# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_EDBESnI4
_database_code_depnum_ccdc_archive 'CCDC 2204974'
loop_
_audit_author_name
_audit_author_address
'Eelco Tekelenburg'
;University of Groningen
Netherlands
;
_audit_update_record             
;
2022-10-31 deposited with the CCDC.	2023-01-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C6 H18 I4 N2 O2 Sn'
_chemical_formula_weight         776.51

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'
I I -0.4742 1.8119 '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'
O O 0.0106 0.0060 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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                   6.5320(4)
_cell_length_b                   29.3042(18)
_cell_length_c                   9.2159(6)
_cell_angle_alpha                90
_cell_angle_beta                 92.267(2)
_cell_angle_gamma                90
_cell_volume                     1762.68(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    80995
_cell_measurement_theta_min      5.225
_cell_measurement_theta_max      60.41

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.926
_exptl_crystal_F_000             1384
_exptl_transmission_factor_min   0.3101
_exptl_transmission_factor_max   0.4330
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    8.445
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   
'SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction '
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture; Photon100 area detector'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            79904
_diffrn_reflns_av_unetI/netI     0.0273
_diffrn_reflns_av_R_equivalents  0.0602
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.780
_diffrn_reflns_theta_max         30.504
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5381
_reflns_number_gt                4553
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0351P)²+3.7526P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5381
_refine_ls_number_parameters     138
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0317
_refine_ls_wR_factor_ref         0.0730
_refine_ls_wR_factor_gt          0.0704
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_restrained_S_all      1.146
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Sn Sn 0.36206(4) 0.33052(2) 0.26465(3) 0.01310(7) Uani 1 1 d . . . . .
I1 I 0.37418(4) 0.39011(2) -0.01729(3) 0.01724(7) Uani 1 1 d . . . . .
I2 I 0.37108(5) 0.26986(2) 0.55849(3) 0.01680(7) Uani 1 1 d . . . . .
I3 I 0.82020(4) 0.32558(2) 0.26993(3) 0.01606(7) Uani 1 1 d . . . . .
I4 I 0.33773(5) 0.41669(2) 0.42300(4) 0.02262(8) Uani 1 1 d . . . . .
O1 O 0.8675(5) 0.38363(11) -0.2158(3) 0.0175(7) Uani 1 1 d . . . . .
O2 O 0.0623(5) 0.51792(12) 0.1738(4) 0.0196(7) Uani 1 1 d . . . . .
N1 N 0.7106(6) 0.20095(14) 0.3634(4) 0.0181(8) Uani 1 1 d . . . . .
HAN1 H 0.648965 0.211418 0.279632 0.027 Uiso 1 1 calc R U . . .
HBN1 H 0.695767 0.221893 0.435191 0.027 Uiso 1 1 calc R U . . .
HCN1 H 0.651401 0.174190 0.389172 0.027 Uiso 1 1 calc R U . . .
N2 N 0.1187(7) 0.56526(14) -0.0904(5) 0.0236(9) Uani 1 1 d . . . . .
HAN2 H 0.045461 0.555075 -0.014901 0.035 Uiso 1 1 calc R U . . .
HBN2 H 0.031609 0.576452 -0.161178 0.035 Uiso 1 1 calc R U . . .
HCN2 H 0.205661 0.587744 -0.058746 0.035 Uiso 1 1 calc R U . . .
C1 C 0.9337(7) 0.19333(16) 0.3410(5) 0.0190(9) Uani 1 1 d . . . . .
HAC1 H 0.997226 0.221990 0.307988 0.029 Uiso 1 1 calc R U . . .
HBC1 H 1.003360 0.184120 0.433763 0.029 Uiso 1 1 calc R U . . .
C2 C 0.9587(8) 0.34305(17) -0.2698(5) 0.0211(10) Uani 1 1 d . . . . .
HAC2 H 1.105838 0.348216 -0.285995 0.032 Uiso 1 1 calc R U . . .
HBC2 H 0.890299 0.333993 -0.363187 0.032 Uiso 1 1 calc R U . . .
C3 C 0.8416(8) 0.41649(17) -0.3293(5) 0.0233(10) Uani 1 1 d . . . . .
HAC3 H 0.734895 0.405965 -0.400925 0.035 Uiso 1 1 calc R U . . .
HBC3 H 0.971504 0.420087 -0.379941 0.035 Uiso 1 1 calc R U . . .
C4 C 0.2198(8) 0.53897(17) 0.2666(6) 0.0264(11) Uani 1 1 d . . . . .
HAC4 H 0.343441 0.543666 0.209713 0.040 Uiso 1 1 calc R U . . .
Q9 H 0.256868 0.517760 0.347046 0.040 Uiso 1 1 calc R U . . .
C5 C -0.1084(8) 0.50125(18) 0.2526(6) 0.0227(10) Uani 1 1 d . . . . .
HAC5 H -0.187703 0.527120 0.290585 0.034 Uiso 1 1 calc R U . . .
Q17 H -0.058826 0.482265 0.335675 0.034 Uiso 1 1 calc R U . . .
C6 C -0.2399(8) 0.47345(17) 0.1501(6) 0.0236(10) Uani 1 1 d . . . . .
HAC6 H -0.292972 0.492981 0.069400 0.035 Uiso 1 1 calc R U . . .
Q10 H -0.358378 0.461236 0.201460 0.035 Uiso 1 1 calc R U . . .


