# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_12
_database_code_depnum_ccdc_archive 'CCDC 2182031'
loop_
_audit_author_name
_audit_author_address
'Ales Ruzicka'
;University of Pardubice
Czech Republic
;
_audit_update_record             
;
2022-06-27 deposited with the CCDC.	2023-02-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H28 Cl3 N2 O3 P Sn2, C H2 Cl2'
_chemical_formula_sum            'C22 H30 Cl5 N2 O3 P Sn2'
_chemical_formula_weight         816.08

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   8.9021(5)
_cell_length_b                   12.8588(5)
_cell_length_c                   13.7649(5)
_cell_angle_alpha                91.567(2)
_cell_angle_beta                 97.8030(10)
_cell_angle_gamma                108.514(2)
_cell_volume                     1476.12(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    47715
_cell_measurement_theta_min      1
_cell_measurement_theta_max      27.5

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.836
_exptl_crystal_F_000             800
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.412
_exptl_crystal_size_mid          0.154
_exptl_crystal_size_min          0.046
_exptl_absorpt_coefficient_mu    2.226
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5408
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_absorpt_special_details   
;
The ratio of minimum to maximum
apparent transmission was 0.725
;
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            47685
_diffrn_reflns_av_unetI/netI     0.0443
_diffrn_reflns_av_R_equivalents  0.0798
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.329
_diffrn_reflns_theta_max         27.589
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6807
_reflns_number_gt                5192
_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       'Bruker Instrument Service vV6.2.3'
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'
_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)+(0.0748P)²+7.7830P] 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         6807
_refine_ls_number_parameters     342
_refine_ls_number_restraints     322
_refine_ls_R_factor_all          0.0751
_refine_ls_R_factor_gt           0.0503
_refine_ls_wR_factor_ref         0.1441
_refine_ls_wR_factor_gt          0.1270
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.011
_refine_ls_shift/su_max          0.000
_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 0.39159(4) 0.49082(3) 0.84307(3) 0.02220(12) Uani 1 1 d . U . . .
Cl1 Cl 0.66711(16) 0.56969(11) 0.93521(9) 0.0246(3) Uani 1 1 d . U . . .
P1 P 0.4827(2) 0.27835(12) 0.75692(11) 0.0320(4) Uani 1 1 d . U . . .
O1 O 0.4163(6) 0.3241(3) 0.8360(3) 0.0316(9) Uani 1 1 d . U . . .
N1 N 0.5359(6) 0.4857(4) 0.7081(3) 0.0245(10) Uani 1 1 d . U . . .
C1 C 0.5638(8) 0.3923(5) 0.6836(4) 0.0315(13) Uani 1 1 d . U . . .
Cl2 Cl 0.1391(2) 0.34431(14) 0.63505(12) 0.0410(4) Uani 1 1 d . U . . .
O2 O 0.3671(6) 0.1845(3) 0.6886(3) 0.0435(11) Uani 1 1 d . U . . .
N2 N 0.4782(5) 0.6727(4) 0.7571(3) 0.0219(9) Uani 1 1 d . U . . .
C2 C 0.5906(6) 0.5746(4) 0.6567(4) 0.0222(10) Uani 1 1 d . U . . .
O3 O 0.6245(6) 0.2380(3) 0.7986(3) 0.0375(10) Uani 1 1 d . U . . .
Cl3 Cl 0.1638(2) 0.13454(13) 0.46737(11) 0.0402(4) Uani 1 1 d . U . . .
C3 C 0.6728(8) 0.5712(5) 0.5792(4) 0.0308(13) Uani 1 1 d . U . . .
H3 H 0.7104 0.6347 0.5441 0.037 Uiso 1 1 calc R U . . .
C4 C 0.7001(10) 0.4753(5) 0.5528(5) 0.0445(18) Uani 1 1 d . U . . .
H4 H 0.7548 0.4714 0.4988 0.053 Uiso 1 1 calc R U . . .
Sn2 Sn 0.1245(8) 0.1411(5) 0.6403(3) 0.0310(7) Uani 0.67(4) 1 d . U P A 1
Cl4 Cl 0.4928(12) 0.9693(8) 0.6052(6) 0.1174(13) Uani 0.547(6) 1 d . U P B 1
Cl5 Cl 0.6978(11) 1.1077(7) 0.5736(6) 0.1174(13) Uani 0.547(6) 1 d D U P B 1
C17 C 0.0067(18) 0.6012(16) 0.7572(12) 0.041(4) Uani 0.49(3) 1 d . U P C 1
H17A H 0.0340 0.5925 0.8273 0.061 Uiso 0.49(3) 1 calc R U P C 1
H17B H -0.0700 0.6419 0.7490 0.061 Uiso 0.49(3) 1 calc R U P C 1
H17C H -0.0413 0.5286 0.7216 0.061 Uiso 0.49(3) 1 calc R U P C 1
Sn2A Sn 0.090(2) 0.1521(7) 0.6302(10) 0.0328(16) Uani 0.33(4) 1 d . U P A 2
Cl4A Cl 0.3928(14) 0.9115(9) 0.5611(8) 0.1174(13) Uani 0.453(6) 1 d . U P B 2
Cl5A Cl 0.6597(13) 1.0819(9) 0.6092(7) 0.1174(13) Uani 0.453(6) 1 d D U P B 2
C17A C 0.0038(15) 0.672(2) 0.7739(12) 0.053(6) Uani 0.51(3) 1 d . U P C 2
H17D H 0.0278 0.6634 0.8442 0.079 Uiso 0.51(3) 1 calc R U P C 2
H17E H -0.0095 0.7445 0.7653 0.079 Uiso 0.51(3) 1 calc R U P C 2
H17F H -0.0954 0.6145 0.7453 0.079 Uiso 0.51(3) 1 calc R U P C 2
C5 C 0.6459(10) 0.3838(6) 0.6069(5) 0.0470(19) Uani 1 1 d . U . . .
H5 H 0.6651 0.3171 0.5914 0.056 Uiso 1 1 calc R U . . .
C6 C 0.5565(6) 0.6734(4) 0.6863(4) 0.0224(10) Uani 1 1 d . U . . .
H6 H 0.5928 0.7382 0.6529 0.027 Uiso 1 1 calc R U . . .
C7 C 0.4446(7) 0.7693(5) 0.7873(5) 0.0294(12) Uani 1 1 d . U . . .
C8 C 0.5676(9) 0.8597(5) 0.8366(5) 0.0347(13) Uani 1 1 d . U . . .
C9 C 0.5253(13) 0.9521(7) 0.8622(7) 0.064(2) Uani 1 1 d . U . . .
H9 H 0.6046 1.0157 0.8954 0.077 Uiso 1 1 calc R U . . .
C10 C 0.3671(15) 0.9504(9) 0.8389(8) 0.080(3) Uani 1 1 d . U . . .
H10 H 0.3409 1.0145 0.8539 0.097 Uiso 1 1 calc R U . . .
C11 C 0.2527(14) 0.8614(10) 0.7963(8) 0.080(3) Uani 1 1 d . U . . .
H11 H 0.1456 0.8624 0.7842 0.096 Uiso 1 1 calc R U . . .
C12 C 0.2845(9) 0.7659(7) 0.7686(6) 0.0529(17) Uani 1 1 d . U . . .
C13 C 0.7384(8) 0.8613(5) 0.8642(5) 0.0336(13) Uani 1 1 d . U . . .
H13 H 0.7422 0.7872 0.8430 0.040 Uiso 1 1 calc R U . . .
C14 C 0.7904(11) 0.8787(6) 0.9764(5) 0.055(2) Uani 1 1 d . U . . .
H14A H 0.8993 0.8754 0.9926 0.082 Uiso 1 1 calc R U . . .
H14B H 0.7167 0.8210 1.0083 0.082 Uiso 1 1 calc R U . . .
H14C H 0.7882 0.9508 0.9998 0.082 Uiso 1 1 calc R U . . .
C22 C 0.476(2) 1.0393(13) 0.5186(12) 0.126(4) Uani 1 1 d . U . . .
H22A H 0.3652 1.0366 0.4927 0.151 Uiso 1 1 calc R U . B 1
H22B H 0.5536 1.1147 0.5245 0.151 Uiso 1 1 calc R U . B 1
C15 C 0.8535(10) 0.9457(6) 0.8106(6) 0.0471(18) Uani 1 1 d . U . . .
H15A H 0.8217 0.9288 0.7394 0.071 Uiso 1 1 calc R U . . .
H15B H 0.9625 0.9433 0.8295 0.071 Uiso 1 1 calc R U . . .
H15C H 0.8506 1.0193 0.8283 0.071 Uiso 1 1 calc R U . . .
C16 C 0.1550(9) 0.6632(9) 0.7175(7) 0.066(2) Uani 1 1 d . U . . .
H16 H 0.2134 0.6085 0.7165 0.080 Uiso 1 1 calc R U . C 1
C18 C 0.1144(12) 0.6774(9) 0.6089(7) 0.071(3) Uani 1 1 d . U . . .
H18A H 0.2135 0.7039 0.5802 0.106 Uiso 1 1 calc R U . . .
H18B H 0.0567 0.7308 0.6012 0.106 Uiso 1 1 calc R U . . .
H18C H 0.0469 0.6065 0.5751 0.106 Uiso 1 1 calc R U . . .
C19 C 0.7554(9) 0.3090(5) 0.8739(5) 0.0375(14) Uani 1 1 d . U . . .
H19 H 0.7598 0.3871 0.8677 0.045 Uiso 1 1 calc R U . . .
C20 C 0.9075(12) 0.2979(8) 0.8513(8) 0.065(2) Uani 1 1 d . U . . .
H20A H 0.9183 0.3141 0.7829 0.098 Uiso 1 1 calc R U . . .
H20B H 0.9075 0.2226 0.8606 0.098 Uiso 1 1 calc R U . . .
H20C H 0.9976 0.3496 0.8953 0.098 Uiso 1 1 calc R U . . .
C21 C 0.7177(12) 0.2782(9) 0.9710(6) 0.071(3) Uani 1 1 d . U . . .
H21A H 0.6092 0.2787 0.9762 0.107 Uiso 1 1 calc R U . . .
H21B H 0.7948 0.3308 1.0214 0.107 Uiso 1 1 calc R U . . .
H21C H 0.7237 0.2043 0.9808 0.107 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 O1 2.224(4) . ?
Sn1 N1 2.409(5) . ?
Sn1 Cl1 2.4815(14) . ?
Sn1 N2 2.592(4) . ?
P1 O1 1.497(4) . ?
P1 O2 1.512(5) . ?
P1 O3 1.558(5) . ?
P1 C1 1.815(6) . ?
N1 C1 1.345(8) . ?
N1 C2 1.352(7) . ?
C1 C5 1.383(9) . ?
Cl2 Sn2A 2.367(11) . ?
Cl2 Sn2 2.578(8) . ?
O2 Sn2 2.059(9) . ?
O2 Sn2A 2.38(2) . ?
N2 C6 1.270(7) . ?
N2 C7 1.431(7) . ?
C2 C3 1.381(8) . ?
C2 C6 1.457(8) . ?
O3 C19 1.486(8) . ?
Cl3 Sn2A 2.443(9) . ?
Cl3 Sn2 2.456(5) . ?
C3 C4 1.380(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.399(10) . ?
C4 H4 0.9500 . ?
Cl4 C22 1.533(18) . ?
Cl4 C22 1.769(18) 2_676 ?
Cl5 C22 1.92(2) . ?
Cl5 C22 2.25(2) 2_676 ?
C17 C16 1.493(16) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
Cl4A C22 1.698(19) 2_676 ?
Cl4A C22 1.729(19) . ?
Cl4A Cl5A 2.336(12) 2_676 ?
Cl5A C22 1.84(2) . ?
Cl5A C22 2.25(2) 2_676 ?
Cl5A Cl4A 2.336(12) 2_676 ?
C17A C16 1.676(18) . ?
C17A H17D 0.9800 . ?
C17A H17E 0.9800 . ?
C17A H17F 0.9800 . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.399(10) . ?
C7 C12 1.400(9) . ?
C8 C9 1.404(9) . ?
C8 C13 1.511(10) . ?
C9 C10 1.394(15) . ?
C9 H9 0.9500 . ?
C10 C11 1.323(17) . ?
C10 H10 0.9500 . ?
C11 C12 1.399(13) . ?
C11 H11 0.9500 . ?
C12 C16 1.526(14) . ?
C13 C15 1.521(9) . ?
C13 C14 1.540(10) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C22 C22 1.33(3) 2_676 ?
C22 Cl4A 1.698(19) 2_676 ?
C22 Cl5 2.25(2) 2_676 ?
C22 Cl5A 2.25(2) 2_676 ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C18 1.519(12) . ?
C16 H16 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C21 1.457(11) . ?
C19 C20 1.478(11) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?

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
O1 Sn1 N1 74.32(15) . . ?
O1 Sn1 Cl1 90.92(13) . . ?
N1 Sn1 Cl1 82.14(12) . . ?
O1 Sn1 N2 139.49(15) . . ?
N1 Sn1 N2 65.23(15) . . ?
Cl1 Sn1 N2 81.91(10) . . ?
O1 P1 O2 117.1(3) . . ?
O1 P1 O3 112.5(3) . . ?
O2 P1 O3 106.1(3) . . ?
O1 P1 C1 105.8(3) . . ?
O2 P1 C1 108.1(3) . . ?
O3 P1 C1 106.8(3) . . ?
P1 O1 Sn1 125.2(2) . . ?
C1 N1 C2 119.1(5) . . ?
C1 N1 Sn1 119.2(4) . . ?
C2 N1 Sn1 121.7(4) . . ?
N1 C1 C5 122.2(6) . . ?
N1 C1 P1 115.0(4) . . ?
C5 C1 P1 122.8(5) . . ?
P1 O2 Sn2 132.5(4) . . ?
P1 O2 Sn2A 128.6(4) . . ?
C6 N2 C7 120.5(5) . . ?
C6 N2 Sn1 116.5(4) . . ?
C7 N2 Sn1 123.0(3) . . ?
N1 C2 C3 121.6(5) . . ?
N1 C2 C6 116.7(5) . . ?
C3 C2 C6 121.7(5) . . ?
C19 O3 P1 119.8(4) . . ?
C4 C3 C2 119.7(6) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 118.8(6) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
O2 Sn2 Cl3 91.9(3) . . ?
O2 Sn2 Cl2 91.7(2) . . ?
Cl3 Sn2 Cl2 90.7(2) . . ?
C22 Cl4 C22 46.9(9) . 2_676 ?
C22 Cl5 C22 36.2(8) . 2_676 ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Cl2 Sn2A O2 89.6(5) . . ?
Cl2 Sn2A Cl3 96.2(4) . . ?
O2 Sn2A Cl3 84.9(5) . . ?
C22 Cl4A C22 45.8(9) 2_676 . ?
C22 Cl4A Cl5A 51.3(7) 2_676 2_676 ?
C22 Cl4A Cl5A 65.2(7) . 2_676 ?
C22 Cl5A C22 36.3(8) . 2_676 ?
C22 Cl5A Cl4A 46.1(6) . 2_676 ?
C22 Cl5A Cl4A 44.2(6) 2_676 2_676 ?
C16 C17A H17D 109.5 . . ?
C16 C17A H17E 109.5 . . ?
H17D C17A H17E 109.5 . . ?
C16 C17A H17F 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
C1 C5 C4 118.6(6) . . ?
C1 C5 H5 120.7 . . ?
C4 C5 H5 120.7 . . ?
N2 C6 C2 119.9(5) . . ?
N2 C6 H6 120.1 . . ?
C2 C6 H6 120.1 . . ?
C8 C7 C12 123.0(6) . . ?
C8 C7 N2 120.2(5) . . ?
C12 C7 N2 116.8(7) . . ?
C7 C8 C9 116.7(7) . . ?
C7 C8 C13 123.6(5) . . ?
C9 C8 C13 119.7(7) . . ?
C10 C9 C8 120.1(10) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C11 C10 C9 121.4(8) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C10 C11 C12 122.1(9) . . ?
C10 C11 H11 118.9 . . ?
C12 C11 H11 118.9 . . ?
C11 C12 C7 116.6(9) . . ?
C11 C12 C16 123.0(8) . . ?
C7 C12 C16 120.4(7) . . ?
C8 C13 C15 111.9(6) . . ?
C8 C13 C14 111.1(6) . . ?
C15 C13 C14 111.7(6) . . ?
C8 C13 H13 107.3 . . ?
C15 C13 H13 107.3 . . ?
C14 C13 H13 107.3 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C22 C22 Cl4 75.9(14) 2_676 . ?
C22 C22 Cl4A 68.3(14) 2_676 2_676 ?
C22 C22 Cl4A 65.9(14) 2_676 . ?
Cl4A C22 Cl4A 134.2(9) 2_676 . ?
C22 C22 Cl5A 88.9(17) 2_676 . ?
Cl4A C22 Cl5A 82.6(9) 2_676 . ?
Cl4A C22 Cl5A 96.4(9) . . ?
C22 C22 Cl5 85.2(16) 2_676 . ?
Cl4 C22 Cl5 78.5(9) . . ?
C22 C22 Cl5 58.6(14) 2_676 2_676 ?
Cl4 C22 Cl5 91.5(9) . 2_676 ?
Cl5 C22 Cl5 143.8(8) . 2_676 ?
C22 C22 Cl5A 54.8(14) 2_676 2_676 ?
Cl4A C22 Cl5A 83.5(8) 2_676 2_676 ?
Cl4A C22 Cl5A 70.5(7) . 2_676 ?
Cl5A C22 Cl5A 143.7(8) . 2_676 ?
C22 C22 H22A 115.9 2_676 . ?
Cl4 C22 H22A 115.9 . . ?
Cl5 C22 H22A 156.2 . . ?
Cl5 C22 H22A 58.3 2_676 . ?
C22 C22 H22B 115.9 2_676 . ?
Cl4 C22 H22B 115.9 . . ?
Cl5 C22 H22B 44.2 . . ?
Cl5 C22 H22B 150.7 2_676 . ?
H22A C22 H22B 112.9 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C18 110.1(9) . . ?
C17 C16 C12 125.0(11) . . ?
C18 C16 C12 110.8(7) . . ?
C18 C16 C17A 108.3(7) . . ?
C12 C16 C17A 97.9(10) . . ?
C17 C16 H16 102.6 . . ?
C18 C16 H16 102.6 . . ?
C12 C16 H16 102.6 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C21 C19 C20 115.2(8) . . ?
C21 C19 O3 108.6(6) . . ?
C20 C19 O3 107.4(6) . . ?
C21 C19 H19 108.5 . . ?
C20 C19 H19 108.5 . . ?
O3 C19 H19 108.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?

