#------------------------------------------------------------------------------
#$Date: 2019-11-17 13:32:25 +0200 (Sun, 17 Nov 2019) $
#$Revision: 230183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/73/7057331.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7057331
loop_
_publ_author_name
'Švec, Petr'
'Cattey, Hélène'
'R°užičková, Zdeňka'
'Holub, Josef'
'R°užička, Aleš'
'Plasseraud, Laurent'
_publ_section_title
;
 Triorganotin(iv) cation-promoted dimethyl carbonate synthesis from CO2and
 methanol: solution and solid-state characterization of an unexpected
 diorganotin(iv)-oxo cluster
;
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              8253
_journal_paper_doi               10.1039/C7NJ05058E
_journal_volume                  42
_journal_year                    2018
_chemical_formula_moiety         'C35 H31 B F15 N O Sn, C3 H7'
_chemical_formula_sum            'C38 H38 B F15 N O Sn'
_chemical_formula_weight         939.19
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2017-11-08
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2017-12-11 deposited with the CCDC.
2018-04-23 downloaded from the CCDC.
;
_cell_angle_alpha                103.857(6)
_cell_angle_beta                 105.667(6)
_cell_angle_gamma                94.144(5)
_cell_formula_units_Z            2
_cell_length_a                   12.0570(6)
_cell_length_b                   12.2820(6)
_cell_length_c                   13.6270(12)
_cell_measurement_reflns_used    38020
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      1
_cell_measurement_theta_min      27.5
_cell_volume                     1866.1(2)
_computing_cell_refinement       'COLLECT and DENZO'
_computing_data_collection
'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'COLLECT and DENZO'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Nonius KappaCCD area detector'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_unetI/netI     0.0260
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            38020
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         1.726
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.793
_exptl_absorpt_correction_T_max  0.914
_exptl_absorpt_correction_T_min  0.788
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS v.2.10 (Bruker,2003) was used for absorption correction. R(int) was 0.1246 before and 0.0316 after correction. The Ratio of minimum to maximum transmission is 0.6284. The λ/2 correction factor is 0.0015.'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_description       block
_exptl_crystal_F_000             942
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.326
_refine_diff_density_min         -0.867
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     518
_refine_ls_number_reflns         8558
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.222
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0311
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0317P)²+2.5266P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0810
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7609
_reflns_number_total             8558
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7nj05058e2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7057329--7057331.cif.'
_cod_database_code               7057331
_shelx_shelxl_version_number     2017/1
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(F2) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
3.a Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C12(H12A,H12B), C10(H10A,H10B), C38(H38A,H38B), C15(H15A,
 H15B), C16(H16A,H16B), C11(H11A,H11B), C7(H7A,H7B), C37(H37A,H37B)
3.b Me refined with riding coordinates:
 C9(H9A,H9B,H9C), C13(H13A,H13B,H13C), C8(H8A,H8B,H8C), C17(H17A,H17B,H17C),
 C36(H36A,H36B,H36C)
3.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C5(H5), C4(H4), C3(H3)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Sn1 Sn 0.95493(2) 0.12078(2) 0.27923(2) 0.01808(5) Uani 1 1 d . .
F10 F 0.71581(12) 0.35040(12) 0.16868(12) 0.0247(3) Uani 1 1 d . .
O1 O 0.77452(14) 0.17872(15) 0.25467(14) 0.0203(3) Uani 1 1 d . .
F6 F 0.43492(12) 0.20461(13) 0.30715(12) 0.0277(3) Uani 1 1 d . .
F9 F 0.57999(14) 0.49702(13) 0.11109(14) 0.0335(4) Uani 1 1 d . .
F15 F 0.81184(13) 0.38278(12) 0.40759(12) 0.0299(3) Uani 1 1 d . .
F7 F 0.29949(13) 0.35412(14) 0.24850(15) 0.0363(4) Uani 1 1 d . .