_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
Sn I4 2.9238(5) . ?
Sn I3 2.9946(4) . ?
Sn I1 3.1341(4) . ?
Sn I2 3.2379(4) . ?
O1 C3 1.427(6) . ?
O1 C2 1.428(6) . ?
O2 C5 1.440(6) . ?
O2 C4 1.450(6) . ?
N1 C1 1.497(6) . ?
N2 C6 1.500(6) 3_565 ?
C1 C2 1.490(7) 4_566 ?
C3 C4 1.489(7) 3_665 ?
C5 C6 1.494(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
I4 Sn I3 96.180(12) . . ?
I4 Sn I1 86.348(12) . . ?
I3 Sn I1 88.992(11) . . ?
I4 Sn I2 93.223(12) . . ?
I3 Sn I2 88.554(11) . . ?
I1 Sn I2 177.448(13) . . ?
C3 O1 C2 110.2(4) . . ?
C5 O2 C4 113.1(4) . . ?
C2 C1 N1 109.6(4) 4_566 . ?
O1 C2 C1 107.4(4) . 4_565 ?
O1 C3 C4 109.5(4) . 3_665 ?
O2 C4 C3 114.0(4) . 3_665 ?
O2 C5 C6 107.7(4) . . ?
C5 C6 N2 110.2(4) . 3_565 ?

_refine_diff_density_max         1.432
_refine_diff_density_min         -1.608
_refine_diff_density_rms         0.201



####################################################################### 
# 
# 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_ODEASnI4_P21c_100K
_database_code_depnum_ccdc_archive 'CCDC 2204975'
loop_
_audit_author_name
_audit_author_address
'Eelco Tekelenburg'
;University of Groningen
Netherlands
;
_audit_update_record             
;
2022-10-31 deposited with the CCDC.	2023-01-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C4 H14 I4 N2 O Sn'
_chemical_formula_weight         732.46

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'
I I -0.4742 1.8119 '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'
O O 0.0106 0.0060 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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                   8.6827(7)
_cell_length_b                   9.0135(9)
_cell_length_c                   19.7936(18)
_cell_angle_alpha                90
_cell_angle_beta                 98.697(3)
_cell_angle_gamma                90
_cell_volume                     1531.3(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    97343
_cell_measurement_theta_min      6.555
_cell_measurement_theta_max      64.959