_refine_diff_density_max         1.257
_refine_diff_density_min         -2.195
_refine_diff_density_rms         0.176



####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2182032'
loop_
_audit_author_name
_audit_author_address
'Ales Ruzicka'
;University of Pardubice
Czech Republic
;
_audit_update_record             
;
2022-06-27 deposited with the CCDC.	2023-02-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H31 Cl N2 O2 P Sn, Cl3 Sn'
_chemical_formula_sum            'C26 H31 Cl4 N2 O2 P Sn2'
_chemical_formula_weight         813.68

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   8.8688(11)
_cell_length_b                   12.8162(16)
_cell_length_c                   15.329(2)
_cell_angle_alpha                76.435(6)
_cell_angle_beta                 85.256(6)
_cell_angle_gamma                73.499(6)
_cell_volume                     1623.8(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    30049
_cell_measurement_theta_min      1
_cell_measurement_theta_max      26

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_F_000             800
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.592
_exptl_crystal_size_mid          0.229
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    1.942
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5539
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_absorpt_special_details   
;
The ratio of minimum to maximum
apparent transmission was 0.743
;
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            27085
_diffrn_reflns_av_unetI/netI     0.0553
_diffrn_reflns_av_R_equivalents  0.0681
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.395
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.981
_reflns_number_total             6239
_reflns_number_gt                4883
_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       'Bruker Instrument Service vV6.2.3'
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'
_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)+30.0796P] 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     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0051(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         6239
_refine_ls_number_parameters     342
_refine_ls_number_restraints     312
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.0673
_refine_ls_wR_factor_ref         0.1585
_refine_ls_wR_factor_gt          0.1499
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_restrained_S_all      1.128
_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
Sn1 Sn 0.42812(7) 0.54248(5) 0.85956(4) 0.0244(2) Uani 1 1 d . U . . .
Cl1 Cl 0.6815(3) 0.4469(2) 0.93676(14) 0.0291(5) Uani 1 1 d . U . . .
P1 P 0.5695(3) 0.7657(2) 0.79224(18) 0.0291(5) Uani 1 1 d . U . . .
O1 O 0.4706(8) 0.7093(6) 0.8604(5) 0.0354(15) Uani 1 1 d . U . . .
N1 N 0.6003(8) 0.5796(6) 0.7343(5) 0.0206(14) Uani 1 1 d . U . . .
C1 C 0.6488(10) 0.5077(7) 0.6809(6) 0.0222(16) Uani 1 1 d . U . . .
Sn2 Sn 0.19636(8) 0.83633(6) 0.54424(5) 0.0318(2) Uani 1 1 d . U . . .
Cl2 Cl 0.2263(4) 0.6738(2) 0.6768(2) 0.0497(7) Uani 1 1 d . U . . .
O2 O 0.7153(9) 0.7888(6) 0.8271(6) 0.0458(19) Uani 1 1 d . U . . .
N2 N 0.5205(8) 0.3847(6) 0.7766(5) 0.0187(13) Uani 1 1 d . U . . .
C2 C 0.7429(11) 0.5271(7) 0.6053(6) 0.0275(19) Uani 1 1 d . U . . .
H2 H 0.7754 0.4746 0.5682 0.033 Uiso 1 1 calc R U . . .
C3 C 0.7887(12) 0.6263(8) 0.5853(7) 0.034(2) Uani 1 1 d . U . . .
H3 H 0.8527 0.6422 0.5338 0.041 Uiso 1 1 calc R U . . .
Cl3 Cl -0.0681(3) 0.9209(2) 0.60040(19) 0.0397(6) Uani 1 1 d . U . . .
C4 C 0.7405(12) 0.6997(8) 0.6402(7) 0.032(2) Uani 1 1 d . U . . .
H4 H 0.7715 0.7669 0.6282 0.039 Uiso 1 1 calc R U . . .
Cl4 Cl 0.0973(3) 0.7393(2) 0.44774(18) 0.0423(6) Uani 1 1 d . U . . .
C5 C 0.6444(10) 0.6738(7) 0.7145(6) 0.0232(16) Uani 1 1 d . U . . .
C6 C 0.6036(11) 0.4011(7) 0.7072(6) 0.0256(18) Uani 1 1 d . U . . .
H6 H 0.6371 0.3465 0.6719 0.031 Uiso 1 1 calc R U . . .
C7 C 0.4758(11) 0.2828(7) 0.8077(6) 0.0239(17) Uani 1 1 d . U . . .
C8 C 0.5858(11) 0.1855(7) 0.8501(6) 0.0260(17) Uani 1 1 d . U . . .
C9 C 0.5319(13) 0.0924(9) 0.8820(7) 0.036(2) Uani 1 1 d . U . . .
H9 H 0.6040 0.0246 0.9100 0.044 Uiso 1 1 calc R U . . .
C10 C 0.3758(14) 0.0941(9) 0.8746(7) 0.042(2) Uani 1 1 d . U . . .
H10 H 0.3424 0.0285 0.8972 0.050 Uiso 1 1 calc R U . . .
C11 C 0.2710(13) 0.1913(9) 0.8346(7) 0.040(2) Uani 1 1 d . U . . .
H11 H 0.1639 0.1929 0.8311 0.048 Uiso 1 1 calc R U . . .
C12 C 0.3170(11) 0.2873(8) 0.7990(6) 0.0281(18) Uani 1 1 d . U . . .
C13 C 0.7569(12) 0.1772(8) 0.8611(7) 0.034(2) Uani 1 1 d . U . . .
H13 H 0.7707 0.2539 0.8394 0.041 Uiso 1 1 calc R U . . .
C14 C 0.8057(13) 0.1371(10) 0.9595(8) 0.046(3) Uani 1 1 d . U . . .
H14A H 0.8002 0.0600 0.9817 0.069 Uiso 1 1 calc R U . . .
H14B H 0.7345 0.1851 0.9954 0.069 Uiso 1 1 calc R U . . .
H14C H 0.9136 0.1405 0.9645 0.069 Uiso 1 1 calc R U . . .
C15 C 0.8619(13) 0.1038(10) 0.8032(8) 0.047(3) Uani 1 1 d . U . . .
H15A H 0.8294 0.1325 0.7405 0.071 Uiso 1 1 calc R U . . .
H15B H 0.8529 0.0274 0.8236 0.071 Uiso 1 1 calc R U . . .
H15C H 0.9713 0.1040 0.8079 0.071 Uiso 1 1 calc R U . . .
C16 C 0.2029(12) 0.3947(8) 0.7516(7) 0.032(2) Uani 1 1 d . U . . .
H16 H 0.2445 0.4579 0.7566 0.039 Uiso 1 1 calc R U . . .
C17 C 0.1976(14) 0.3968(10) 0.6517(8) 0.046(3) Uani 1 1 d . U . . .
H17A H 0.1300 0.4688 0.6210 0.070 Uiso 1 1 calc R U . . .
H17B H 0.1552 0.3366 0.6444 0.070 Uiso 1 1 calc R U . . .
H17C H 0.3041 0.3864 0.6256 0.070 Uiso 1 1 calc R U . . .
C18 C 0.0376(14) 0.4153(12) 0.7923(9) 0.057(3) Uani 1 1 d . U . . .
H18A H -0.0260 0.4895 0.7631 0.086 Uiso 1 1 calc R U . . .
H18B H 0.0428 0.4110 0.8567 0.086 Uiso 1 1 calc R U . . .
H18C H -0.0103 0.3586 0.7833 0.086 Uiso 1 1 calc R U . . .
C21 C 0.4680(12) 0.8978(8) 0.7303(7) 0.034(2) Uani 1 1 d . U . . .
C22 C 0.3047(12) 0.9242(8) 0.7258(7) 0.036(2) Uani 1 1 d . U . . .
H22 H 0.2495 0.8738 0.7594 0.043 Uiso 1 1 calc R U . . .
C23 C 0.2218(15) 1.0257(9) 0.6712(8) 0.047(3) Uani 1 1 d . U . . .
H23 H 0.1108 1.0441 0.6664 0.057 Uiso 1 1 calc R U . . .
C24 C 0.3051(16) 1.0978(10) 0.6249(9) 0.059(3) Uani 1 1 d . U . . .
H24 H 0.2508 1.1658 0.5868 0.070 Uiso 1 1 calc R U . . .
C25 C 0.4626(17) 1.0735(10) 0.6328(11) 0.068(4) Uani 1 1 d . U . . .
H25 H 0.5171 1.1248 0.6001 0.081 Uiso 1 1 calc R U . . .
C26 C 0.5465(15) 0.9746(9) 0.6880(10) 0.056(3) Uani 1 1 d . U . . .
H26 H 0.6561 0.9605 0.6962 0.068 Uiso 1 1 calc R U . . .
C19 C 0.860(10) 0.706(7) 0.849(5) 0.070(6) Uani 0.29(5) 1 d . U P A 1
H19A H 0.9452 0.7180 0.8054 0.084 Uiso 0.29(5) 1 calc R U P A 1
H19B H 0.8495 0.6294 0.8555 0.084 Uiso 0.29(5) 1 calc R U P A 1
C20 C 0.882(9) 0.734(5) 0.946(5) 0.070(6) Uani 0.29(5) 1 d . U P A 1
H20A H 0.8899 0.8103 0.9363 0.105 Uiso 0.29(5) 1 calc R U P A 1
H20B H 0.9773 0.6816 0.9746 0.105 Uiso 0.29(5) 1 calc R U P A 1
H20C H 0.7904 0.7260 0.9853 0.105 Uiso 0.29(5) 1 calc R U P A 1
C19A C 0.842(4) 0.699(3) 0.877(2) 0.070(6) Uani 0.71(5) 1 d . U P A 2
H19C H 0.7959 0.6536 0.9279 0.084 Uiso 0.71(5) 1 calc R U P A 2
H19D H 0.8984 0.6492 0.8371 0.084 Uiso 0.71(5) 1 calc R U P A 2
C20A C 0.953(4) 0.7421(19) 0.911(2) 0.070(6) Uani 0.71(5) 1 d . U P A 2
H20D H 1.0058 0.7813 0.8609 0.105 Uiso 0.71(5) 1 calc R U P A 2
H20E H 1.0311 0.6804 0.9474 0.105 Uiso 0.71(5) 1 calc R U P A 2
H20F H 0.8969 0.7941 0.9485 0.105 Uiso 0.71(5) 1 calc 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 O1 2.277(7) . ?
Sn1 N1 2.397(7) . ?
Sn1 Cl1 2.479(2) . ?
Sn1 N2 2.544(7) . ?
P1 O1 1.495(7) . ?
P1 O2 1.566(7) . ?
P1 C21 1.760(10) . ?
P1 C5 1.826(9) . ?
N1 C1 1.331(11) . ?
N1 C5 1.334(11) . ?
C1 C2 1.387(12) . ?
C1 C6 1.488(12) . ?
Sn2 Cl3 2.465(3) . ?
Sn2 Cl4 2.491(3) . ?
Sn2 Cl2 2.515(3) . ?
O2 C19 1.42(7) . ?
O2 C19A 1.48(3) . ?
N2 C6 1.255(11) . ?
N2 C7 1.436(11) . ?
C2 C3 1.402(13) . ?
C2 H2 0.9500 . ?
C3 C4 1.364(14) . ?
C3 H3 0.9500 . ?
C4 C5 1.399(13) . ?
C4 H4 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.402(13) . ?
C7 C12 1.409(13) . ?
C8 C9 1.379(13) . ?
C8 C13 1.512(13) . ?
C9 C10 1.392(15) . ?
C9 H9 0.9500 . ?
C10 C11 1.368(16) . ?
C10 H10 0.9500 . ?
C11 C12 1.382(13) . ?
C11 H11 0.9500 . ?
C12 C16 1.519(14) . ?
C13 C15 1.516(15) . ?
C13 C14 1.531(14) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C18 1.521(15) . ?
C16 C17 1.530(14) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C21 C26 1.375(15) . ?
C21 C22 1.395(14) . ?
C22 C23 1.407(15) . ?
C22 H22 0.9500 . ?
C23 C24 1.377(17) . ?
C23 H23 0.9500 . ?
C24 C25 1.351(19) . ?
C24 H24 0.9500 . ?
C25 C26 1.393(17) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C19 C20 1.65(11) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C19A C20A 1.44(4) . ?
C19A H19C 0.9900 . ?
C19A H19D 0.9900 . ?
C20A H20D 0.9800 . ?
C20A H20E 0.9800 . ?
C20A H20F 0.9800 . ?