F5 F 0.44847(15) 0.07689(13) 0.09505(13) 0.0366(4) Uani 1 1 d . .
F8 F 0.36895(15) 0.50258(14) 0.14999(15) 0.0397(4) Uani 1 1 d . .
F0AA F 0.74161(14) -0.01550(14) 0.35928(15) 0.0383(4) Uani 1 1 d . .
F11 F 0.57415(15) 0.08085(15) 0.44653(14) 0.0396(4) Uani 1 1 d . .
N1 N 1.12677(18) 0.03260(18) 0.27487(18) 0.0254(4) Uani 1 1 d . .
C29 C 0.6122(2) 0.34635(19) 0.19061(19) 0.0195(4) Uani 1 1 d . .
F2 F 0.6527(2) -0.23330(17) 0.2730(2) 0.0779(7) Uani 1 1 d . U
F4 F 0.36211(16) -0.13843(15) 0.01412(16) 0.0497(5) Uani 1 1 d . .
C14 C 1.0027(2) 0.2646(2) 0.2290(2) 0.0241(5) Uani 1 1 d . .
H14A H 0.987008 0.331850 0.274323 0.029 Uiso 1 1 calc R .
H14B H 1.085925 0.272932 0.238807 0.029 Uiso 1 1 calc R .
C30 C 0.6941(2) 0.2240(2) 0.41578(19) 0.0217(5) Uani 1 1 d . .
F3 F 0.46232(19) -0.29835(15) 0.0993(2) 0.0770(9) Uani 1 1 d . .
F14 F 0.87046(17) 0.47686(16) 0.61476(15) 0.0499(5) Uani 1 1 d . .
C12 C 1.0802(2) 0.2813(2) 0.6292(2) 0.0246(5) Uani 1 1 d . .
H12A H 1.005491 0.275145 0.643024 0.030 Uiso 1 1 calc R .
H12B H 1.121011 0.222102 0.651708 0.030 Uiso 1 1 calc R .
C1 C 0.8878(2) -0.0425(2) 0.17285(19) 0.0211(5) Uani 1 1 d . .
C25 C 0.4749(2) 0.2769(2) 0.25909(19) 0.0205(5) Uani 1 1 d . .
C2 C 0.9631(2) -0.1231(2) 0.1854(2) 0.0221(5) Uani 1 1 d . .
F12 F 0.63618(19) 0.1763(2) 0.65337(16) 0.0547(5) Uani 1 1 d . .
C10 C 0.9880(2) 0.1468(2) 0.44604(19) 0.0216(5) Uani 1 1 d . .
H10A H 0.914253 0.140896 0.461711 0.026 Uiso 1 1 calc R .
H10B H 1.029212 0.087365 0.467468 0.026 Uiso 1 1 calc R .
C23 C 0.5022(2) 0.0052(2) 0.1465(2) 0.0253(5) Uani 1 1 d . .
C26 C 0.4036(2) 0.3530(2) 0.2297(2) 0.0251(5) Uani 1 1 d . .
C28 C 0.5438(2) 0.4250(2) 0.1594(2) 0.0234(5) Uani 1 1 d . .
B1 B 0.6623(2) 0.1763(2) 0.2853(2) 0.0181(5) Uani 1 1 d . .
C24 C 0.58252(19) 0.26828(19) 0.24106(18) 0.0177(4) Uani 1 1 d . .
C18 C 0.5974(2) 0.04464(19) 0.2357(2) 0.0212(5) Uani 1 1 d . .
C38 C 0.5048(2) 0.4537(2) 0.5184(2) 0.0311(6) Uani 1 1 d . .
H38A H 0.566399 0.471533 0.585006 0.037 Uiso 1 1 calc R .
H38B H 0.524329 0.393452 0.468249 0.037 Uiso 1 1 calc R .
C15 C 0.9399(2) 0.2590(2) 0.1137(2) 0.0259(5) Uani 1 1 d . .