_exptl_crystal_description       parallelepided
_exptl_crystal_colour            black-brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.177
_exptl_crystal_F_000             1288
_exptl_transmission_factor_min   0.1269
_exptl_transmission_factor_max   0.1953
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    9.706
_shelx_estimated_absorpt_T_min   0.195
_shelx_estimated_absorpt_T_max   0.306
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   
'SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction '
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture; Photon100 area detector'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            94239
_diffrn_reflns_av_unetI/netI     0.0230
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.911
_diffrn_reflns_theta_max         33.206
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5860
_reflns_number_gt                5014
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0163P)²+5.3148P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5860
_refine_ls_number_parameters     111
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0263
_refine_ls_wR_factor_ref         0.0537
_refine_ls_wR_factor_gt          0.0517
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_restrained_S_all      1.171
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.25242(2) 0.66557(2) 0.24221(2) 0.01097(5) Uani 1 1 d . . . . .
I2 I 0.18934(3) 0.87717(3) 0.57772(2) 0.01878(5) Uani 1 1 d . . . . .
I3 I -0.03564(2) 0.86548(2) 0.23573(2) 0.01491(5) Uani 1 1 d . . . . .
I4 I 0.32195(3) 0.70679(3) 0.39622(2) 0.01648(5) Uani 1 1 d . . . . .
I5 I 0.45807(3) 0.92974(3) 0.22928(2) 0.01853(5) Uani 1 1 d . . . . .
O6 O 0.7396(3) 0.7288(3) 0.50424(13) 0.0183(5) Uani 1 1 d . . . . .
N7 N 0.7415(4) 0.7418(4) 0.36785(16) 0.0223(6) Uani 1 1 d . . . . .
H7A H 0.745609 0.831793 0.388873 0.033 Uiso 1 1 calc R U . . .
H7B H 0.641760 0.707456 0.361914 0.033 Uiso 1 1 calc R U . . .
H7C H 0.773946 0.751083 0.326451 0.033 Uiso 1 1 calc R U . . .
N8 N 0.7982(4) 0.9258(4) 0.60974(19) 0.0249(7) Uani 1 1 d . . . . .
H8A H 0.855786 0.913379 0.575359 0.037 Uiso 1 1 calc R U . . .
H8B H 0.844298 0.876549 0.647606 0.037 Uiso 1 1 calc R U . . .
H8C H 0.792223 1.024127 0.619449 0.037 Uiso 1 1 calc R U . . .
C9 C 0.6506(4) 0.7127(4) 0.55916(18) 0.0177(6) Uani 1 1 d . . . . .
H9A H 0.703554 0.644425 0.594428 0.026 Uiso 1 1 calc R U . . .
H9B H 0.545655 0.672871 0.542071 0.026 Uiso 1 1 calc R U . . .
C10 C 0.7686(4) 0.5940(4) 0.47258(19) 0.0200(7) Uani 1 1 d . . . . .
H10A H 0.670009 0.539930 0.457942 0.030 Uiso 1 1 calc R U . . .
H10B H 0.838459 0.530333 0.504484 0.030 Uiso 1 1 calc R U . . .
C11 C 0.6390(4) 0.8660(4) 0.5882(2) 0.0190(7) Uani 1 1 d . . . . .
H11A H 0.580618 0.931732 0.553276 0.029 Uiso 1 1 calc R U . . .
H11B H 0.582229 0.861903 0.627947 0.029 Uiso 1 1 calc R U . . .
C12 C 0.8454(5) 0.6347(5) 0.4112(2) 0.0234(8) Uani 1 1 d . . . . .
H12A H 0.948298 0.680668 0.426512 0.035 Uiso 1 1 calc R U . . .
H12B H 0.861158 0.544535 0.384534 0.035 Uiso 1 1 calc R U . . .


_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 I5 3.0103(4) . ?
Sn1 I4 3.0395(4) . ?
Sn1 I3 3.0695(4) . ?
Sn1 I2 7.0100(7) . ?
O6 C10 1.407(4) . ?
O6 C9 1.433(4) . ?
N7 C12 1.500(5) . ?
N8 C11 1.485(5) . ?
C9 C11 1.506(5) . ?
C10 C12 1.516(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
I5 Sn1 I4 87.603(9) . . ?
I5 Sn1 I3 91.270(11) . . ?
I4 Sn1 I3 90.411(9) . . ?
I5 Sn1 I2 89.866(8) . . ?
I4 Sn1 I2 17.963(6) . . ?
I3 Sn1 I2 72.541(7) . . ?
C10 O6 C9 113.8(3) . . ?
O6 C9 C11 105.7(3) . . ?
O6 C10 C12 106.2(3) . . ?
N8 C11 C9 109.2(3) . . ?
N7 C12 C10 108.4(3) . . ?

_refine_diff_density_max         0.769
_refine_diff_density_min         -1.890
_refine_diff_density_rms         0.211