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
O1 Sn1 N1 73.8(2) . . ?
O1 Sn1 Cl1 88.93(19) . . ?
N1 Sn1 Cl1 82.02(17) . . ?
O1 Sn1 N2 139.9(2) . . ?
N1 Sn1 N2 66.4(2) . . ?
Cl1 Sn1 N2 81.93(16) . . ?
O1 P1 O2 117.3(5) . . ?
O1 P1 C21 114.6(5) . . ?
O2 P1 C21 103.0(5) . . ?
O1 P1 C5 106.2(4) . . ?
O2 P1 C5 106.9(4) . . ?
C21 P1 C5 108.4(5) . . ?
P1 O1 Sn1 124.3(4) . . ?
C1 N1 C5 118.7(8) . . ?
C1 N1 Sn1 120.1(6) . . ?
C5 N1 Sn1 121.1(6) . . ?
N1 C1 C2 122.6(8) . . ?
N1 C1 C6 117.4(8) . . ?
C2 C1 C6 119.9(8) . . ?
Cl3 Sn2 Cl4 93.78(10) . . ?
Cl3 Sn2 Cl2 89.47(10) . . ?
Cl4 Sn2 Cl2 92.48(10) . . ?
C19 O2 P1 123(4) . . ?
C19A O2 P1 122.3(15) . . ?
C6 N2 C7 122.1(7) . . ?
C6 N2 Sn1 117.0(6) . . ?
C7 N2 Sn1 120.8(5) . . ?
C1 C2 C3 118.1(9) . . ?
C1 C2 H2 120.9 . . ?
C3 C2 H2 120.9 . . ?
C4 C3 C2 119.4(9) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C3 C4 C5 118.5(9) . . ?
C3 C4 H4 120.8 . . ?
C5 C4 H4 120.8 . . ?
N1 C5 C4 122.6(8) . . ?
N1 C5 P1 114.6(6) . . ?
C4 C5 P1 122.9(7) . . ?
N2 C6 C1 118.8(8) . . ?
N2 C6 H6 120.6 . . ?
C1 C6 H6 120.6 . . ?
C8 C7 C12 122.3(8) . . ?
C8 C7 N2 120.1(8) . . ?
C12 C7 N2 117.4(8) . . ?
C9 C8 C7 116.7(9) . . ?
C9 C8 C13 119.3(9) . . ?
C7 C8 C13 124.0(8) . . ?
C8 C9 C10 122.4(10) . . ?
C8 C9 H9 118.8 . . ?
C10 C9 H9 118.8 . . ?
C11 C10 C9 119.2(10) . . ?
C11 C10 H10 120.4 . . ?
C9 C10 H10 120.4 . . ?
C10 C11 C12 121.7(10) . . ?
C10 C11 H11 119.2 . . ?
C12 C11 H11 119.2 . . ?
C11 C12 C7 117.6(9) . . ?
C11 C12 C16 122.2(9) . . ?
C7 C12 C16 120.2(8) . . ?
C8 C13 C15 110.9(9) . . ?
C8 C13 C14 112.0(8) . . ?
C15 C13 C14 111.4(9) . . ?
C8 C13 H13 107.4 . . ?
C15 C13 H13 107.4 . . ?
C14 C13 H13 107.4 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 C18 113.9(9) . . ?
C12 C16 C17 110.2(8) . . ?
C18 C16 C17 110.1(9) . . ?
C12 C16 H16 107.4 . . ?
C18 C16 H16 107.4 . . ?
C17 C16 H16 107.4 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C26 C21 C22 120.1(10) . . ?
C26 C21 P1 121.3(9) . . ?
C22 C21 P1 118.6(8) . . ?
C21 C22 C23 119.7(10) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C24 C23 C22 118.6(12) . . ?
C24 C23 H23 120.7 . . ?
C22 C23 H23 120.7 . . ?
C25 C24 C23 121.2(12) . . ?
C25 C24 H24 119.4 . . ?
C23 C24 H24 119.4 . . ?
C24 C25 C26 121.2(12) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 H25 119.4 . . ?
C21 C26 C25 118.9(12) . . ?
C21 C26 H26 120.6 . . ?
C25 C26 H26 120.6 . . ?
O2 C19 C20 96(5) . . ?
O2 C19 H19A 112.5 . . ?
C20 C19 H19A 112.5 . . ?
O2 C19 H19B 112.5 . . ?
C20 C19 H19B 112.5 . . ?
H19A C19 H19B 110.0 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C20A C19A O2 112(3) . . ?
C20A C19A H19C 109.3 . . ?
O2 C19A H19C 109.3 . . ?
C20A C19A H19D 109.3 . . ?
O2 C19A H19D 109.3 . . ?
H19C C19A H19D 107.9 . . ?
C19A C20A H20D 109.5 . . ?
C19A C20A H20E 109.5 . . ?
H20D C20A H20E 109.5 . . ?
C19A C20A H20F 109.5 . . ?
H20D C20A H20F 109.5 . . ?
H20E C20A H20F 109.5 . . ?

_refine_diff_density_max         1.302
_refine_diff_density_min         -1.335
_refine_diff_density_rms         0.190



####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2182033'
loop_
_audit_author_name
_audit_author_address
'Ales Ruzicka'
;University of Pardubice
Czech Republic
;
_audit_update_record             
;
2022-06-27 deposited with the CCDC.	2023-02-03 downloaded from the CCDC.
;

_audit_creation_method           'APEX3 v2016.5-0'
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C31 H33 Cl N2 O P Sn, Cl3 Sn, C H2 Cl2'
_chemical_formula_sum            'C32 H35 Cl6 N2 O P Sn2'
_chemical_formula_weight         944.67

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   12.0479(6)
_cell_length_b                   12.0989(6)
_cell_length_c                   13.7729(7)
_cell_angle_alpha                87.484(2)
_cell_angle_beta                 68.313(2)
_cell_angle_gamma                78.076(2)
_cell_volume                     1824.10(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    57933
_cell_measurement_theta_min      1
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_F_000             932
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.395
_exptl_crystal_size_mid          0.366
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    1.881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5628
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_absorpt_special_details   
;
The ratio of minimum to maximum
apparent transmission was 0.755
;
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            57933
_diffrn_reflns_av_unetI/netI     0.0297
_diffrn_reflns_av_R_equivalents  0.0522
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.260
_diffrn_reflns_theta_max         27.611
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8437
_reflns_number_gt                7022
_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       'Bruker Instrument Service vV6.2.3'
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'
_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)+(0.0214P)²+2.3036P] 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         8437
_refine_ls_number_parameters     402
_refine_ls_number_restraints     348
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0269
_refine_ls_wR_factor_ref         0.0613
_refine_ls_wR_factor_gt          0.0563
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.039
_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 0.66041(2) 0.67141(2) 0.20081(2) 0.01704(5) Uani 1 1 d . U . . .
Cl1 Cl 0.77711(6) 0.74770(7) 0.03465(5) 0.03076(16) Uani 1 1 d . U . . .
P1 P 0.81022(6) 0.81697(6) 0.29132(5) 0.01602(13) Uani 1 1 d . U . . .
O1 O 0.81075(16) 0.70197(15) 0.25314(14) 0.0206(4) Uani 1 1 d . U . . .
N1 N 0.59189(17) 0.85596(17) 0.27496(15) 0.0132(4) Uani 1 1 d . U . . .
C1 C 0.6580(2) 0.9024(2) 0.31592(19) 0.0157(5) Uani 1 1 d . U . . .
Sn2 Sn 0.32064(2) 0.64576(2) 0.59217(2) 0.02199(5) Uani 1 1 d . U . . .
Cl2 Cl 0.21913(7) 0.82613(6) 0.53880(6) 0.03279(17) Uani 1 1 d . U . . .
N2 N 0.47096(18) 0.77044(17) 0.18012(16) 0.0151(4) Uani 1 1 d . U . . .
C2 C 0.6143(2) 1.0049(2) 0.37065(19) 0.0165(5) Uani 1 1 d . U . . .
H2 H 0.6635 1.0356 0.3982 0.020 Uiso 1 1 calc R U . . .
C3 C 0.4965(2) 1.0624(2) 0.38462(19) 0.0179(5) Uani 1 1 d . U . . .
H3 H 0.4639 1.1334 0.4215 0.021 Uiso 1 1 calc R U . . .
Cl3 Cl 0.52326(6) 0.67051(6) 0.46201(5) 0.02874(15) Uani 1 1 d . U . . .
C4 C 0.4277(2) 1.0146(2) 0.34398(19) 0.0162(5) Uani 1 1 d . U . . .
H4 H 0.3465 1.0518 0.3539 0.019 Uiso 1 1 calc R U . . .
Cl4 Cl 0.34489(7) 0.73950(6) 0.73585(5) 0.02938(15) Uani 1 1 d . U . . .
C5 C 0.4778(2) 0.9115(2) 0.28842(18) 0.0139(5) Uani 1 1 d . U . . .
Cl5 Cl 0.89508(7) 0.40702(8) 0.11526(8) 0.0452(2) Uani 1 1 d . U . . .
C6 C 0.8383(2) 0.8080(2) 0.4107(2) 0.0179(5) Uani 1 1 d . U . . .
Cl6 Cl 1.00648(10) 0.43370(11) 0.26392(9) 0.0627(3) Uani 1 1 d . U . . .
C7 C 0.8961(2) 0.8843(2) 0.4367(2) 0.0210(5) Uani 1 1 d . U . . .
H7 H 0.9188 0.9445 0.3920 0.025 Uiso 1 1 calc R U . . .
C8 C 0.9203(2) 0.8721(2) 0.5275(2) 0.0243(6) Uani 1 1 d . U . . .
H8 H 0.9598 0.9241 0.5451 0.029 Uiso 1 1 calc R U . . .
C9 C 0.8877(3) 0.7855(3) 0.5924(2) 0.0285(6) Uani 1 1 d . U . . .
H9 H 0.9047 0.7775 0.6547 0.034 Uiso 1 1 calc R U . . .
C10 C 0.8300(3) 0.7097(3) 0.5672(2) 0.0348(7) Uani 1 1 d . U . . .
H10 H 0.8074 0.6499 0.6125 0.042 Uiso 1 1 calc R U . . .
C11 C 0.8050(3) 0.7202(3) 0.4770(2) 0.0294(6) Uani 1 1 d . U . . .
H11 H 0.7653 0.6680 0.4601 0.035 Uiso 1 1 calc R U . . .
C13 C 1.0258(2) 0.8217(2) 0.1306(2) 0.0276(6) Uani 1 1 d . U . . .
H13 H 1.0363 0.7417 0.1297 0.033 Uiso 1 1 calc R U . . .
C12 C 0.9194(2) 0.8880(2) 0.2000(2) 0.0183(5) Uani 1 1 d . U . . .
C16 C 0.9969(3) 1.0550(3) 0.1337(2) 0.0293(6) Uani 1 1 d . U . . .
H16 H 0.9873 1.1349 0.1346 0.035 Uiso 1 1 calc R U . . .
C15 C 1.1022(3) 0.9888(3) 0.0653(2) 0.0292(6) Uani 1 1 d . U . . .
H15 H 1.1654 1.0232 0.0196 0.035 Uiso 1 1 calc R U . . .
C14 C 1.1159(3) 0.8727(3) 0.0634(3) 0.0338(7) Uani 1 1 d . U . . .
H14 H 1.1880 0.8275 0.0152 0.041 Uiso 1 1 calc R U . . .
C17 C 0.9052(3) 1.0049(2) 0.2008(2) 0.0267(6) Uani 1 1 d . U . . .
H17 H 0.8324 1.0506 0.2476 0.032 Uiso 1 1 calc R U . . .
C18 C 0.4102(2) 0.8582(2) 0.23809(18) 0.0138(5) Uani 1 1 d . U . . .
C19 C 0.2794(2) 0.9107(2) 0.2584(2) 0.0205(5) Uani 1 1 d . U . . .
H19A H 0.2730 0.9895 0.2376 0.031 Uiso 1 1 calc R U . . .
H19B H 0.2310 0.9079 0.3331 0.031 Uiso 1 1 calc R U . . .
H19C H 0.2486 0.8689 0.2179 0.031 Uiso 1 1 calc R U . . .
C20 C 0.4180(2) 0.7084(2) 0.12749(19) 0.0158(5) Uani 1 1 d . U . . .
C21 C 0.3461(2) 0.6326(2) 0.1834(2) 0.0178(5) Uani 1 1 d . U . . .
C22 C 0.3051(2) 0.5679(2) 0.1274(2) 0.0218(5) Uani 1 1 d . U . . .
H22 H 0.2552 0.5163 0.1633 0.026 Uiso 1 1 calc R U . . .
C23 C 0.3353(2) 0.5771(2) 0.0208(2) 0.0240(6) Uani 1 1 d . U . . .
H23 H 0.3073 0.5315 -0.0158 0.029 Uiso 1 1 calc R U . . .
C24 C 0.4063(2) 0.6528(2) -0.0326(2) 0.0232(6) Uani 1 1 d . U . . .
H24 H 0.4261 0.6588 -0.1058 0.028 Uiso 1 1 calc R U . . .
C25 C 0.4494(2) 0.7203(2) 0.0190(2) 0.0182(5) Uani 1 1 d . U . . .
C26 C 0.3145(2) 0.6157(2) 0.3001(2) 0.0210(5) Uani 1 1 d . U . . .
H26 H 0.3425 0.6751 0.3282 0.025 Uiso 1 1 calc R U . . .
C27 C 0.1768(3) 0.6292(3) 0.3590(2) 0.0331(7) Uani 1 1 d . U . . .
H27A H 0.1351 0.7039 0.3466 0.050 Uiso 1 1 calc R U . . .
H27B H 0.1596 0.6218 0.4341 0.050 Uiso 1 1 calc R U . . .
H27C H 0.1475 0.5705 0.3342 0.050 Uiso 1 1 calc R U . . .
C28 C 0.3826(3) 0.5008(2) 0.3180(2) 0.0272(6) Uani 1 1 d . U . . .
H28A H 0.3594 0.4412 0.2882 0.041 Uiso 1 1 calc R U . . .
H28B H 0.3616 0.4907 0.3932 0.041 Uiso 1 1 calc R U . . .
H28C H 0.4707 0.4966 0.2841 0.041 Uiso 1 1 calc R U . . .
C29 C 0.5202(2) 0.8085(2) -0.0389(2) 0.0212(5) Uani 1 1 d . U . . .
H29 H 0.5615 0.8320 0.0054 0.025 Uiso 1 1 calc R U . . .
C30 C 0.4333(2) 0.9132(2) -0.0544(2) 0.0242(6) Uani 1 1 d . U . . .
H30A H 0.4796 0.9713 -0.0878 0.036 Uiso 1 1 calc R U . . .
H30B H 0.3718 0.9426 0.0136 0.036 Uiso 1 1 calc R U . . .
H30C H 0.3928 0.8929 -0.0990 0.036 Uiso 1 1 calc R U . . .
C31 C 0.6187(3) 0.7644(3) -0.1446(2) 0.0302(7) Uani 1 1 d . U . . .
H31A H 0.5800 0.7499 -0.1928 0.045 Uiso 1 1 calc R U . . .
H31B H 0.6704 0.6940 -0.1351 0.045 Uiso 1 1 calc R U . . .
H31C H 0.6689 0.8209 -0.1736 0.045 Uiso 1 1 calc R U . . .
C32 C 1.0013(3) 0.4690(3) 0.1407(3) 0.0353(7) Uani 1 1 d . U . . .
H32A H 1.0831 0.4430 0.0862 0.042 Uiso 1 1 calc R U . . .
H32B H 0.9787 0.5522 0.1377 0.042 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 O1 2.2809(17) . ?
Sn1 N1 2.3506(19) . ?
Sn1 Cl1 2.4574(7) . ?
Sn1 N2 2.459(2) . ?
P1 O1 1.5068(18) . ?
P1 C12 1.790(3) . ?
P1 C6 1.792(3) . ?
P1 C1 1.826(2) . ?
N1 C1 1.347(3) . ?
N1 C5 1.348(3) . ?
C1 C2 1.380(3) . ?
Sn2 Cl4 2.4595(7) . ?
Sn2 Cl2 2.4938(8) . ?
Sn2 Cl3 2.5066(7) . ?
N2 C18 1.274(3) . ?
N2 C20 1.443(3) . ?
C2 C3 1.392(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.380(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.392(3) . ?
C4 H4 0.9500 . ?
C5 C18 1.494(3) . ?
Cl5 C32 1.753(3) . ?
C6 C11 1.393(4) . ?
C6 C7 1.395(3) . ?
Cl6 C32 1.752(4) . ?
C7 C8 1.380(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.371(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.384(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.377(4) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C13 C14 1.379(4) . ?
C13 C12 1.391(4) . ?
C13 H13 0.9500 . ?
C12 C17 1.389(4) . ?
C16 C15 1.378(4) . ?
C16 C17 1.384(4) . ?
C16 H16 0.9500 . ?
C15 C14 1.381(4) . ?
C15 H15 0.9500 . ?
C14 H14 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.497(3) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.399(4) . ?
C20 C25 1.407(4) . ?
C21 C22 1.396(3) . ?
C21 C26 1.523(4) . ?
C22 C23 1.381(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.382(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.394(4) . ?
C24 H24 0.9500 . ?
C25 C29 1.517(4) . ?
C26 C28 1.522(4) . ?
C26 C27 1.530(4) . ?
C26 H26 1.0000 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.530(4) . ?
C29 C31 1.531(4) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?