H15A H 0.970600 0.204538 0.067481 0.031 Uiso 1 1 calc R .
H15B H 0.857709 0.232520 0.098526 0.031 Uiso 1 1 calc R .
C27 C 0.4380(2) 0.4282(2) 0.1796(2) 0.0260(5) Uani 1 1 d . .
C35 C 0.7674(2) 0.3260(2) 0.4655(2) 0.0243(5) Uani 1 1 d . .
C16 C 0.9538(3) 0.3737(2) 0.0900(2) 0.0344(6) Uani 1 1 d . .
H16A H 0.947408 0.432594 0.149164 0.041 Uiso 1 1 calc R .
H16B H 1.030827 0.388794 0.082672 0.041 Uiso 1 1 calc R .
C11 C 1.0600(2) 0.2626(2) 0.5107(2) 0.0239(5) Uani 1 1 d . .
H11A H 1.134625 0.267803 0.496682 0.029 Uiso 1 1 calc R .
H11B H 1.019772 0.322088 0.488211 0.029 Uiso 1 1 calc R .
C31 C 0.6508(2) 0.1777(2) 0.4836(2) 0.0285(5) Uani 1 1 d . .
C6 C 0.7798(2) -0.0749(2) 0.0966(2) 0.0262(5) Uani 1 1 d . .
H6 H 0.730321 -0.021330 0.086031 0.031 Uiso 1 1 calc R .
C5 C 0.7453(2) -0.1868(2) 0.0361(2) 0.0323(6) Uani 1 1 d . .
H5 H 0.672939 -0.207830 -0.014991 0.039 Uiso 1 1 calc R .
C4 C 0.8181(3) -0.2670(2) 0.0516(2) 0.0328(6) Uani 1 1 d . .
H4 H 0.793711 -0.342233 0.012470 0.039 Uiso 1 1 calc R .
C32 C 0.6809(3) 0.2261(3) 0.5918(2) 0.0369(7) Uani 1 1 d . .
C7 C 1.0821(2) -0.0863(2) 0.2658(2) 0.0274(5) Uani 1 1 d . .
H7A H 1.077407 -0.092793 0.334118 0.033 Uiso 1 1 calc R .
H7B H 1.135593 -0.135685 0.244612 0.033 Uiso 1 1 calc R .
C9 C 1.2297(2) 0.0764(3) 0.3689(2) 0.0342(6) Uani 1 1 d . .
H9A H 1.257460 0.153296 0.373584 0.051 Uiso 1 1 calc R .
H9B H 1.208489 0.073846 0.431395 0.051 Uiso 1 1 calc R .
H9C H 1.289923 0.030544 0.362666 0.051 Uiso 1 1 calc R .
C13 C 1.1504(3) 0.3962(2) 0.6941(2) 0.0326(6) Uani 1 1 d . .
H13A H 1.160709 0.403783 0.767864 0.049 Uiso 1 1 calc R .
H13B H 1.225173 0.402184 0.681956 0.049 Uiso 1 1 calc R .
H13C H 1.109649 0.455229 0.673271 0.049 Uiso 1 1 calc R .
C8 C 1.1594(3) 0.0389(3) 0.1787(3) 0.0358(6) Uani 1 1 d . .
H8A H 1.092684 0.010506 0.117481 0.054 Uiso 1 1 calc R .
H8B H 1.186266 0.116304 0.184354 0.054 Uiso 1 1 calc R .
H8C H 1.220213 -0.006011 0.171991 0.054 Uiso 1 1 calc R .
C19 C 0.6443(2) -0.0413(2) 0.2748(2) 0.0299(6) Uani 1 1 d . .
C3 C 0.9272(2) -0.2354(2) 0.1251(2) 0.0288(5) Uani 1 1 d . .
H3 H 0.976697 -0.289223 0.134364 0.035 Uiso 1 1 calc R .
C17 C 0.8628(3) 0.3785(3) -0.0105(3) 0.0483(9) Uani 1 1 d . .
