 ?
Br05 Sn01 Br02 89.405(14) 3_767 3_767 ?
Br05 Sn01 Br02 90.595(14) 3_767 . ?
Br05 Sn01 Br02 89.405(14) . . ?
Br05 Sn01 Br04 90.589(15) . . ?
Br05 Sn01 Br04 90.589(15) 3_767 3_767 ?
Br05 Sn01 Br04 89.410(15) 3_767 . ?
Br05 Sn01 Br04 89.412(15) . 3_767 ?
Br05 Sn01 Br05 180.0 3_767 . ?
C009 N006 C00E 123.6(4) . . ?
C00F N007 C00D 111.2(3) . . ?
C009 N008 C00A 123.5(3) . . ?
C009 N008 C00B 121.5(4) . . ?
C00A N008 C00B 113.0(3) . . ?
N006 C009 N008 119.3(4) . . ?
N006 C009 C00C 117.3(4) . . ?
N008 C009 C00C 123.4(4) . . ?
N008 C00A C00F 110.7(3) . . ?
N008 C00B C00D 109.9(4) . . ?
C00G C00C C009 119.8(4) . . ?
N007 C00D C00B 109.9(3) . . ?
N006 C00E C00H 120.2(4) . . ?
N007 C00F C00A 109.0(3) . . ?
C00C C00G C00H 120.6(4) . . ?
C00E C00H C00G 118.5(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_snsbcl
_database_code_depnum_ccdc_archive 'CCDC 2156935'
loop_
_audit_author_name
_audit_author_address
'kunjie liu'
;University of Science and Technology Beijing
China
;
_audit_update_record             
;
2022-03-31 deposited with the CCDC.	2022-06-16 downloaded from the CCDC.
;
_audit_creation_date             2022-03-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl6 Sb0.25 Sn0.75, 2(Cl), 2(C9 H15 N3)'
_chemical_formula_sum            'C18 H30 Cl8 N6 Sb0.25 Sn0.75'
_chemical_formula_weight         733.53
_chemical_melting_point          ?
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'
Sb Sb -0.5866 1.5461 '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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.9165(4)
_cell_length_b                   12.7460(5)
_cell_length_c                   12.5181(5)
_cell_angle_alpha                90
_cell_angle_beta                 101.122(2)
_cell_angle_gamma                90
_cell_volume                     1395.96(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7454
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.32
_cell_measurement_theta_min      2.82
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.720
_exptl_absorpt_correction_T_max  0.0276
_exptl_absorpt_correction_T_min  0.0099
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0835 before and 0.0545 after correction.
The Ratio of minimum to maximum transmission is 0.3587.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.745
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       lump
_exptl_crystal_F_000             732
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_unetI/netI     0.0215
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19412
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         2.824
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker SMART CCD 1K area detector'
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART CCD 1K area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2233
_reflns_number_total             2434
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.478
_refine_diff_density_min         -0.716
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     151
_refine_ls_number_reflns         2434
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0303
_refine_ls_restrained_S_all      1.140
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0324P)²+1.5138P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0712
_refine_ls_wR_factor_ref         0.0730
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups, All N(H,H) groups
2. Shared sites
{Sb1, Sn1}
3. Uiso/Uaniso restraints and constraints
Uanis(Sb1) = Uanis(Sn1)
4. Others
 Fixed Sof: Sb1(0.125) Sn1(0.375)
5.a Secondary CH2 refined with riding coordinates:
 N1(H1A,H1B), C1(H1C,H1D), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B)
5.b Aromatic/amide H refined with riding coordinates:
 N3(H3), C6(H6), C7(H7), C8(H8), C9(H9)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Sb1 Sb 0.000000 0.500000 0.000000 0.02934(11) Uani 0.25 2 d S T P A 3
Sn1 Sn 0.000000 0.500000 0.000000 0.02934(11) Uani 0.75 2 d S T P A 4
Cl4 Cl 0.17112(10) 0.38547(7) -0.07938(7) 0.0410(2) Uani 1 1 d . . . . .