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
O1 Sn1 N1 74.97(6) . . ?
O1 Sn1 Cl1 84.61(5) . . ?
N1 Sn1 Cl1 89.01(5) . . ?
O1 Sn1 N2 141.48(6) . . ?
N1 Sn1 N2 66.96(7) . . ?
Cl1 Sn1 N2 88.94(5) . . ?
O1 P1 C12 114.19(11) . . ?
O1 P1 C6 111.01(12) . . ?
C12 P1 C6 107.75(12) . . ?
O1 P1 C1 106.61(11) . . ?
C12 P1 C1 108.23(12) . . ?
C6 P1 C1 108.93(11) . . ?
P1 O1 Sn1 121.68(10) . . ?
C1 N1 C5 118.8(2) . . ?
C1 N1 Sn1 121.48(16) . . ?
C5 N1 Sn1 119.26(15) . . ?
N1 C1 C2 122.8(2) . . ?
N1 C1 P1 113.52(17) . . ?
C2 C1 P1 123.68(19) . . ?
Cl4 Sn2 Cl2 92.92(2) . . ?
Cl4 Sn2 Cl3 93.50(2) . . ?
Cl2 Sn2 Cl3 90.22(3) . . ?
C18 N2 C20 122.5(2) . . ?
C18 N2 Sn1 117.90(16) . . ?
C20 N2 Sn1 116.97(15) . . ?
C1 C2 C3 118.5(2) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 H2 120.7 . . ?
C4 C3 C2 118.9(2) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C3 C4 C5 119.7(2) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
N1 C5 C4 121.3(2) . . ?
N1 C5 C18 116.5(2) . . ?
C4 C5 C18 122.2(2) . . ?
C11 C6 C7 119.6(2) . . ?
C11 C6 P1 118.9(2) . . ?
C7 C6 P1 121.5(2) . . ?
C8 C7 C6 119.8(3) . . ?
C8 C7 H7 120.1 . . ?
C6 C7 H7 120.1 . . ?
C9 C8 C7 120.4(3) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C8 C9 C10 120.0(3) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C11 C10 C9 120.5(3) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C6 119.6(3) . . ?
C10 C11 H11 120.2 . . ?
C6 C11 H11 120.2 . . ?
C14 C13 C12 119.7(3) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C17 C12 C13 119.6(2) . . ?
C17 C12 P1 122.6(2) . . ?
C13 C12 P1 117.7(2) . . ?
C15 C16 C17 120.0(3) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C15 C14 120.1(3) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C13 C14 C15 120.5(3) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C16 C17 C12 120.1(3) . . ?
C16 C17 H17 119.9 . . ?
C12 C17 H17 119.9 . . ?
N2 C18 C5 115.9(2) . . ?
N2 C18 C19 125.4(2) . . ?
C5 C18 C19 118.7(2) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C25 122.5(2) . . ?
C21 C20 N2 119.4(2) . . ?
C25 C20 N2 117.9(2) . . ?
C22 C21 C20 117.3(2) . . ?
C22 C21 C26 119.4(2) . . ?
C20 C21 C26 123.3(2) . . ?
C23 C22 C21 121.4(2) . . ?
C23 C22 H22 119.3 . . ?
C21 C22 H22 119.3 . . ?
C22 C23 C24 120.1(2) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C23 C24 C25 121.2(3) . . ?
C23 C24 H24 119.4 . . ?
C25 C24 H24 119.4 . . ?
C24 C25 C20 117.4(2) . . ?
C24 C25 C29 120.8(2) . . ?
C20 C25 C29 121.7(2) . . ?
C28 C26 C21 110.0(2) . . ?
C28 C26 C27 111.1(2) . . ?
C21 C26 C27 111.8(2) . . ?
C28 C26 H26 107.9 . . ?
C21 C26 H26 107.9 . . ?
C27 C26 H26 107.9 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C25 C29 C30 110.4(2) . . ?
C25 C29 C31 113.2(2) . . ?
C30 C29 C31 109.7(2) . . ?
C25 C29 H29 107.8 . . ?
C30 C29 H29 107.8 . . ?
C31 C29 H29 107.8 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Cl6 C32 Cl5 111.20(18) . . ?
Cl6 C32 H32A 109.4 . . ?
Cl5 C32 H32A 109.4 . . ?
Cl6 C32 H32B 109.4 . . ?
Cl5 C32 H32B 109.4 . . ?
H32A C32 H32B 108.0 . . ?

_refine_diff_density_max         0.737
_refine_diff_density_min         -0.838
_refine_diff_density_rms         0.095



####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2182035'
loop_
_audit_author_name
_audit_author_address
'Ales Ruzicka'
;University of Pardubice
Czech Republic
;
_audit_update_record             
;
2022-06-27 deposited with the CCDC.	2023-02-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H31 Cl N2 O P Sn, Cl3 Sn'
_chemical_formula_sum            'C30 H31 Cl4 N2 O P Sn2'
_chemical_formula_weight         845.72

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   8.6557(5)
_cell_length_b                   13.0223(7)
_cell_length_c                   16.2740(8)
_cell_angle_alpha                73.940(2)
_cell_angle_beta                 82.797(2)
_cell_angle_gamma                72.263(2)
_cell_volume                     1677.28(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    53897
_cell_measurement_theta_min      1
_cell_measurement_theta_max      27.5

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_F_000             832
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.593
_exptl_crystal_size_mid          0.166
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    1.881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3185
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_absorpt_special_details   
;
The ratio of minimum to maximum
apparent transmission was 0.427
;
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            53897
_diffrn_reflns_av_unetI/netI     0.0257
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.387
_diffrn_reflns_theta_max         27.583
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7715
_reflns_number_gt                6699
_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       'Bruker Instrument Service vV6.2.3'
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'
_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)+(0.0223P)²+1.8276P] 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         7715
_refine_ls_number_parameters     365
_refine_ls_number_restraints     330
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0235
_refine_ls_wR_factor_ref         0.0575
_refine_ls_wR_factor_gt          0.0544
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.057
_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
Sn1 Sn 0.58447(2) 0.48267(2) 0.14093(2) 0.01526(4) Uani 1 1 d . U . . .
Cl1 Cl 0.32866(7) 0.56669(6) 0.06617(4) 0.02598(14) Uani 1 1 d . U . . .
P1 P 0.45445(7) 0.25640(5) 0.20859(3) 0.01270(11) Uani 1 1 d . U . . .
O1 O 0.57966(19) 0.30670(14) 0.15268(10) 0.0165(3) Uani 1 1 d . U . . .
N1 N 0.4092(2) 0.43678(15) 0.26511(11) 0.0121(4) Uani 1 1 d . U . . .
C1 C 0.3578(3) 0.50426(18) 0.31896(14) 0.0139(4) Uani 1 1 d . U . . .
Sn2 Sn 0.80020(2) 0.17173(2) 0.45919(2) 0.01896(5) Uani 1 1 d . U . . .
Cl2 Cl 0.77932(8) 0.33654(5) 0.33226(4) 0.02857(14) Uani 1 1 d . U . . .
N2 N 0.4819(2) 0.63366(16) 0.22460(12) 0.0149(4) Uani 1 1 d . U . . .
C2 C 0.2686(3) 0.4754(2) 0.39467(14) 0.0181(5) Uani 1 1 d . U . . .
H2 H 0.2347 0.5237 0.4318 0.022 Uiso 1 1 calc R U . . .
C3 C 0.2296(3) 0.3753(2) 0.41528(14) 0.0193(5) Uani 1 1 d . U . . .
H3 H 0.1675 0.3548 0.4663 0.023 Uiso 1 1 calc R U . . .
Cl3 Cl 0.90086(9) 0.25985(6) 0.55228(4) 0.03065(15) Uani 1 1 d . U . . .
Cl4 Cl 1.07684(7) 0.08324(5) 0.40738(4) 0.02495(13) Uani 1 1 d . U . . .
C4 C 0.2825(3) 0.3054(2) 0.36040(14) 0.0167(5) Uani 1 1 d . U . . .
H4 H 0.2582 0.2361 0.3733 0.020 Uiso 1 1 calc R U . . .
C5 C 0.3720(3) 0.33947(18) 0.28592(13) 0.0123(4) Uani 1 1 d . U . . .
C6 C 0.4018(3) 0.60957(19) 0.29450(14) 0.0163(4) Uani 1 1 d . U . . .
H6 H 0.3704 0.6592 0.3307 0.020 Uiso 1 1 calc R U . . .
C7 C 0.5336(3) 0.73371(19) 0.20024(14) 0.0153(4) Uani 1 1 d . U . . .
C8 C 0.4275(3) 0.8348(2) 0.15766(15) 0.0197(5) Uani 1 1 d . U . . .
C9 C 0.4900(3) 0.9270(2) 0.12973(16) 0.0246(5) Uani 1 1 d . U . . .
H9 H 0.4225 0.9964 0.0997 0.029 Uiso 1 1 calc R U . . .
C10 C 0.6471(3) 0.9193(2) 0.14486(16) 0.0257(5) Uani 1 1 d . U . . .
H10 H 0.6861 0.9831 0.1257 0.031 Uiso 1 1 calc R U . . .
C11 C 0.7481(3) 0.8185(2) 0.18796(15) 0.0223(5) Uani 1 1 d . U . . .
H11 H 0.8553 0.8143 0.1991 0.027 Uiso 1 1 calc R U . . .
C12 C 0.6948(3) 0.7231(2) 0.21526(14) 0.0175(5) Uani 1 1 d . U . . .
C13 C 0.2509(3) 0.8475(2) 0.14502(17) 0.0258(5) Uani 1 1 d . U . . .
H13 H 0.2327 0.7721 0.1650 0.031 Uiso 1 1 calc R U . . .
C14 C 0.2081(4) 0.8950(3) 0.0504(2) 0.0397(7) Uani 1 1 d . U . . .
H14A H 0.2246 0.9693 0.0296 0.060 Uiso 1 1 calc R U . . .
H14B H 0.0943 0.9004 0.0449 0.060 Uiso 1 1 calc R U . . .
H14C H 0.2781 0.8457 0.0165 0.060 Uiso 1 1 calc R U . . .
C15 C 0.1397(4) 0.9216(3) 0.1999(2) 0.0397(7) Uani 1 1 d . U . . .
H15A H 0.1601 0.9947 0.1835 0.060 Uiso 1 1 calc R U . . .
H15B H 0.1619 0.8867 0.2604 0.060 Uiso 1 1 calc R U . . .
H15C H 0.0261 0.9305 0.1908 0.060 Uiso 1 1 calc R U . . .
C16 C 0.8052(3) 0.6125(2) 0.26202(15) 0.0194(5) Uani 1 1 d . U . . .
H16 H 0.7562 0.5530 0.2598 0.023 Uiso 1 1 calc R U . . .
C17 C 0.9762(3) 0.5855(3) 0.2198(2) 0.0392(7) Uani 1 1 d . U . . .
H17A H 0.9685 0.5922 0.1588 0.059 Uiso 1 1 calc R U . . .
H17B H 1.0372 0.5092 0.2474 0.059 Uiso 1 1 calc R U . . .
H17C H 1.0322 0.6377 0.2261 0.059 Uiso 1 1 calc R U . . .
C18 C 0.8123(4) 0.6080(3) 0.35610(17) 0.0330(6) Uani 1 1 d . U . . .
H18A H 0.8678 0.6613 0.3609 0.049 Uiso 1 1 calc R U . . .
H18B H 0.8720 0.5327 0.3865 0.049 Uiso 1 1 calc R U . . .
H18C H 0.7018 0.6272 0.3814 0.049 Uiso 1 1 calc R U . . .
C19 C 0.5415(3) 0.11777(19) 0.26942(14) 0.0164(4) Uani 1 1 d . U . . .
C20 C 0.7048(3) 0.0846(2) 0.28944(16) 0.0232(5) Uani 1 1 d . U . . .
H20 H 0.7707 0.1333 0.2665 0.028 Uiso 1 1 calc R U . . .
C21 C 0.7704(4) -0.0198(2) 0.34303(17) 0.0288(6) Uani 1 1 d . U . . .
H21 H 0.8812 -0.0427 0.3568 0.035 Uiso 1 1 calc R U . . .
C22 C 0.6737(4) -0.0904(2) 0.37641(17) 0.0331(6) Uani 1 1 d . U . . .
H22 H 0.7182 -0.1608 0.4143 0.040 Uiso 1 1 calc R U . . .
C23 C 0.5130(4) -0.0595(2) 0.35522(18) 0.0330(6) Uani 1 1 d . U . . .
H23 H 0.4485 -0.1093 0.3775 0.040 Uiso 1 1 calc R U . . .
C24 C 0.4465(3) 0.0444(2) 0.30121(16) 0.0239(5) Uani 1 1 d . U . . .
H24 H 0.3367 0.0656 0.2859 0.029 Uiso 1 1 calc R U . . .
C25 C 0.2919(3) 0.26028(19) 0.14877(14) 0.0159(4) Uani 1 1 d . U . . .
C26 C 0.1349(3) 0.2642(2) 0.18323(16) 0.0226(5) Uani 1 1 d . U . . .
H26 H 0.1085 0.2660 0.2414 0.027 Uiso 1 1 calc R U . . .
C27 C 0.0172(3) 0.2653(2) 0.13183(18) 0.0284(6) Uani 1 1 d . U . . .
H27 H -0.0900 0.2680 0.1549 0.034 Uiso 1 1 calc R U . . .
C28 C 0.0556(4) 0.2625(2) 0.04737(19) 0.0323(6) Uani 1 1 d . U . . .
H28 H -0.0251 0.2630 0.0126 0.039 Uiso 1 1 calc R U . . .
C29 C 0.2115(4) 0.2589(3) 0.01301(18) 0.0352(7) Uani 1 1 d . U . . .
H29 H 0.2371 0.2570 -0.0451 0.042 Uiso 1 1 calc R U . . .
C30 C 0.3298(3) 0.2582(2) 0.06322(16) 0.0256(5) Uani 1 1 d . U . . .
H30 H 0.4364 0.2562 0.0395 0.031 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 O1 2.2589(17) . ?
Sn1 N1 2.4201(18) . ?
Sn1 Cl1 2.4582(6) . ?
Sn1 N2 2.5735(19) . ?
P1 O1 1.5123(17) . ?
P1 C19 1.782(2) . ?
P1 C25 1.789(2) . ?
P1 C5 1.822(2) . ?
N1 C5 1.345(3) . ?
N1 C1 1.352(3) . ?
C1 C2 1.392(3) . ?
C1 C6 1.470(3) . ?
Sn2 Cl4 2.4744(6) . ?
Sn2 Cl3 2.5046(7) . ?
Sn2 Cl2 2.5121(7) . ?
N2 C6 1.269(3) . ?
N2 C7 1.442(3) . ?
C2 C3 1.387(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.389(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.394(3) . ?
C4 H4 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.405(3) . ?
C7 C8 1.406(3) . ?
C8 C9 1.404(4) . ?
C8 C13 1.521(4) . ?
C9 C10 1.381(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.387(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.395(3) . ?
C11 H11 0.9500 . ?
C12 C16 1.519(3) . ?
C13 C15 1.532(4) . ?
C13 C14 1.538(4) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C18 1.524(3) . ?
C16 C17 1.532(4) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C24 1.398(4) . ?
C19 C20 1.399(3) . ?
C20 C21 1.389(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.384(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.386(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.396(3) . ?
C25 C30 1.396(3) . ?
C26 C27 1.392(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.381(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.386(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.385(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?

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
O1 Sn1 N1 73.80(6) . . ?
O1 Sn1 Cl1 93.45(4) . . ?
N1 Sn1 Cl1 83.95(4) . . ?
O1 Sn1 N2 139.21(6) . . ?
N1 Sn1 N2 65.67(6) . . ?
Cl1 Sn1 N2 86.87(4) . . ?
O1 P1 C19 112.47(10) . . ?
O1 P1 C25 112.39(10) . . ?
C19 P1 C25 110.09(11) . . ?
O1 P1 C5 106.60(10) . . ?
C19 P1 C5 106.20(10) . . ?
C25 P1 C5 108.77(10) . . ?
P1 O1 Sn1 122.64(9) . . ?
C5 N1 C1 118.47(19) . . ?
C5 N1 Sn1 120.76(14) . . ?
C1 N1 Sn1 120.54(15) . . ?
N1 C1 C2 121.8(2) . . ?
N1 C1 C6 117.01(19) . . ?
C2 C1 C6 121.2(2) . . ?
Cl4 Sn2 Cl3 93.42(2) . . ?
Cl4 Sn2 Cl2 89.80(2) . . ?
Cl3 Sn2 Cl2 93.04(2) . . ?
C6 N2 C7 121.1(2) . . ?
C6 N2 Sn1 116.79(15) . . ?
C7 N2 Sn1 121.45(14) . . ?
C3 C2 C1 119.3(2) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C2 C3 C4 119.2(2) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C3 C4 C5 118.4(2) . . ?
C3 C4 H4 120.8 . . ?
C5 C4 H4 120.8 . . ?
N1 C5 C4 122.9(2) . . ?
N1 C5 P1 113.21(15) . . ?
C4 C5 P1 123.91(17) . . ?
N2 C6 C1 119.5(2) . . ?
N2 C6 H6 120.3 . . ?
C1 C6 H6 120.3 . . ?
C12 C7 C8 122.7(2) . . ?
C12 C7 N2 117.3(2) . . ?
C8 C7 N2 119.8(2) . . ?
C9 C8 C7 116.8(2) . . ?
C9 C8 C13 120.5(2) . . ?
C7 C8 C13 122.7(2) . . ?
C10 C9 C8 121.7(2) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C9 C10 C11 120.1(2) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C12 121.0(2) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C11 C12 C7 117.7(2) . . ?
C11 C12 C16 121.2(2) . . ?
C7 C12 C16 121.1(2) . . ?
C8 C13 C15 109.8(2) . . ?
C8 C13 C14 112.0(2) . . ?
C15 C13 C14 110.5(2) . . ?
C8 C13 H13 108.2 . . ?
C15 C13 H13 108.2 . . ?
C14 C13 H13 108.2 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 C18 111.0(2) . . ?
C12 C16 C17 112.9(2) . . ?
C18 C16 C17 110.9(2) . . ?
C12 C16 H16 107.2 . . ?
C18 C16 H16 107.2 . . ?
C17 C16 H16 107.2 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C24 C19 C20 119.9(2) . . ?
C24 C19 P1 120.84(18) . . ?
C20 C19 P1 119.19(19) . . ?
C21 C20 C19 119.8(3) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C22 C21 C20 119.9(3) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C21 C22 C23 120.9(2) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C22 C23 C24 119.7(3) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C23 C24 C19 119.9(3) . . ?
C23 C24 H24 120.1 . . ?
C19 C24 H24 120.1 . . ?
C26 C25 C30 120.0(2) . . ?
C26 C25 P1 123.76(18) . . ?
C30 C25 P1 116.20(18) . . ?
C27 C26 C25 119.5(2) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
C28 C27 C26 120.2(3) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C27 C28 C29 120.4(2) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C30 C29 C28 120.2(3) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C29 C30 C25 119.7(3) . . ?
C29 C30 H30 120.1 . . ?
C25 C30 H30 120.1 . . ?