H17A H 0.874882 0.451851 -0.022252 0.072 Uiso 1 1 calc R .
H17B H 0.869849 0.321371 -0.069588 0.072 Uiso 1 1 calc R .
H17C H 0.786452 0.365160 -0.003113 0.072 Uiso 1 1 calc R .
C22 C 0.4549(2) -0.1078(2) 0.1011(2) 0.0341(6) Uani 1 1 d . .
C34 C 0.7991(2) 0.3778(2) 0.5730(2) 0.0329(6) Uani 1 1 d . .
C21 C 0.5048(3) -0.1885(2) 0.1438(3) 0.0461(9) Uani 1 1 d . .
C20 C 0.6002(3) -0.1554(2) 0.2317(3) 0.0461(9) Uani 1 1 d . .
C37 C 0.3939(3) 0.4165(3) 0.5339(3) 0.0530(9) Uani 1 1 d . .
H37A H 0.373622 0.474685 0.585390 0.064 Uiso 1 1 calc R .
H37B H 0.331246 0.396235 0.467890 0.064 Uiso 1 1 calc R .
C36 C 0.4179(6) 0.3222(6) 0.5712(5) 0.107(2) Uani 1 1 d . .
H36A H 0.350096 0.290199 0.584351 0.160 Uiso 1 1 calc R .
H36B H 0.439116 0.266753 0.519280 0.160 Uiso 1 1 calc R .
H36C H 0.481122 0.344516 0.635752 0.160 Uiso 1 1 calc R .
H1 H 0.779(3) 0.229(3) 0.232(3) 0.034(9) Uiso 1 1 d . .
F13 F 0.7864(2) 0.3735(2) 0.74143(14) 0.0617(6) Uani 1 1 d . .
C33 C 0.7555(3) 0.3261(3) 0.6366(2) 0.0393(7) Uani 1 1 d . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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'
B B 0.0010 0.0010 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0170 0.0100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6540 1.4250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
O1 Sn1 N1 169.29(7) .
C14 Sn1 O1 85.46(8) .
C14 Sn1 N1 97.33(9) .
C14 Sn1 C10 116.19(9) .
C1 Sn1 O1 93.46(8) .
C1 Sn1 N1 76.33(8) .
C1 Sn1 C14 122.94(10) .
C1 Sn1 C10 120.77(9) .
C10 Sn1 O1 94.20(8) .
C10 Sn1 N1 93.82(8) .
Sn1 O1 H1 105(3) .
B1 O1 Sn1 145.92(14) .
B1 O1 H1 107(3) .
C7 N1 Sn1 100.56(14) .
C7 N1 C8 110.0(2) .
C9 N1 Sn1 116.13(17) .
C9 N1 C7 110.5(2) .
C9 N1 C8 109.3(2) .
C8 N1 Sn1 110.05(16) .
F10 C29 C28 114.7(2) .
F10 C29 C24 120.3(2) .
C28 C29 C24 125.0(2) .
Sn1 C14 H14A 108.6 .
Sn1 C14 H14B 108.6 .
H14A C14 H14B 107.5 .
C15 C14 Sn1 114.84(17) .
C15 C14 H14A 108.6 .
C15 C14 H14B 108.6 .
C35 C30 B1 118.1(2) .
C35 C30 C31 113.8(2) .
C31 C30 B1 128.0(2) .
H12A C12 H12B 107.8 .
C11 C12 H12A 109.0 .
C11 C12 H12B 109.0 .
C13 C12 H12A 109.0 .
C13 C12 H12B 109.0 .
C13 C12 C11 112.7(2) .
C2 C1 Sn1 113.96(17) .
C6 C1 Sn1 126.83(18) .
C6 C1 C2 119.2(2) .
F6 C25 C26 116.6(2) .
F6 C25 C24 118.9(2) .
C26 C25 C24 124.5(2) .
C1 C2 C7 118.9(2) .
C3 C2 C1 120.0(2) .