Cl5 Cl 0.02036(10) 0.38152(7) 0.15170(7) 0.0431(2) Uani 1 1 d . . . . .
Cl6 Cl 0.22821(9) 0.59034(7) 0.09604(7) 0.0399(2) Uani 1 1 d . . . . .
Cl7 Cl 0.43951(9) 0.11345(7) 0.12256(7) 0.0383(2) Uani 1 1 d . . . . .
N1 N 0.3946(3) 0.3466(2) 0.1802(2) 0.0397(7) Uani 1 1 d . . . . .
H1A H 0.396321 0.278948 0.157319 0.048 Uiso 1 1 calc R . . . .
H1B H 0.314247 0.379475 0.137285 0.048 Uiso 1 1 calc R . . . .
N2 N 0.6517(3) 0.3459(2) 0.3541(2) 0.0339(6) Uani 1 1 d . . . . .
N3 N 0.7455(3) 0.3760(2) 0.5386(2) 0.0351(6) Uani 1 1 d . . . . .
H3 H 0.650030 0.378639 0.547595 0.042 Uiso 1 1 calc R . . . .
C1 C 0.3739(4) 0.3487(3) 0.2960(3) 0.0404(8) Uani 1 1 d . . . . .
H1C H 0.278050 0.312106 0.302298 0.048 Uiso 1 1 calc R . . . .
H1D H 0.366770 0.422141 0.320105 0.048 Uiso 1 1 calc R . . . .
C2 C 0.5076(4) 0.2953(3) 0.3666(3) 0.0368(7) Uani 1 1 d . . . . .
H2A H 0.496651 0.299031 0.443699 0.044 Uiso 1 1 calc R . . . .
H2B H 0.509631 0.220383 0.345963 0.044 Uiso 1 1 calc R . . . .
C3 C 0.5391(4) 0.3996(3) 0.1688(3) 0.0413(8) Uani 1 1 d . . . . .
H3A H 0.534529 0.474459 0.189051 0.050 Uiso 1 1 calc R . . . .
H3B H 0.551519 0.396102 0.091968 0.050 Uiso 1 1 calc R . . . .
C4 C 0.6756(4) 0.3477(3) 0.2414(3) 0.0382(8) Uani 1 1 d . . . . .
H4A H 0.687681 0.275103 0.216097 0.046 Uiso 1 1 calc R . . . .
H4B H 0.770051 0.387125 0.237463 0.046 Uiso 1 1 calc R . . . .
C5 C 0.7727(4) 0.3573(2) 0.4376(3) 0.0320(7) Uani 1 1 d . . . . .
C6 C 0.9256(4) 0.3535(3) 0.4257(3) 0.0362(7) Uani 1 1 d . . . . .
H6 H 0.949860 0.340894 0.356184 0.043 Uiso 1 1 calc R . . . .
C7 C 1.0403(4) 0.3681(3) 0.5148(3) 0.0411(8) Uani 1 1 d . . . . .
H7 H 1.143847 0.364809 0.506492 0.049 Uiso 1 1 calc R . . . .
C8 C 1.0066(4) 0.3879(3) 0.6183(3) 0.0423(8) Uani 1 1 d . . . . .
H8 H 1.085845 0.398709 0.679864 0.051 Uiso 1 1 calc R . . . .
C9 C 0.8592(4) 0.3911(3) 0.6271(3) 0.0393(8) Uani 1 1 d . . . . .
H9 H 0.833652 0.404016 0.696179 0.047 Uiso 1 1 calc R . . . .


_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
Sb1 Cl4 2.4559(8) . ?
Sb1 Cl4 2.4559(8) 3_565 ?
Sb1 Cl5 2.4056(8) . ?
Sb1 Cl5 2.4056(8) 3_565 ?
Sb1 Cl6 2.4430(8) . ?