_refine_diff_density_max         0.433
_refine_diff_density_min         -0.857
_refine_diff_density_rms         0.094



####################################################################### 
# 
# 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_9
_database_code_depnum_ccdc_archive 'CCDC 2182037'
loop_
_audit_author_name
_audit_author_address
'Ales Ruzicka'
;University of Pardubice
Czech Republic
;
_audit_update_record             
;
2022-06-27 deposited with the CCDC.	2023-02-03 downloaded from the CCDC.
;

_audit_creation_method           'APEX3 v2016.5-0'
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C26 H39 F3 N2 O7 P S Sn, C F3 O3 S, 0.5(C6 H14)'
_chemical_formula_sum            'C30 H46 F6 N2 O10 P S2 Sn'
_chemical_formula_weight         922.47

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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'

_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+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   24.7026(10)
_cell_length_b                   16.5078(6)
_cell_length_c                   18.7687(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7653.6(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    65770
_cell_measurement_theta_min      1
_cell_measurement_theta_max      25

_exptl_crystal_description       block
_exptl_crystal_colour            'fluorescent gold'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_F_000             3768
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.353
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.184
_exptl_absorpt_coefficient_mu    0.902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6599
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_absorpt_special_details   
;
The ratio of minimum to maximum
apparent transmission was 0.885
;
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            50179
_diffrn_reflns_av_unetI/netI     0.0561
_diffrn_reflns_av_R_equivalents  0.1168
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.328
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_full        24.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6731
_reflns_number_gt                4755
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       'Bruker Instrument Service vV6.2.3'
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'
_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)+(0.0417P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6731
_refine_ls_number_parameters     458
_refine_ls_number_restraints     398
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0386
_refine_ls_wR_factor_ref         0.0886
_refine_ls_wR_factor_gt          0.0813
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.039
_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 0.27666(2) 0.66672(2) 0.45782(2) 0.01488(9) Uani 1 1 d D U . . .
H1W H 0.2949(14) 0.8404(5) 0.4662(9) 0.042(15) Uiso 1 1 d D . . . .
S1 S 0.24506(5) 0.46551(6) 0.57159(6) 0.0242(2) Uani 1 1 d . U . . .
P1 P 0.36381(4) 0.67483(6) 0.59330(5) 0.0170(2) Uani 1 1 d . U . . .
F1 F 0.49979(10) 0.71173(15) 0.35481(14) 0.0421(7) Uani 1 1 d . U . . .
O1 O 0.30003(11) 0.79738(15) 0.44319(14) 0.0209(6) Uani 1 1 d D U . . .
H1 H 0.3275(10) 0.7932(18) 0.4183(18) 0.031 Uiso 1 1 d D U . . .
N1 N 0.26025(12) 0.71399(16) 0.57565(16) 0.0124(7) Uani 1 1 d D U . . .
C1 C 0.30009(15) 0.71285(19) 0.6252(2) 0.0135(8) Uani 1 1 d . U . . .
F2 F 0.46272(11) 0.60572(16) 0.31096(14) 0.0504(8) Uani 1 1 d . U . . .
O2 O 0.35761(10) 0.65762(13) 0.51568(14) 0.0194(6) Uani 1 1 d . U . . .
S2 S 0.39682(4) 0.72857(6) 0.32720(6) 0.0256(3) Uani 1 1 d . U . . .
N2 N 0.18395(12) 0.72532(16) 0.47586(16) 0.0144(7) Uani 1 1 d . U . . .
C2 C 0.29168(16) 0.7351(2) 0.6954(2) 0.0205(9) Uani 1 1 d . U . . .
H2 H 0.3207 0.7348 0.7287 0.025 Uiso 1 1 calc R U . . .
F3 F 0.44864(10) 0.63677(14) 0.41943(13) 0.0386(6) Uani 1 1 d . U . . .
O3 O 0.40963(10) 0.73520(14) 0.61279(14) 0.0233(6) Uani 1 1 d . U . . .
C3 C 0.24053(16) 0.7576(2) 0.7160(2) 0.0255(10) Uani 1 1 d . U . . .
H3 H 0.2335 0.7727 0.7639 0.031 Uiso 1 1 calc R U . . .
F4 F 0.20664(13) 0.43140(16) 0.69735(15) 0.0628(9) Uani 1 1 d . U . . .
O4 O 0.37475(10) 0.60178(14) 0.64306(14) 0.0228(6) Uani 1 1 d . U . . .
C4 C 0.19924(16) 0.7580(2) 0.6659(2) 0.0202(9) Uani 1 1 d . U . . .
H4 H 0.1636 0.7729 0.6794 0.024 Uiso 1 1 calc R U . . .
O5 O 0.39679(11) 0.79501(15) 0.37765(15) 0.0289(7) Uani 1 1 d . U . . .
F5 F 0.17135(12) 0.53576(16) 0.64961(16) 0.0608(9) Uani 1 1 d . U . . .
C5 C 0.21025(15) 0.7367(2) 0.5957(2) 0.0137(8) Uani 1 1 d . U . . .
C6 C 0.42133(18) 0.8102(2) 0.5732(2) 0.0312(11) Uani 1 1 d . U . . .
H6 H 0.3911 0.8217 0.5392 0.037 Uiso 1 1 calc R U . . .
O6 O 0.35128(11) 0.67477(16) 0.33521(16) 0.0325(7) Uani 1 1 d . U . . .
F6 F 0.25143(13) 0.54285(17) 0.69193(15) 0.0591(8) Uani 1 1 d . U . . .
O7 O 0.41017(12) 0.75036(19) 0.25524(16) 0.0411(8) Uani 1 1 d . U . . .
C7 C 0.4723(2) 0.7974(3) 0.5326(3) 0.0544(15) Uani 1 1 d . U . . .
H7A H 0.4671 0.7536 0.4980 0.082 Uiso 1 1 calc R U . . .
H7B H 0.5015 0.7829 0.5656 0.082 Uiso 1 1 calc R U . . .
H7C H 0.4819 0.8474 0.5073 0.082 Uiso 1 1 calc R U . . .
C8 C 0.4251(2) 0.8769(2) 0.6261(3) 0.0491(14) Uani 1 1 d . U . . .
H8A H 0.4299 0.9286 0.6012 0.074 Uiso 1 1 calc R U . . .
H8B H 0.4560 0.8673 0.6577 0.074 Uiso 1 1 calc R U . . .
H8C H 0.3917 0.8788 0.6544 0.074 Uiso 1 1 calc R U . . .
O8 O 0.20299(12) 0.41538(17) 0.54145(17) 0.0408(8) Uani 1 1 d . U . . .
C9 C 0.40603(17) 0.5285(2) 0.6231(2) 0.0307(10) Uani 1 1 d . U . . .
H9 H 0.3875 0.5014 0.5822 0.037 Uiso 1 1 calc R U . . .
O9 O 0.25200(15) 0.54194(16) 0.53673(16) 0.0449(9) Uani 1 1 d . U . . .
C10 C 0.4617(2) 0.5498(3) 0.6012(3) 0.0678(19) Uani 1 1 d . U . . .
H10A H 0.4816 0.5004 0.5889 0.102 Uiso 1 1 calc R U . . .
H10B H 0.4801 0.5775 0.6405 0.102 Uiso 1 1 calc R U . . .
H10C H 0.4604 0.5857 0.5596 0.102 Uiso 1 1 calc R U . . .
O10 O 0.29438(12) 0.42378(17) 0.58790(17) 0.0406(8) Uani 1 1 d . U . . .
C11 C 0.40237(19) 0.4742(2) 0.6869(2) 0.0407(12) Uani 1 1 d . U . . .
H11A H 0.3642 0.4638 0.6980 0.061 Uiso 1 1 calc R U . . .
H11B H 0.4198 0.5004 0.7277 0.061 Uiso 1 1 calc R U . . .
H11C H 0.4207 0.4228 0.6766 0.061 Uiso 1 1 calc R U . . .
C12 C 0.16795(15) 0.7408(2) 0.5397(2) 0.0174(8) Uani 1 1 d . U . . .
C14 C 0.12549(15) 0.6576(2) 0.3881(2) 0.0179(8) Uani 1 1 d . U . . .
C13 C 0.14657(15) 0.7300(2) 0.4163(2) 0.0151(8) Uani 1 1 d . U . . .
C15 C 0.09136(15) 0.6625(2) 0.3300(2) 0.0225(9) Uani 1 1 d . U . . .
H15 H 0.0765 0.6142 0.3105 0.027 Uiso 1 1 calc R U . . .
C16 C 0.07840(16) 0.7358(2) 0.2997(2) 0.0235(9) Uani 1 1 d . U . . .
H16 H 0.0547 0.7380 0.2599 0.028 Uiso 1 1 calc R U . . .
C17 C 0.10001(16) 0.8061(2) 0.3276(2) 0.0224(9) Uani 1 1 d . U . . .
H17 H 0.0908 0.8565 0.3064 0.027 Uiso 1 1 calc R U . . .
C20 C 0.0905(2) 0.5430(3) 0.4635(3) 0.0565(16) Uani 1 1 d . U . . .
H20A H 0.0595 0.5354 0.4316 0.085 Uiso 1 1 calc R U . . .
H20B H 0.0810 0.5822 0.5008 0.085 Uiso 1 1 calc R U . . .
H20C H 0.1001 0.4912 0.4855 0.085 Uiso 1 1 calc R U . . .
C21 C 0.1563(2) 0.5136(2) 0.3661(3) 0.0468(14) Uani 1 1 d . U . . .
H21A H 0.1256 0.4999 0.3353 0.070 Uiso 1 1 calc R U . . .
H21B H 0.1693 0.4646 0.3901 0.070 Uiso 1 1 calc R U . . .
H21C H 0.1855 0.5367 0.3372 0.070 Uiso 1 1 calc R U . . .
C22 C 0.15880(16) 0.8847(2) 0.4124(2) 0.0222(9) Uani 1 1 d . U . . .
H22 H 0.1792 0.8731 0.4572 0.027 Uiso 1 1 calc R U . . .
C23 C 0.11581(18) 0.9469(2) 0.4294(3) 0.0364(11) Uani 1 1 d . U . . .
H23A H 0.0969 0.9623 0.3856 0.055 Uiso 1 1 calc R U . . .
H23B H 0.1328 0.9949 0.4505 0.055 Uiso 1 1 calc R U . . .
H23C H 0.0899 0.9239 0.4633 0.055 Uiso 1 1 calc R U . . .
C24 C 0.19907(18) 0.9193(2) 0.3578(3) 0.0365(12) Uani 1 1 d . U . . .
H24A H 0.2281 0.8800 0.3495 0.055 Uiso 1 1 calc R U . . .
H24B H 0.2146 0.9697 0.3763 0.055 Uiso 1 1 calc R U . . .
H24C H 0.1802 0.9304 0.3129 0.055 Uiso 1 1 calc R U . . .
C25 C 0.11203(16) 0.7643(3) 0.5609(2) 0.0287(10) Uani 1 1 d . U . . .
H25A H 0.1117 0.8211 0.5761 0.043 Uiso 1 1 calc R U . . .
H25B H 0.0999 0.7298 0.6004 0.043 Uiso 1 1 calc R U . . .
H25C H 0.0876 0.7573 0.5203 0.043 Uiso 1 1 calc R U . . .
C26 C 0.45497(17) 0.6684(3) 0.3546(2) 0.0274(9) Uani 1 1 d . U . . .
C27 C 0.2174(2) 0.4948(3) 0.6571(2) 0.0359(11) Uani 1 1 d . U . . .
C19 C 0.13851(16) 0.5748(2) 0.4211(2) 0.0227(9) Uani 1 1 d . U . . .
H19 H 0.1692 0.5826 0.4551 0.027 Uiso 1 1 calc R U . . .
C18 C 0.13494(15) 0.8052(2) 0.3857(2) 0.0180(8) Uani 1 1 d . 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 O1 2.250(2) . ?
Sn1 O2 2.280(3) . ?
Sn1 N1 2.380(3) . ?
Sn1 N2 2.509(3) . ?
S1 O9 1.431(3) . ?
S1 O10 1.433(3) . ?
S1 O8 1.444(3) . ?
S1 C27 1.810(5) . ?
P1 O2 1.492(3) . ?
P1 O4 1.549(3) . ?
P1 O3 1.552(3) . ?
P1 C1 1.797(4) . ?
F1 C26 1.318(5) . ?
O1 H1W 0.840(8) . ?
O1 H1 0.826(10) . ?
N1 C5 1.344(4) . ?
N1 C1 1.354(5) . ?
C1 C2 1.384(5) . ?
F2 C26 1.333(4) . ?
S2 O7 1.436(3) . ?
S2 O6 1.441(3) . ?
S2 O5 1.449(3) . ?
S2 C26 1.821(4) . ?
N2 C12 1.288(5) . ?
N2 C13 1.452(5) . ?
C2 C3 1.372(5) . ?
C2 H2 0.9500 . ?
F3 C26 1.333(5) . ?
O3 C6 1.473(4) . ?
C3 C4 1.388(5) . ?
C3 H3 0.9500 . ?
F4 C27 1.318(5) . ?
O4 C9 1.484(4) . ?
C4 C5 1.390(5) . ?
C4 H4 0.9500 . ?
F5 C27 1.330(5) . ?
C5 C12 1.483(5) . ?
C6 C8 1.486(6) . ?
C6 C7 1.487(6) . ?
C6 H6 1.0000 . ?
F6 C27 1.329(5) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.478(6) . ?
C9 C11 1.498(5) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C25 1.489(5) . ?
C14 C15 1.381(5) . ?
C14 C13 1.407(5) . ?
C14 C19 1.535(5) . ?
C13 C18 1.398(5) . ?
C15 C16 1.374(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.381(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.392(5) . ?
C17 H17 0.9500 . ?
C20 C19 1.522(6) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C19 1.508(6) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.512(5) . ?
C22 C18 1.523(5) . ?
C22 C24 1.537(6) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C19 H19 1.0000 . ?