C3 C2 C7 121.2(2) .
Sn1 C10 H10A 109.0 .
Sn1 C10 H10B 109.0 .
H10A C10 H10B 107.8 .
C11 C10 Sn1 112.77(16) .
C11 C10 H10A 109.0 .
C11 C10 H10B 109.0 .
F5 C23 C18 121.1(2) .
F5 C23 C22 114.2(2) .
C18 C23 C22 124.6(2) .
F7 C26 C25 120.6(2) .
F7 C26 C27 119.6(2) .
C25 C26 C27 119.8(2) .
F9 C28 C29 120.6(2) .
F9 C28 C27 120.5(2) .
C27 C28 C29 118.8(2) .
O1 B1 C30 109.06(18) .
O1 B1 C24 110.90(19) .
O1 B1 C18 105.39(18) .
C24 B1 C30 103.53(18) .
C18 B1 C30 114.81(19) .
C18 B1 C24 113.21(19) .
C29 C24 C25 112.9(2) .
C29 C24 B1 127.5(2) .
C25 C24 B1 119.5(2) .
C23 C18 B1 125.7(2) .
C19 C18 C23 113.0(2) .
C19 C18 B1 120.8(2) .
C38 C38 H38A 109.8 2_666
C38 C38 H38B 109.8 2_666
C38 C38 C37 109.3(3) 2_666
H38A C38 H38B 108.3 .
C37 C38 H38A 109.8 .
C37 C38 H38B 109.8 .
C14 C15 H15A 109.1 .
C14 C15 H15B 109.1 .
H15A C15 H15B 107.9 .
C16 C15 C14 112.4(2) .
C16 C15 H15A 109.1 .
C16 C15 H15B 109.1 .
F8 C27 C26 120.4(2) .
F8 C27 C28 120.6(2) .
C26 C27 C28 119.0(2) .
F15 C35 C30 119.8(2) .
F15 C35 C34 115.5(2) .
C34 C35 C30 124.7(3) .
C15 C16 H16A 109.1 .
C15 C16 H16B 109.1 .
H16A C16 H16B 107.9 .
C17 C16 C15 112.4(3) .
C17 C16 H16A 109.1 .
C17 C16 H16B 109.1 .
C12 C11 C10 112.2(2) .
C12 C11 H11A 109.2 .
C12 C11 H11B 109.2 .
C10 C11 H11A 109.2 .
C10 C11 H11B 109.2 .
H11A C11 H11B 107.9 .
F11 C31 C30 121.0(2) .
F11 C31 C32 115.6(2) .
C32 C31 C30 123.4(3) .
C1 C6 H6 119.8 .
C1 C6 C5 120.4(2) .
C5 C6 H6 119.8 .
C6 C5 H5 119.9 .
C4 C5 C6 120.2(3) .
C4 C5 H5 119.9 .
C5 C4 H4 120.0 .
C5 C4 C3 120.1(2) .
C3 C4 H4 120.0 .
F12 C32 C31 120.5(3) .
F12 C32 C33 119.5(3) .
C33 C32 C31 120.0(3) .
N1 C7 C2 110.8(2) .
N1 C7 H7A 109.5 .
N1 C7 H7B 109.5 .
C2 C7 H7A 109.5 .
C2 C7 H7B 109.5 .
H7A C7 H7B 108.1 .
N1 C9 H9A 109.5 .
N1 C9 H9B 109.5 .
N1 C9 H9C 109.5 .
H9A C9 H9B 109.5 .
H9A C9 H9C 109.5 .
H9B C9 H9C 109.5 .
C12 C13 H13A 109.5 .
C12 C13 H13B 109.5 .
C12 C13 H13C 109.5 .
H13A C13 H13B 109.5 .
H13A C13 H13C 109.5 .
H13B C13 H13C 109.5 .
N1 C8 H8A 109.5 .
N1 C8 H8B 109.5 .
N1 C8 H8C 109.5 .