Sb1 Cl6 2.4430(8) 3_565 ?
Sn1 Cl4 2.4559(8) . ?
Sn1 Cl4 2.4559(8) 3_565 ?
Sn1 Cl5 2.4056(8) . ?
Sn1 Cl5 2.4056(8) 3_565 ?
Sn1 Cl6 2.4430(8) . ?
Sn1 Cl6 2.4430(8) 3_565 ?
N1 C1 1.497(4) . ?
N1 C3 1.486(5) . ?
N2 C2 1.472(4) . ?
N2 C4 1.467(4) . ?
N2 C5 1.358(4) . ?
N3 C5 1.354(4) . ?
N3 C9 1.364(4) . ?
C1 C2 1.503(5) . ?
C3 C4 1.523(5) . ?
C5 C6 1.401(5) . ?
C6 C7 1.373(5) . ?
C7 C8 1.408(5) . ?
C8 C9 1.341(5) . ?

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
Cl4 Sb1 Cl4 180.0 3_565 . ?
Cl5 Sb1 Cl4 89.32(3) . . ?
Cl5 Sb1 Cl4 89.32(3) 3_565 3_565 ?
Cl5 Sb1 Cl4 90.68(3) 3_565 . ?
Cl5 Sb1 Cl4 90.68(3) . 3_565 ?
Cl5 Sb1 Cl5 180.0 3_565 . ?
Cl5 Sb1 Cl6 88.77(3) . . ?
Cl5 Sb1 Cl6 91.23(3) 3_565 . ?
Cl5 Sb1 Cl6 88.77(3) 3_565 3_565 ?
Cl5 Sb1 Cl6 91.23(3) . 3_565 ?
Cl6 Sb1 Cl4 92.53(3) 3_565 . ?
Cl6 Sb1 Cl4 87.47(3) 3_565 3_565 ?
Cl6 Sb1 Cl4 87.47(3) . . ?
Cl6 Sb1 Cl4 92.53(3) . 3_565 ?
Cl6 Sb1 Cl6 180.0 3_565 . ?
Cl4 Sn1 Cl4 180.0 3_565 . ?
Cl5 Sn1 Cl4 89.32(3) . . ?
Cl5 Sn1 Cl4 89.32(3) 3_565 3_565 ?
Cl5 Sn1 Cl4 90.68(3) 3_565 . ?
Cl5 Sn1 Cl4 90.68(3) . 3_565 ?
Cl5 Sn1 Cl5 180.0 3_565 . ?
Cl5 Sn1 Cl6 91.23(3) 3_565 . ?
Cl5 Sn1 Cl6 88.77(3) . . ?
Cl5 Sn1 Cl6 88.77(3) 3_565 3_565 ?
Cl5 Sn1 Cl6 91.23(3) . 3_565 ?
Cl6 Sn1 Cl4 92.53(3) 3_565 . ?
Cl6 Sn1 Cl4 92.53(3) . 3_565 ?
Cl6 Sn1 Cl4 87.47(3) . . ?
Cl6 Sn1 Cl4 87.47(3) 3_565 3_565 ?
Cl6 Sn1 Cl6 180.0 3_565 . ?
C3 N1 C1 110.9(3) . . ?
C4 N2 C2 113.6(3) . . ?
C5 N2 C2 123.0(3) . . ?
C5 N2 C4 119.8(3) . . ?
C5 N3 C9 123.0(3) . . ?
N1 C1 C2 109.3(3) . . ?
N2 C2 C1 110.4(3) . . ?
N1 C3 C4 110.7(3) . . ?
N2 C4 C3 109.4(3) . . ?
N2 C5 C6 124.0(3) . . ?
N3 C5 N2 118.6(3) . . ?
N3 C5 C6 117.3(3) . . ?
C7 C6 C5 119.8(3) . . ?
C6 C7 C8 121.0(3) . . ?
C9 C8 C7 117.9(3) . . ?
C8 C9 N3 121.1(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