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
O1 Sn1 O2 84.05(9) . . ?
O1 Sn1 N1 80.95(9) . . ?
O2 Sn1 N1 74.24(9) . . ?
O1 Sn1 N2 83.17(9) . . ?
O2 Sn1 N2 139.59(9) . . ?
N1 Sn1 N2 65.96(10) . . ?
O9 S1 O10 114.8(2) . . ?
O9 S1 O8 114.3(2) . . ?
O10 S1 O8 114.84(18) . . ?
O9 S1 C27 102.43(19) . . ?
O10 S1 C27 105.1(2) . . ?
O8 S1 C27 103.2(2) . . ?
O2 P1 O4 117.27(14) . . ?
O2 P1 O3 115.31(15) . . ?
O4 P1 O3 103.33(15) . . ?
O2 P1 C1 107.56(16) . . ?
O4 P1 C1 102.94(16) . . ?
O3 P1 C1 109.64(15) . . ?
Sn1 O1 H1W 135.1(8) . . ?
Sn1 O1 H1 101(2) . . ?
H1W O1 H1 119.0(17) . . ?
C5 N1 C1 118.7(3) . . ?
C5 N1 Sn1 120.5(2) . . ?
C1 N1 Sn1 120.7(2) . . ?
N1 C1 C2 122.8(3) . . ?
N1 C1 P1 114.4(3) . . ?
C2 C1 P1 122.8(3) . . ?
P1 O2 Sn1 122.86(14) . . ?
O7 S2 O6 115.58(18) . . ?
O7 S2 O5 115.15(18) . . ?
O6 S2 O5 113.45(17) . . ?
O7 S2 C26 102.79(18) . . ?
O6 S2 C26 104.47(18) . . ?
O5 S2 C26 103.22(18) . . ?
C12 N2 C13 120.7(3) . . ?
C12 N2 Sn1 118.8(2) . . ?
C13 N2 Sn1 119.8(2) . . ?
C3 C2 C1 118.5(4) . . ?
C3 C2 H2 120.7 . . ?
C1 C2 H2 120.7 . . ?
C6 O3 P1 124.3(2) . . ?
C2 C3 C4 119.2(4) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C9 O4 P1 125.0(2) . . ?
C3 C4 C5 119.8(4) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
N1 C5 C4 121.0(3) . . ?
N1 C5 C12 117.5(3) . . ?
C4 C5 C12 121.4(3) . . ?
O3 C6 C8 107.3(3) . . ?
O3 C6 C7 107.8(4) . . ?
C8 C6 C7 113.3(4) . . ?
O3 C6 H6 109.5 . . ?
C8 C6 H6 109.5 . . ?
C7 C6 H6 109.5 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 O4 111.1(3) . . ?
C10 C9 C11 114.9(4) . . ?
O4 C9 C11 104.8(3) . . ?
C10 C9 H9 108.6 . . ?
O4 C9 H9 108.6 . . ?
C11 C9 H9 108.6 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 C5 115.7(3) . . ?
N2 C12 C25 125.8(4) . . ?
C5 C12 C25 118.5(3) . . ?
C15 C14 C13 118.3(3) . . ?
C15 C14 C19 119.9(3) . . ?
C13 C14 C19 121.8(3) . . ?
C18 C13 C14 121.6(3) . . ?
C18 C13 N2 119.6(3) . . ?
C14 C13 N2 118.7(3) . . ?
C16 C15 C14 121.3(4) . . ?
C16 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
C15 C16 C17 119.6(4) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 H16 120.2 . . ?
C16 C17 C18 121.9(4) . . ?
C16 C17 H17 119.1 . . ?
C18 C17 H17 119.1 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C18 112.5(3) . . ?
C23 C22 C24 110.1(3) . . ?
C18 C22 C24 110.6(3) . . ?
C23 C22 H22 107.8 . . ?
C18 C22 H22 107.8 . . ?
C24 C22 H22 107.8 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C12 C25 H25A 109.5 . . ?
C12 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C12 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
F1 C26 F3 108.0(3) . . ?
F1 C26 F2 107.6(3) . . ?
F3 C26 F2 105.9(3) . . ?
F1 C26 S2 111.5(3) . . ?
F3 C26 S2 112.3(3) . . ?
F2 C26 S2 111.3(3) . . ?
F4 C27 F6 108.6(4) . . ?
F4 C27 F5 107.0(4) . . ?
F6 C27 F5 106.8(4) . . ?
F4 C27 S1 111.9(3) . . ?
F6 C27 S1 110.9(3) . . ?
F5 C27 S1 111.4(3) . . ?
C21 C19 C20 110.8(4) . . ?
C21 C19 C14 112.4(3) . . ?
C20 C19 C14 110.8(3) . . ?
C21 C19 H19 107.6 . . ?
C20 C19 H19 107.6 . . ?
C14 C19 H19 107.6 . . ?
C17 C18 C13 117.3(3) . . ?
C17 C18 C22 119.2(3) . . ?
C13 C18 C22 123.5(3) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1W S1 0.840(8) 3.026(10) 3.841(3) 164.1(13) 8_665
O1 H1W O8 0.840(8) 1.879(13) 2.683(4) 160(3) 8_665
O1 H1 S2 0.826(10) 2.645(13) 3.427(3) 159(3) .
O1 H1 O5 0.826(10) 1.875(14) 2.689(4) 168(4) .
O1 H1 O6 0.826(10) 2.57(2) 3.132(4) 127(3) .

_refine_diff_density_max         0.501
_refine_diff_density_min         -0.460
_refine_diff_density_rms         0.097




####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 2182034'
loop_
_audit_author_name
_audit_author_address
'Ales Ruzicka'
;University of Pardubice
Czech Republic
;
_audit_update_record             
;
2022-06-27 deposited with the CCDC.	2023-02-03 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_RINTA01_4                   
;
PROBLEM: _The value of Rint is greater than 0.18 ...  
RESPONSE: Data are influenced by the quality 
of the crystalline material and the presence
 of dichlormethane solvent reflected in the fact
 crystal has bigger Rint value. Crystals were of poor quality.
;

_audit_creation_method           'APEX3 v2016.5-0'
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H33 Cl N2 O2 P Sn, Cl3 Sn, C H2 Cl2'
_chemical_formula_sum            'C28 H35 Cl6 N2 O2 P Sn2'
_chemical_formula_weight         912.63

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   8.6259(4)
_cell_length_b                   12.4009(5)
_cell_length_c                   17.2050(8)
_cell_angle_alpha                81.057(2)
_cell_angle_beta                 86.640(2)
_cell_angle_gamma                75.835(2)
_cell_volume                     1762.34(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    79250
_cell_measurement_theta_min      1
_cell_measurement_theta_max      25

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_F_000             900
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.038
_exptl_absorpt_coefficient_mu    1.946
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5418
_exptl_absorpt_correction_T_max  0.7470
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_absorpt_special_details   
;
The ratio of minimum to maximum
apparent transmission was 0.725
;
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            54631
_diffrn_reflns_av_unetI/netI     0.0901
_diffrn_reflns_av_R_equivalents  0.2495
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.228
_diffrn_reflns_theta_max         24.994
_diffrn_reflns_theta_full        24.994
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6208
_reflns_number_gt                5317
_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       'Bruker Instrument Service vV6.2.3'
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'
_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)+(0.0725P)²+1.3168P] 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         6208
_refine_ls_number_parameters     376
_refine_ls_number_restraints     318
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0515
_refine_ls_wR_factor_ref         0.1411
_refine_ls_wR_factor_gt          0.1350
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.000
_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 0.37426(4) 0.48463(3) 0.13263(2) 0.01639(13) Uani 1 1 d . U . . .
Cl1 Cl 0.58856(15) 0.56593(11) 0.06582(7) 0.0250(3) Uani 1 1 d . U . . .
P1 P 0.67766(14) 0.26475(10) 0.18518(7) 0.0162(3) Uani 1 1 d . U . . .
O1 O 0.5353(4) 0.3048(3) 0.1340(2) 0.0214(7) Uani 1 1 d . U . . .
N1 N 0.5384(4) 0.4532(3) 0.2436(2) 0.0124(7) Uani 1 1 d . U . . .
C1 C 0.6483(5) 0.3560(4) 0.2604(3) 0.0150(9) Uani 1 1 d . U . . .
Sn2 Sn 0.15535(4) 0.32439(3) 0.43940(2) 0.02474(14) Uani 1 1 d . U . . .
Cl2 Cl 0.23433(16) 0.34042(11) 0.29822(8) 0.0291(3) Uani 1 1 d . U . . .
O2 O 0.7073(4) 0.1412(3) 0.2310(2) 0.0250(8) Uani 1 1 d . U . . .
N2 N 0.3175(4) 0.6446(3) 0.2084(2) 0.0150(8) Uani 1 1 d . U . . .
C2 C 0.7296(6) 0.3273(4) 0.3300(3) 0.0203(10) Uani 1 1 d . U . . .
H2 H 0.8071 0.2580 0.3402 0.024 Uiso 1 1 calc R U . . .
C3 C 0.6966(6) 0.4009(4) 0.3848(3) 0.0202(10) Uani 1 1 d . U . . .
H3 H 0.7483 0.3817 0.4340 0.024 Uiso 1 1 calc R U . . .
Cl3 Cl 0.20916(18) 0.50565(12) 0.45200(8) 0.0341(3) Uani 1 1 d . U . . .
C4 C 0.5874(5) 0.5025(4) 0.3669(3) 0.0175(9) Uani 1 1 d . U . . .
H4 H 0.5657 0.5551 0.4032 0.021 Uiso 1 1 calc R U . . .
Cl4 Cl 0.4228(2) 0.21750(17) 0.48552(11) 0.0628(5) Uani 1 1 d . U . . .
C5 C 0.5098(5) 0.5273(4) 0.2960(3) 0.0139(9) Uani 1 1 d . U . . .
Cl5 Cl 0.8832(2) 0.13539(13) 0.52282(10) 0.0471(4) Uani 1 1 d . U . . .
C6 C 0.5906(7) 0.1048(4) 0.2878(4) 0.0304(12) Uani 1 1 d . U . . .
H6A H 0.5057 0.0857 0.2601 0.036 Uiso 1 1 calc R U . . .
H6B H 0.5402 0.1657 0.3188 0.036 Uiso 1 1 calc R U . . .
Cl6 Cl 0.8297(3) -0.03502(17) 0.65129(13) 0.0738(6) Uani 1 1 d . U . . .
C7 C 0.6766(10) 0.0055(6) 0.3400(5) 0.060(2) Uani 1 1 d . U . . .
H7A H 0.7407 -0.0491 0.3082 0.090 Uiso 1 1 calc R U . . .
H7B H 0.5994 -0.0286 0.3728 0.090 Uiso 1 1 calc R U . . .
H7C H 0.7470 0.0281 0.3738 0.090 Uiso 1 1 calc R U . . .
C8 C 0.8581(6) 0.2661(4) 0.1340(3) 0.0182(10) Uani 1 1 d . U . . .
C9 C 0.8537(8) 0.3006(6) 0.0530(4) 0.0451(16) Uani 1 1 d . U . . .
H9 H 0.7547 0.3206 0.0267 0.054 Uiso 1 1 calc R U . . .
C10 C 0.9947(8) 0.3056(7) 0.0108(4) 0.0561(19) Uani 1 1 d . U . . .
H10 H 0.9916 0.3277 -0.0446 0.067 Uiso 1 1 calc R U . . .
C11 C 1.1359(8) 0.2794(6) 0.0473(4) 0.0450(15) Uani 1 1 d . U . . .
H11 H 1.2308 0.2854 0.0178 0.054 Uiso 1 1 calc R U . . .
C13 C 1.0041(6) 0.2370(5) 0.1707(4) 0.0332(13) Uani 1 1 d . U . . .
H13 H 1.0089 0.2122 0.2258 0.040 Uiso 1 1 calc R U . . .
C14 C 0.3882(5) 0.6346(4) 0.2735(3) 0.0131(9) Uani 1 1 d . U . . .
C15 C 0.3563(6) 0.7206(4) 0.3282(3) 0.0239(11) Uani 1 1 d . U . . .
H15A H 0.4570 0.7379 0.3393 0.036 Uiso 1 1 calc R U . . .
H15B H 0.3084 0.6910 0.3775 0.036 Uiso 1 1 calc R U . . .
H15C H 0.2824 0.7892 0.3038 0.036 Uiso 1 1 calc R U . . .
C16 C 0.1912(6) 0.7420(4) 0.1819(3) 0.0188(10) Uani 1 1 d . U . . .
C17 C 0.2293(6) 0.8344(4) 0.1350(3) 0.0223(10) Uani 1 1 d . U . . .
C18 C 0.1029(7) 0.9244(5) 0.1066(3) 0.0340(13) Uani 1 1 d . U . . .
H18 H 0.1260 0.9885 0.0746 0.041 Uiso 1 1 calc R U . . .
C19 C -0.0541(7) 0.9215(5) 0.1241(4) 0.0375(14) Uani 1 1 d . U . . .
H19 H -0.1384 0.9828 0.1041 0.045 Uiso 1 1 calc R U . . .
C20 C -0.0880(7) 0.8284(5) 0.1712(4) 0.0338(13) Uani 1 1 d . U . . .
H20 H -0.1965 0.8269 0.1832 0.041 Uiso 1 1 calc R U . . .
C21 C 0.0325(6) 0.7370(5) 0.2013(3) 0.0254(11) Uani 1 1 d . U . . .
C22 C 0.4003(6) 0.8446(4) 0.1155(3) 0.0243(11) Uani 1 1 d . U . . .
H22 H 0.4743 0.7716 0.1365 0.029 Uiso 1 1 calc R U . . .
C23 C 0.4303(7) 0.8670(5) 0.0266(3) 0.0344(13) Uani 1 1 d . U . . .
H23A H 0.4008 0.8093 0.0015 0.052 Uiso 1 1 calc R U . . .
H23B H 0.5438 0.8648 0.0159 0.052 Uiso 1 1 calc R U . . .
H23C H 0.3655 0.9412 0.0054 0.052 Uiso 1 1 calc R U . . .
C24 C 0.4374(7) 0.9375(5) 0.1561(4) 0.0355(13) Uani 1 1 d . U . . .
H24A H 0.5489 0.9409 0.1450 0.053 Uiso 1 1 calc R U . . .
H24B H 0.4203 0.9206 0.2131 0.053 Uiso 1 1 calc R U . . .
H24C H 0.3665 1.0100 0.1362 0.053 Uiso 1 1 calc R U . . .
C25 C -0.0096(6) 0.6379(5) 0.2539(3) 0.0258(11) Uani 1 1 d . U . . .
H25 H 0.0923 0.5851 0.2736 0.031 Uiso 1 1 calc R U . . .
C26 C -0.0979(7) 0.5738(6) 0.2098(4) 0.0388(14) Uani 1 1 d . U . . .
H26A H -0.0289 0.5435 0.1670 0.058 Uiso 1 1 calc R U . . .
H26B H -0.1959 0.6249 0.1878 0.058 Uiso 1 1 calc R U . . .
H26C H -0.1254 0.5119 0.2462 0.058 Uiso 1 1 calc R U . . .
C27 C -0.1108(7) 0.6764(5) 0.3254(3) 0.0348(13) Uani 1 1 d . U . . .
H27A H -0.0555 0.7195 0.3526 0.052 Uiso 1 1 calc R U . . .
H27B H -0.1268 0.6105 0.3616 0.052 Uiso 1 1 calc R U . . .
H27C H -0.2148 0.7238 0.3078 0.052 Uiso 1 1 calc R U . . .
C28 C 0.7753(8) 0.0339(6) 0.5580(5) 0.0493(17) Uani 1 1 d . U . . .
H28A H 0.6598 0.0709 0.5589 0.059 Uiso 1 1 calc R U . . .
H28B H 0.7924 -0.0221 0.5212 0.059 Uiso 1 1 calc R U . . .
C12 C 1.1434(7) 0.2437(5) 0.1278(4) 0.0370(13) Uani 1 1 d . U . . .
H12 H 1.2433 0.2240 0.1534 0.044 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 O1 2.318(3) . ?
Sn1 N1 2.371(3) . ?
Sn1 Cl1 2.4613(12) . ?
Sn1 N2 2.475(4) . ?
P1 O1 1.490(3) . ?
P1 O2 1.578(4) . ?
P1 C8 1.745(5) . ?
P1 C1 1.816(5) . ?
N1 C1 1.341(6) . ?
N1 C5 1.355(6) . ?
C1 C2 1.377(7) . ?
Sn2 Cl3 2.4472(14) . ?
Sn2 Cl4 2.4697(17) . ?
Sn2 Cl2 2.4751(14) . ?
O2 C6 1.464(6) . ?
N2 C14 1.281(6) . ?
N2 C16 1.448(6) . ?
C2 C3 1.382(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.379(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.382(6) . ?
C4 H4 0.9500 . ?
C5 C14 1.492(6) . ?
Cl5 C28 1.757(7) . ?
C6 C7 1.470(9) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
Cl6 C28 1.730(7) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C13 1.384(7) . ?
C8 C9 1.393(8) . ?
C9 C10 1.389(9) . ?
C9 H9 0.9500 . ?
C10 C11 1.347(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.388(10) . ?
C11 H11 0.9500 . ?
C13 C12 1.386(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.497(6) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.392(7) . ?
C16 C21 1.403(7) . ?
C17 C18 1.404(7) . ?
C17 C22 1.524(7) . ?
C18 C19 1.378(8) . ?
C18 H18 0.9500 . ?
C19 C20 1.386(8) . ?
C19 H19 0.9500 . ?
C20 C21 1.392(7) . ?
C20 H20 0.9500 . ?
C21 C25 1.515(7) . ?
C22 C23 1.529(8) . ?
C22 C24 1.542(7) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.530(8) . ?
C25 C27 1.535(8) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C12 H12 0.9500 . ?