H8A C8 H8B 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
F0AA C19 C18 119.5(2) .
F0AA C19 C20 116.2(2) .
C18 C19 C20 124.3(3) .
C2 C3 H3 120.0 .
C4 C3 C2 120.1(2) .
C4 C3 H3 120.0 .
C16 C17 H17A 109.5 .
C16 C17 H17B 109.5 .
C16 C17 H17C 109.5 .
H17A C17 H17B 109.5 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
F4 C22 C23 120.5(3) .
F4 C22 C21 119.9(2) .
C21 C22 C23 119.5(3) .
F14 C34 C35 120.9(3) .
F14 C34 C33 120.3(3) .
C33 C34 C35 118.8(3) .
F3 C21 C22 120.4(3) .
F3 C21 C20 120.7(3) .
C22 C21 C20 118.9(3) .
F2 C20 C19 120.4(3) .
F2 C20 C21 119.9(3) .
C21 C20 C19 119.7(3) .
C38 C37 H37A 111.3 .
C38 C37 H37B 111.3 .
H37A C37 H37B 109.2 .
C36 C37 C38 102.2(4) .
C36 C37 H37A 111.3 .
C36 C37 H37B 111.3 .
C37 C36 H36A 109.5 .
C37 C36 H36B 109.5 .
C37 C36 H36C 109.5 .
H36A C36 H36B 109.5 .
H36A C36 H36C 109.5 .
H36B C36 H36C 109.5 .
C32 C33 C34 119.2(3) .
F13 C33 C32 120.7(3) .
F13 C33 C34 120.0(3) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O1 2.3010(17) .
Sn1 N1 2.414(2) .
Sn1 C14 2.137(2) .
Sn1 C1 2.126(2) .
Sn1 C10 2.138(2) .
F10 C29 1.361(3) .
O1 B1 1.520(3) .
O1 H1 0.76(4) .
F6 C25 1.355(3) .
F9 C28 1.336(3) .
F15 C35 1.354(3) .
F7 C26 1.347(3) .
F5 C23 1.349(3) .
F8 C27 1.340(3) .
F0AA C19 1.358(3) .
F11 C31 1.351(3) .
N1 C7 1.483(3) .
N1 C9 1.478(3) .
N1 C8 1.483(4) .
C29 C28 1.385(3) .
C29 C24 1.385(3) .
F2 C20 1.336(3) .
F4 C22 1.345(3) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C14 C15 1.531(4) .
C30 B1 1.659(4) .
C30 C35 1.386(4) .
C30 C31 1.386(4) .
F3 C21 1.338(3) .
F14 C34 1.341(3) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C12 C11 1.524(3) .
C12 C13 1.522(4) .
C1 C2 1.399(3) .
C1 C6 1.389(3) .
C25 C26 1.372(3) .
C25 C24 1.391(3) .
C2 C7 1.511(4) .
C2 C3 1.394(4) .
F12 C32 1.347(3) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C10 C11 1.537(3) .
C23 C18 1.384(3) .
C23 C22 1.385(4) .
C26 C27 1.375(4) .
C28 C27 1.377(4) .
B1 C24 1.653(3) .
B1 C18 1.641(3) .
C18 C19 1.383(3) .
C38 C38 1.348(6) 2_666
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C38 C37 1.466(5) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C15 C16 1.527(4) .
C35 C34 1.382(4) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C16 C17 1.523(4) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C31 C32 1.385(4) .
C6 H6 0.9300 .
C6 C5 1.390(4) .
C5 H5 0.9300 .
C5 C4 1.381(4) .
C4 H4 0.9300 .
C4 C3 1.383(4) .
C32 C33 1.369(5) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C19 C20 1.385(4) .
C3 H3 0.9300 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C22 C21 1.363(4) .
C34 C33 1.376(5) .
C21 C20 1.371(5) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C37 C36 1.391(7) .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
F13 C33 1.342(3) .