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
O1 Sn1 N1 74.49(12) . . ?
O1 Sn1 Cl1 90.62(9) . . ?
N1 Sn1 Cl1 83.27(9) . . ?
O1 Sn1 N2 141.16(11) . . ?
N1 Sn1 N2 66.70(12) . . ?
Cl1 Sn1 N2 86.27(9) . . ?
O1 P1 O2 117.3(2) . . ?
O1 P1 C8 113.3(2) . . ?
O2 P1 C8 103.3(2) . . ?
O1 P1 C1 106.58(19) . . ?
O2 P1 C1 105.7(2) . . ?
C8 P1 C1 110.4(2) . . ?
P1 O1 Sn1 120.66(18) . . ?
C1 N1 C5 118.8(4) . . ?
C1 N1 Sn1 120.4(3) . . ?
C5 N1 Sn1 120.3(3) . . ?
N1 C1 C2 122.3(4) . . ?
N1 C1 P1 114.7(3) . . ?
C2 C1 P1 122.9(4) . . ?
Cl3 Sn2 Cl4 93.18(7) . . ?
Cl3 Sn2 Cl2 92.51(5) . . ?
Cl4 Sn2 Cl2 94.69(6) . . ?
C6 O2 P1 122.3(3) . . ?
C14 N2 C16 121.9(4) . . ?
C14 N2 Sn1 119.5(3) . . ?
C16 N2 Sn1 118.2(3) . . ?
C1 C2 C3 119.0(4) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 H2 120.5 . . ?
C4 C3 C2 119.0(4) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C3 C4 C5 119.6(4) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
N1 C5 C4 121.2(4) . . ?
N1 C5 C14 116.3(4) . . ?
C4 C5 C14 122.5(4) . . ?
O2 C6 C7 107.5(5) . . ?
O2 C6 H6A 110.2 . . ?
C7 C6 H6A 110.2 . . ?
O2 C6 H6B 110.2 . . ?
C7 C6 H6B 110.2 . . ?
H6A C6 H6B 108.5 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C13 C8 C9 118.9(5) . . ?
C13 C8 P1 122.8(4) . . ?
C9 C8 P1 118.3(4) . . ?
C10 C9 C8 119.7(6) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C11 C10 C9 120.9(6) . . ?
C11 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
C10 C11 C12 120.3(6) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C8 C13 C12 120.6(6) . . ?
C8 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
N2 C14 C5 116.5(4) . . ?
N2 C14 C15 125.2(4) . . ?
C5 C14 C15 118.3(4) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 122.2(4) . . ?
C17 C16 N2 119.6(4) . . ?
C21 C16 N2 118.1(4) . . ?
C16 C17 C18 117.9(5) . . ?
C16 C17 C22 123.5(4) . . ?
C18 C17 C22 118.6(5) . . ?
C19 C18 C17 121.2(5) . . ?
C19 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C18 C19 C20 119.5(5) . . ?
C18 C19 H19 120.3 . . ?
C20 C19 H19 120.3 . . ?
C19 C20 C21 121.8(5) . . ?
C19 C20 H20 119.1 . . ?
C21 C20 H20 119.1 . . ?
C20 C21 C16 117.5(5) . . ?
C20 C21 C25 120.1(5) . . ?
C16 C21 C25 122.5(4) . . ?
C17 C22 C23 111.6(4) . . ?
C17 C22 C24 110.3(4) . . ?
C23 C22 C24 110.7(5) . . ?
C17 C22 H22 108.0 . . ?
C23 C22 H22 108.0 . . ?
C24 C22 H22 108.0 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 C26 112.1(5) . . ?
C21 C25 C27 110.8(5) . . ?
C26 C25 C27 109.7(5) . . ?
C21 C25 H25 108.0 . . ?
C26 C25 H25 108.0 . . ?
C27 C25 H25 108.0 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Cl6 C28 Cl5 113.1(4) . . ?
Cl6 C28 H28A 108.9 . . ?
Cl5 C28 H28A 108.9 . . ?
Cl6 C28 H28B 108.9 . . ?
Cl5 C28 H28B 108.9 . . ?
H28A C28 H28B 107.8 . . ?
C13 C12 C11 119.5(6) . . ?
C13 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?

_refine_diff_density_max         1.975
_refine_diff_density_min         -2.338
_refine_diff_density_rms         0.180



####################################################################### 
# 
# 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_10
_database_code_depnum_ccdc_archive 'CCDC 2182036'
loop_
_audit_author_name
_audit_author_address
'Ales Ruzicka'
;University of Pardubice
Czech Republic
;
_audit_update_record             
;
2022-06-27 deposited with the CCDC.	2023-02-03 downloaded from the CCDC.
;

_audit_creation_method           'APEX3 v2016.5-0'
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C24 H26 Cl3 N2 O2 P Sn2), C7 H8'
_chemical_formula_sum            'C55 H60 Cl6 N4 O4 P2 Sn4'
_chemical_formula_weight         1590.47

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   13.2768(4)
_cell_length_b                   15.5938(6)
_cell_length_c                   15.9485(6)
_cell_angle_alpha                85.119(2)
_cell_angle_beta                 79.7410(10)
_cell_angle_gamma                77.5250(10)
_cell_volume                     3168.7(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    112517
_cell_measurement_theta_min      1
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_F_000             1564
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.386
_exptl_crystal_size_mid          0.258
_exptl_crystal_size_min          0.164
_exptl_absorpt_coefficient_mu    1.907
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5046
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_absorpt_special_details   
;
The ratio of minimum to maximum
apparent transmission was 0.677
;
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            112517
_diffrn_reflns_av_unetI/netI     0.0313
_diffrn_reflns_av_R_equivalents  0.0593
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.281
_diffrn_reflns_theta_max         27.588
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             14671
_reflns_number_gt                12036
_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       'Bruker Instrument Service vV6.2.3'
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'
_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)+(0.0157P)²+2.5772P] 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         14671
_refine_ls_number_parameters     685
_refine_ls_number_restraints     627
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0264
_refine_ls_wR_factor_ref         0.0508
_refine_ls_wR_factor_gt          0.0467
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.040
_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 0.58181(2) 0.60127(2) 0.27683(2) 0.01804(4) Uani 1 1 d . U . . .
Cl1 Cl 0.59973(5) 0.47062(5) 0.37499(4) 0.03136(15) Uani 1 1 d . U . . .
P1 P 0.33125(4) 0.59721(4) 0.28517(4) 0.01528(12) Uani 1 1 d . U . . .
O1 O 0.41032(12) 0.62891(11) 0.32522(10) 0.0184(3) Uani 1 1 d . U . . .
N1 N 0.51180(14) 0.51775(12) 0.19360(12) 0.0143(4) Uani 1 1 d . U . . .
C1 C 0.40843(17) 0.52156(15) 0.20547(14) 0.0148(5) Uani 1 1 d . U . . .
Sn2 Sn 0.26912(2) 0.76976(2) 0.14620(2) 0.01886(4) Uani 1 1 d . U . . .
Cl2 Cl 0.45992(5) 0.71322(4) 0.09932(4) 0.02415(13) Uani 1 1 d . U . . .
P2 P 0.29364(5) 0.89168(4) 0.34352(4) 0.01830(13) Uani 1 1 d . U . . .
O2 O 0.25524(12) 0.66583(11) 0.24186(11) 0.0222(4) Uani 1 1 d . U . . .
N2 N 0.71762(15) 0.51529(13) 0.16701(14) 0.0202(4) Uani 1 1 d . U . . .
C2 C 0.36438(19) 0.47385(16) 0.15728(16) 0.0208(5) Uani 1 1 d . U . . .
H2 H 0.2909 0.4774 0.1667 0.025 Uiso 1 1 calc R U . . .
Sn3 Sn 0.53395(2) 0.84967(2) 0.22981(2) 0.01883(4) Uani 1 1 d . U . . .
Cl3 Cl 0.21578(5) 0.67695(4) 0.04837(4) 0.02515(13) Uani 1 1 d . U . . .
O3 O 0.36298(12) 0.84567(11) 0.26803(11) 0.0207(4) Uani 1 1 d . U . . .
N3 N 0.46657(14) 0.95913(12) 0.33090(12) 0.0156(4) Uani 1 1 d . U . . .
C3 C 0.42859(19) 0.42122(18) 0.09549(17) 0.0242(6) Uani 1 1 d . U . . .
H3 H 0.4001 0.3873 0.0626 0.029 Uiso 1 1 calc R U . . .
Sn4 Sn 0.33152(2) 0.72325(2) 0.49571(2) 0.02062(4) Uani 1 1 d . U . . .
Cl4 Cl 0.48578(6) 0.96290(5) 0.12196(4) 0.03336(16) Uani 1 1 d . U . . .
O4 O 0.26163(13) 0.83541(12) 0.42119(12) 0.0279(4) Uani 1 1 d . U . . .
N4 N 0.66999(15) 0.93777(13) 0.25442(13) 0.0180(4) Uani 1 1 d . U . . .
C4 C 0.53509(19) 0.41855(17) 0.08217(16) 0.0217(5) Uani 1 1 d . U . . .
H4 H 0.5806 0.3837 0.0393 0.026 Uiso 1 1 calc R U . . .
C5 C 0.57412(17) 0.46751(15) 0.13242(15) 0.0170(5) Uani 1 1 d . U . . .
Cl5 Cl 0.50908(5) 0.75801(4) 0.44802(4) 0.02734(14) Uani 1 1 d . U . . .
C6 C 0.68586(18) 0.47012(16) 0.11893(16) 0.0213(5) Uani 1 1 d . U . . .
H6 H 0.7334 0.4384 0.0749 0.026 Uiso 1 1 calc R U . . .
Cl6 Cl 0.28091(5) 0.82061(5) 0.61882(5) 0.03530(17) Uani 1 1 d . U . . .
C7 C 0.82460(18) 0.52434(16) 0.15585(17) 0.0219(5) Uani 1 1 d . U . . .
C8 C 0.89311(19) 0.46464(17) 0.20125(18) 0.0250(6) Uani 1 1 d . U . . .
C9 C 0.9933(2) 0.48028(18) 0.1961(2) 0.0308(6) Uani 1 1 d . U . . .
H9 H 1.0416 0.4415 0.2263 0.037 Uiso 1 1 calc R U . . .
C11 C 0.9555(2) 0.60769(18) 0.10310(19) 0.0310(6) Uani 1 1 d . U . . .
H11 H 0.9781 0.6554 0.0694 0.037 Uiso 1 1 calc R U . . .
C10 C 1.0241(2) 0.55081(19) 0.1481(2) 0.0337(7) Uani 1 1 d . U . . .
H10 H 1.0929 0.5603 0.1460 0.040 Uiso 1 1 calc R U . . .
C12 C 0.85357(19) 0.59619(17) 0.10637(18) 0.0266(6) Uani 1 1 d . U . . .
C14 C 0.8999(3) 0.3048(2) 0.1933(2) 0.0477(8) Uani 1 1 d . U . . .
H14A H 0.8728 0.3179 0.1393 0.072 Uiso 1 1 calc R U . . .
H14B H 0.8753 0.2537 0.2230 0.072 Uiso 1 1 calc R U . . .
H14C H 0.9765 0.2920 0.1817 0.072 Uiso 1 1 calc R U . . .
C13 C 0.8611(2) 0.38393(18) 0.24890(19) 0.0305(6) Uani 1 1 d . U . . .
H13 H 0.7830 0.3952 0.2595 0.037 Uiso 1 1 calc R U . . .
C15 C 0.8973(2) 0.3641(2) 0.3354(2) 0.0418(8) Uani 1 1 d . U . . .
H15A H 0.9739 0.3514 0.3272 0.063 Uiso 1 1 calc R U . . .
H15B H 0.8714 0.3131 0.3640 0.063 Uiso 1 1 calc R U . . .
H15C H 0.8699 0.4152 0.3707 0.063 Uiso 1 1 calc R U . . .
C16 C 0.7793(2) 0.65760(18) 0.05452(18) 0.0288(6) Uani 1 1 d . U . . .
H16 H 0.7066 0.6503 0.0787 0.035 Uiso 1 1 calc R U . . .
C19 C 0.25676(18) 0.53534(16) 0.36153(15) 0.0181(5) Uani 1 1 d . U . . .
C18 C 0.7823(3) 0.7544(2) 0.0583(2) 0.0485(9) Uani 1 1 d . U . . .
H18A H 0.8497 0.7652 0.0278 0.073 Uiso 1 1 calc R U . . .
H18B H 0.7737 0.7693 0.1180 0.073 Uiso 1 1 calc R U . . .
H18C H 0.7256 0.7909 0.0316 0.073 Uiso 1 1 calc R U . . .
C17 C 0.8023(2) 0.6308(2) -0.0372(2) 0.0457(8) Uani 1 1 d . U . . .
H17A H 0.7555 0.6713 -0.0706 0.069 Uiso 1 1 calc R U . . .
H17B H 0.7911 0.5709 -0.0390 0.069 Uiso 1 1 calc R U . . .
H17C H 0.8751 0.6327 -0.0612 0.069 Uiso 1 1 calc R U . . .
C20 C 0.15730(19) 0.52780(18) 0.35089(17) 0.0258(6) Uani 1 1 d . U . . .
H20 H 0.1274 0.5575 0.3039 0.031 Uiso 1 1 calc R U . . .
C21 C 0.1022(2) 0.4768(2) 0.40910(19) 0.0337(7) Uani 1 1 d . U . . .
H21 H 0.0346 0.4710 0.4018 0.040 Uiso 1 1 calc R U . . .
C22 C 0.1456(2) 0.4343(2) 0.47787(19) 0.0357(7) Uani 1 1 d . U . . .
H22 H 0.1077 0.3992 0.5177 0.043 Uiso 1 1 calc R U . . .
C23 C 0.2439(2) 0.4425(2) 0.48899(19) 0.0343(7) Uani 1 1 d . U . . .
H23 H 0.2728 0.4137 0.5368 0.041 Uiso 1 1 calc R U . . .
C24 C 0.30035(19) 0.49243(17) 0.43099(16) 0.0230(5) Uani 1 1 d . U . . .
H24 H 0.3683 0.4975 0.4383 0.028 Uiso 1 1 calc R U . . .
C25 C 0.36765(18) 0.96764(16) 0.37225(15) 0.0177(5) Uani 1 1 d . U . . .
C26 C 0.3253(2) 1.03094(18) 0.43131(17) 0.0266(6) Uani 1 1 d . U . . .
H26 H 0.2555 1.0353 0.4603 0.032 Uiso 1 1 calc R U . . .
C27 C 0.3851(2) 1.08793(19) 0.44809(18) 0.0286(6) Uani 1 1 d . U . . .
H27 H 0.3568 1.1323 0.4880 0.034 Uiso 1 1 calc R U . . .
C28 C 0.48713(19) 1.07903(17) 0.40547(17) 0.0240(6) Uani 1 1 d . U . . .
H28 H 0.5299 1.1173 0.4157 0.029 Uiso 1 1 calc R U . . .
C29 C 0.52565(18) 1.01391(15) 0.34803(15) 0.0165(5) Uani 1 1 d . U . . .
C30 C 0.63459(18) 0.99977(16) 0.30418(16) 0.0191(5) Uani 1 1 d . U . . .
H30 H 0.6785 1.0376 0.3134 0.023 Uiso 1 1 calc R U . . .
C31 C 0.77668(17) 0.92087(16) 0.21216(15) 0.0180(5) Uani 1 1 d . U . . .
C32 C 0.84700(19) 0.85067(18) 0.24412(18) 0.0276(6) Uani 1 1 d . U . . .
C33 C 0.9481(2) 0.8293(2) 0.1990(2) 0.0362(7) Uani 1 1 d . U . . .
H33 H 0.9973 0.7825 0.2200 0.043 Uiso 1 1 calc R U . . .
C34 C 0.9778(2) 0.8753(2) 0.1240(2) 0.0364(7) Uani 1 1 d . U . . .
H34 H 1.0468 0.8596 0.0932 0.044 Uiso 1 1 calc R U . . .
C35 C 0.9076(2) 0.94368(19) 0.09401(18) 0.0298(6) Uani 1 1 d . U . . .
H35 H 0.9290 0.9752 0.0426 0.036 Uiso 1 1 calc R U . . .
C36 C 0.80567(18) 0.96827(16) 0.13678(16) 0.0212(5) Uani 1 1 d . U . . .
C37 C 0.8143(2) 0.7984(2) 0.3257(2) 0.0385(7) Uani 1 1 d . U . . .
H37 H 0.7366 0.8161 0.3413 0.046 Uiso 1 1 calc R U . . .
C38 C 0.8406(4) 0.7003(3) 0.3138(2) 0.0737(13) Uani 1 1 d . U . . .
H38A H 0.8144 0.6880 0.2633 0.110 Uiso 1 1 calc R U . . .
H38B H 0.8079 0.6699 0.3642 0.110 Uiso 1 1 calc R U . . .
H38C H 0.9167 0.6794 0.3061 0.110 Uiso 1 1 calc R U . . .
C39 C 0.8610(4) 0.8193(3) 0.3983(2) 0.0649(11) Uani 1 1 d . U . . .
H39A H 0.9374 0.8021 0.3852 0.097 Uiso 1 1 calc R U . . .
H39B H 0.8354 0.7869 0.4503 0.097 Uiso 1 1 calc R U . . .
H39C H 0.8408 0.8826 0.4069 0.097 Uiso 1 1 calc R U . . .
C40 C 0.7311(2) 1.04468(18) 0.10145(18) 0.0290(6) Uani 1 1 d . U . . .
H40 H 0.6601 1.0468 0.1362 0.035 Uiso 1 1 calc R U . . .
C41 C 0.7234(3) 1.0335(2) 0.0091(2) 0.0451(8) Uani 1 1 d . U . . .
H41A H 0.6674 1.0795 -0.0088 0.068 Uiso 1 1 calc R U . . .
H41B H 0.7079 0.9756 0.0039 0.068 Uiso 1 1 calc R U . . .
H41C H 0.7899 1.0380 -0.0274 0.068 Uiso 1 1 calc R U . . .
C42 C 0.7636(3) 1.13156(19) 0.1110(2) 0.0444(8) Uani 1 1 d . U . . .
H42A H 0.8342 1.1303 0.0792 0.067 Uiso 1 1 calc R U . . .
H42B H 0.7630 1.1393 0.1714 0.067 Uiso 1 1 calc R U . . .
H42C H 0.7145 1.1805 0.0885 0.067 Uiso 1 1 calc R U . . .
C43 C 0.17698(19) 0.95810(17) 0.31326(18) 0.0240(6) Uani 1 1 d . U . . .
C44 C 0.1800(2) 0.99936(18) 0.23232(19) 0.0327(6) Uani 1 1 d . U . . .
H44 H 0.2438 0.9924 0.1931 0.039 Uiso 1 1 calc R U . . .
C45 C 0.0889(3) 1.0508(2) 0.2093(2) 0.0472(8) Uani 1 1 d . U . . .
H45 H 0.0900 1.0786 0.1539 0.057 Uiso 1 1 calc R U . . .
C46 C -0.0029(3) 1.0617(2) 0.2666(3) 0.0525(9) Uani 1 1 d . U . . .
H46 H -0.0649 1.0968 0.2503 0.063 Uiso 1 1 calc R U . . .
C47 C -0.0060(2) 1.0226(2) 0.3466(3) 0.0532(9) Uani 1 1 d . U . . .
H47 H -0.0697 1.0316 0.3859 0.064 Uiso 1 1 calc R U . . .
C48 C 0.0834(2) 0.9697(2) 0.3709(2) 0.0392(7) Uani 1 1 d . U . . .
H48 H 0.0809 0.9417 0.4263 0.047 Uiso 1 1 calc R U . . .
C49 C 0.3061(3) 0.2383(2) 0.2720(3) 0.0571(10) Uani 1 1 d . U . . .
C50 C 0.3717(3) 0.1944(2) 0.2038(3) 0.0654(11) Uani 1 1 d . U . . .
H50 H 0.3443 0.1608 0.1698 0.078 Uiso 1 1 calc R U . . .
C51 C 0.4745(3) 0.1991(3) 0.1854(3) 0.0628(10) Uani 1 1 d . U . . .
H51 H 0.5181 0.1695 0.1382 0.075 Uiso 1 1 calc R U . . .
C52 C 0.5162(3) 0.2472(2) 0.2353(3) 0.0596(10) Uani 1 1 d . U . . .
H52 H 0.5884 0.2493 0.2229 0.072 Uiso 1 1 calc R U . . .
C53 C 0.4534(3) 0.2911(2) 0.3019(3) 0.0536(9) Uani 1 1 d . U . . .
H53 H 0.4811 0.3244 0.3360 0.064 Uiso 1 1 calc R U . . .
C54 C 0.3480(3) 0.2867(2) 0.3193(3) 0.0532(9) Uani 1 1 d . U . . .
H54 H 0.3040 0.3180 0.3653 0.064 Uiso 1 1 calc R U . . .
C55 C 0.1940(3) 0.2322(3) 0.2937(4) 0.0979(18) Uani 1 1 d . U . . .
H55A H 0.1604 0.2489 0.2431 0.147 Uiso 1 1 calc R U . . .
H55B H 0.1589 0.2719 0.3393 0.147 Uiso 1 1 calc R U . . .
H55C H 0.1888 0.1716 0.3130 0.147 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 O1 2.2298(16) . ?
Sn1 N1 2.3619(19) . ?
Sn1 Cl1 2.4573(7) . ?
Sn1 N2 2.519(2) . ?
P1 O1 1.5070(16) . ?
P1 O2 1.5154(17) . ?
P1 C19 1.782(2) . ?
P1 C1 1.824(2) . ?
N1 C1 1.341(3) . ?
N1 C5 1.347(3) . ?
C1 C2 1.390(3) . ?
Sn2 O2 2.1439(17) . ?
Sn2 Cl2 2.4952(6) . ?
Sn2 Cl3 2.5003(6) . ?
P2 O4 1.5078(18) . ?
P2 O3 1.5095(18) . ?
P2 C43 1.787(2) . ?
P2 C25 1.826(2) . ?
N2 C6 1.264(3) . ?
N2 C7 1.436(3) . ?
C2 C3 1.381(4) . ?
C2 H2 0.9500 . ?
Sn3 O3 2.2560(16) . ?
Sn3 N3 2.368(2) . ?
Sn3 Cl4 2.4232(7) . ?
Sn3 N4 2.5923(19) . ?
N3 C25 1.345(3) . ?
N3 C29 1.351(3) . ?
C3 C4 1.384(3) . ?
C3 H3 0.9500 . ?
Sn4 O4 2.1611(17) . ?
Sn4 Cl6 2.4915(7) . ?
Sn4 Cl5 2.5046(6) . ?
N4 C30 1.260(3) . ?
N4 C31 1.435(3) . ?
C4 C5 1.384(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.470(3) . ?
C6 H6 0.9500 . ?
C7 C12 1.398(4) . ?
C7 C8 1.404(4) . ?
C8 C9 1.390(3) . ?
C8 C13 1.515(4) . ?
C9 C10 1.380(4) . ?
C9 H9 0.9500 . ?
C11 C10 1.381(4) . ?
C11 C12 1.395(3) . ?
C11 H11 0.9500 . ?
C10 H10 0.9500 . ?
C12 C16 1.524(4) . ?
C14 C13 1.524(4) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C13 C15 1.527(4) . ?
C13 H13 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.515(4) . ?
C16 C18 1.525(4) . ?
C16 H16 1.0000 . ?
C19 C20 1.392(3) . ?
C19 C24 1.395(3) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C20 C21 1.383(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.382(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.382(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.380(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.381(4) . ?
C26 C27 1.382(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.387(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.378(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.469(3) . ?
C30 H30 0.9500 . ?
C31 C36 1.395(3) . ?
C31 C32 1.401(3) . ?
C32 C33 1.390(4) . ?
C32 C37 1.522(4) . ?
C33 C34 1.383(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.370(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.391(3) . ?
C35 H35 0.9500 . ?
C36 C40 1.514(3) . ?
C37 C39 1.496(5) . ?
C37 C38 1.515(5) . ?
C37 H37 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.522(4) . ?
C40 C42 1.535(4) . ?
C40 H40 1.0000 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.390(4) . ?
C43 C48 1.395(4) . ?
C44 C45 1.389(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.374(5) . ?
C45 H45 0.9500 . ?
C46 C47 1.364(5) . ?
C46 H46 0.9500 . ?
C47 C48 1.387(4) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C54 1.370(5) . ?
C49 C50 1.393(5) . ?
C49 C55 1.489(5) . ?
C50 C51 1.361(6) . ?
C50 H50 0.9500 . ?
C51 C52 1.393(5) . ?
C51 H51 0.9500 . ?
C52 C53 1.362(5) . ?
C52 H52 0.9500 . ?
C53 C54 1.393(5) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?

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
O1 Sn1 N1 75.02(6) . . ?
O1 Sn1 Cl1 88.60(5) . . ?
N1 Sn1 Cl1 85.68(5) . . ?
O1 Sn1 N2 141.59(6) . . ?
N1 Sn1 N2 66.57(6) . . ?
Cl1 Sn1 N2 88.98(5) . . ?
O1 P1 O2 117.41(10) . . ?
O1 P1 C19 110.66(10) . . ?
O2 P1 C19 107.76(10) . . ?
O1 P1 C1 105.10(10) . . ?
O2 P1 C1 108.31(10) . . ?
C19 P1 C1 107.12(11) . . ?
P1 O1 Sn1 124.19(9) . . ?
C1 N1 C5 119.0(2) . . ?
C1 N1 Sn1 120.07(15) . . ?
C5 N1 Sn1 120.91(14) . . ?
N1 C1 C2 121.7(2) . . ?
N1 C1 P1 115.03(17) . . ?
C2 C1 P1 123.24(18) . . ?
O2 Sn2 Cl2 93.52(5) . . ?
O2 Sn2 Cl3 86.92(5) . . ?
Cl2 Sn2 Cl3 93.76(2) . . ?
O4 P2 O3 117.57(11) . . ?
O4 P2 C43 107.49(11) . . ?
O3 P2 C43 110.98(11) . . ?
O4 P2 C25 109.34(11) . . ?
O3 P2 C25 104.68(10) . . ?
C43 P2 C25 106.22(11) . . ?
P1 O2 Sn2 135.29(10) . . ?
C6 N2 C7 122.3(2) . . ?
C6 N2 Sn1 117.14(16) . . ?
C7 N2 Sn1 120.32(15) . . ?
C3 C2 C1 119.3(2) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
O3 Sn3 N3 74.66(6) . . ?
O3 Sn3 Cl4 88.30(5) . . ?
N3 Sn3 Cl4 86.82(5) . . ?
O3 Sn3 N4 140.89(6) . . ?
N3 Sn3 N4 66.34(6) . . ?
Cl4 Sn3 N4 86.77(5) . . ?
P2 O3 Sn3 123.58(9) . . ?
C25 N3 C29 118.9(2) . . ?
C25 N3 Sn3 119.87(15) . . ?
C29 N3 Sn3 121.25(15) . . ?
C2 C3 C4 119.1(2) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
O4 Sn4 Cl6 86.34(6) . . ?
O4 Sn4 Cl5 91.00(5) . . ?
Cl6 Sn4 Cl5 96.00(2) . . ?
P2 O4 Sn4 138.45(11) . . ?
C30 N4 C31 121.7(2) . . ?
C30 N4 Sn3 114.92(15) . . ?
C31 N4 Sn3 123.33(15) . . ?
C3 C4 C5 118.9(2) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
N1 C5 C4 122.1(2) . . ?
N1 C5 C6 116.5(2) . . ?
C4 C5 C6 121.3(2) . . ?
N2 C6 C5 118.8(2) . . ?
N2 C6 H6 120.6 . . ?
C5 C6 H6 120.6 . . ?
C12 C7 C8 123.0(2) . . ?
C12 C7 N2 118.7(2) . . ?
C8 C7 N2 118.1(2) . . ?
C9 C8 C7 116.9(2) . . ?
C9 C8 C13 121.7(2) . . ?
C7 C8 C13 121.3(2) . . ?
C10 C9 C8 121.6(3) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C10 C11 C12 121.0(3) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C9 C10 C11 120.3(2) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
C11 C12 C7 117.3(2) . . ?
C11 C12 C16 120.7(2) . . ?
C7 C12 C16 121.9(2) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C8 C13 C14 109.9(2) . . ?
C8 C13 C15 113.6(2) . . ?
C14 C13 C15 110.9(2) . . ?
C8 C13 H13 107.4 . . ?
C14 C13 H13 107.4 . . ?
C15 C13 H13 107.4 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C12 109.8(2) . . ?
C17 C16 C18 110.5(3) . . ?
C12 C16 C18 113.4(2) . . ?
C17 C16 H16 107.6 . . ?
C12 C16 H16 107.6 . . ?
C18 C16 H16 107.6 . . ?
C20 C19 C24 120.2(2) . . ?
C20 C19 P1 120.49(19) . . ?
C24 C19 P1 119.26(18) . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C21 C20 C19 119.7(2) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C22 C21 C20 120.0(2) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C23 C22 C21 120.3(3) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C24 C23 C22 120.4(3) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C19 119.4(2) . . ?
C23 C24 H24 120.3 . . ?
C19 C24 H24 120.3 . . ?
N3 C25 C26 121.6(2) . . ?
N3 C25 P2 115.56(18) . . ?
C26 C25 P2 122.83(18) . . ?
C25 C26 C27 119.7(2) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 H26 120.2 . . ?
C26 C27 C28 118.7(2) . . ?
C26 C27 H27 120.7 . . ?
C28 C27 H27 120.7 . . ?
C29 C28 C27 119.1(2) . . ?
C29 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
N3 C29 C28 122.0(2) . . ?
N3 C29 C30 117.0(2) . . ?
C28 C29 C30 120.9(2) . . ?
N4 C30 C29 120.3(2) . . ?
N4 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C36 C31 C32 121.6(2) . . ?
C36 C31 N4 120.0(2) . . ?
C32 C31 N4 118.1(2) . . ?
C33 C32 C31 118.2(2) . . ?
C33 C32 C37 120.4(2) . . ?
C31 C32 C37 121.3(2) . . ?
C34 C33 C32 120.8(3) . . ?
C34 C33 H33 119.6 . . ?
C32 C33 H33 119.6 . . ?
C35 C34 C33 119.8(3) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C34 C35 C36 121.8(2) . . ?
C34 C35 H35 119.1 . . ?
C36 C35 H35 119.1 . . ?
C35 C36 C31 117.7(2) . . ?
C35 C36 C40 119.8(2) . . ?
C31 C36 C40 122.5(2) . . ?
C39 C37 C38 110.4(3) . . ?
C39 C37 C32 111.7(3) . . ?
C38 C37 C32 112.1(3) . . ?
C39 C37 H37 107.5 . . ?
C38 C37 H37 107.5 . . ?
C32 C37 H37 107.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C36 C40 C41 112.0(3) . . ?
C36 C40 C42 110.2(2) . . ?
C41 C40 C42 111.1(2) . . ?
C36 C40 H40 107.8 . . ?
C41 C40 H40 107.8 . . ?
C42 C40 H40 107.8 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 C48 120.0(3) . . ?
C44 C43 P2 119.8(2) . . ?
C48 C43 P2 120.3(2) . . ?
C45 C44 C43 119.4(3) . . ?
C45 C44 H44 120.3 . . ?
C43 C44 H44 120.3 . . ?
C46 C45 C44 120.1(3) . . ?
C46 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
C47 C46 C45 120.8(3) . . ?
C47 C46 H46 119.6 . . ?
C45 C46 H46 119.6 . . ?
C46 C47 C48 120.3(3) . . ?
C46 C47 H47 119.8 . . ?
C48 C47 H47 119.8 . . ?
C47 C48 C43 119.4(3) . . ?
C47 C48 H48 120.3 . . ?
C43 C48 H48 120.3 . . ?
C54 C49 C50 118.1(4) . . ?
C54 C49 C55 120.8(4) . . ?
C50 C49 C55 121.2(4) . . ?
C51 C50 C49 120.8(4) . . ?
C51 C50 H50 119.6 . . ?
C49 C50 H50 119.6 . . ?
C50 C51 C52 120.3(4) . . ?
C50 C51 H51 119.8 . . ?
C52 C51 H51 119.8 . . ?
C53 C52 C51 119.9(4) . . ?
C53 C52 H52 120.1 . . ?
C51 C52 H52 120.1 . . ?
C52 C53 C54 119.2(4) . . ?
C52 C53 H53 120.4 . . ?
C54 C53 H53 120.4 . . ?
C49 C54 C53 121.7(4) . . ?
C49 C54 H54 119.1 . . ?
C53 C54 H54 119.1 . . ?
C49 C55 H55A 109.5 . . ?
C49 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C49 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?

_refine_diff_density_max         0.515
_refine_diff_density_min         -0.592
_refine_diff_density_rms         0.092



