#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:08:37 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179441 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/38/4333814.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_4333814
loop_
_publ_author_name
'Thomas Zöller'
'Klaus Jurkschat'
_publ_contact_author_address
;Technische Universität Dortmund
Otto-Hahn-Straße 6
Lehrstuhl für Anorganische Chemie II
44227 Dortmund
;
_publ_contact_author_email       klaus.jurkschat@tu-dortmund.de
_publ_contact_author_name        'Klaus Jurkschat'
_publ_section_title
;
 Novel Trialkanolamine Derivatives of Tin of the Type
 [N(CH2CMe2O)2(CH2)nOSnOR]m (m= 1, 2;n= 2, 3; R =t-Bu, 2,6-Me2C6H3) and
 Related Tri- and Pentanuclear Tin(IV) Oxoclusters. Syntheses and
 Molecular Structures
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1872
_journal_page_last               1882
_journal_paper_doi               10.1021/ic302042n
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C30 H62 N2 O8 Sn2, C7 H8'
_chemical_formula_sum            'C37 H70 N2 O8 Sn2'
_chemical_formula_weight         908.33
_chemical_melting_point          533
_chemical_name_systematic
; 
Bis{1-tert-butanolato-(2,9,10-trioxa-6-aza-8,8,11,11-
tetramethylstannatricyclo-[4.3.3.0^1.6^]dodecane} toluene solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.230(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.8063(6)
_cell_length_b                   12.5549(6)
_cell_length_c                   14.1181(8)
_cell_measurement_reflns_used    5106
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.1580
_cell_measurement_theta_min      2.1920
_cell_volume                     2045.19(19)
_computing_cell_refinement
'CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.55''
_computing_data_collection
'CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.55''
_computing_data_reduction
'CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.55''
_computing_molecular_graphics    'SHELXP-97 (Sheldrick, 1997)'
_computing_publication_material  'enCIFer Version 1.4'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur2 CCD Diffractometer'
_diffrn_measurement_method       'ω und ψ scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_sigmaI/netI    0.0577
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9050
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    1.270
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92755
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan  5 2010,16:28:46)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_description       block
_exptl_crystal_F_000             940
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.398
_refine_diff_density_min         -0.412
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.890
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     242
_refine_ls_number_reflns         3800
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.890
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0258
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0170P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0488
_refine_ls_wR_factor_ref         0.0499
_reflns_number_gt                2885
_reflns_number_total             3800
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302042n_si_002_3.cif
_cod_data_source_block           1639_compound4*toluene
_cod_original_cell_volume        2045.19(18)
_cod_database_code               4333814
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Sn1 Sn 0.943256(16) 0.122481(14) 0.034698(14) 0.01303(6) Uani 1 1 d .
N1 N 0.9316(2) 0.07517(17) 0.19636(17) 0.0189(6) Uani 1 1 d .
O1 O 0.77364(15) 0.11828(14) 0.02529(13) 0.0191(4) Uani 1 1 d .
O2 O 1.01020(16) 0.24941(13) 0.11271(14) 0.0199(5) Uani 1 1 d .
O3 O 1.08157(15) 0.02049(13) 0.06146(13) 0.0141(4) Uani 1 1 d .
O4 O 0.95363(16) 0.19413(13) -0.08742(13) 0.0186(5) Uani 1 1 d .
C11 C 0.7318(2) 0.0514(2) 0.0920(2) 0.0226(7) Uani 1 1 d .
C12 C 0.8058(2) 0.0665(2) 0.1939(2) 0.0242(7) Uani 1 1 d .
H12A H 0.7805 0.1304 0.2219 0.029 Uiso 1 1 calc R
H12B H 0.7929 0.0067 0.2338 0.029 Uiso 1 1 calc R
C13 C 0.6096(3) 0.0888(2) 0.0932(2) 0.0333(9) Uani 1 1 d .
H13A H 0.5614 0.0808 0.0297 0.050 Uiso 1 1 calc R
H13B H 0.6115 0.1623 0.1121 0.050 Uiso 1 1 calc R
H13C H 0.5788 0.0467 0.1386 0.050 Uiso 1 1 calc R
C14 C 0.7267(3) -0.0642(2) 0.0580(2) 0.0261(8) Uani 1 1 d .
H14A H 0.6802 -0.0689 -0.0065 0.039 Uiso 1 1 calc R
H14B H 0.6930 -0.1074 0.1009 0.039 Uiso 1 1 calc R
H14C H 0.8037 -0.0890 0.0582 0.039 Uiso 1 1 calc R
C21 C 0.9815(3) 0.2700(2) 0.2032(2) 0.0248(8) Uani 1 1 d .
C22 C 0.9844(3) 0.1649(2) 0.2588(2) 0.0222(7) Uani 1 1 d .
H22A H 1.0642 0.1473 0.2877 0.027 Uiso 1 1 calc R
H22B H 0.9432 0.1740 0.3109 0.027 Uiso 1 1 calc R
C23 C 0.8639(3) 0.3263(2) 0.1875(2) 0.0335(8) Uani 1 1 d .
H23A H 0.8051 0.2807 0.1510 0.050 Uiso 1 1 calc R
H23B H 0.8671 0.3913 0.1524 0.050 Uiso 1 1 calc R
H23C H 0.8458 0.3420 0.2491 0.050 Uiso 1 1 calc R
C24 C 1.0740(3) 0.3419(2) 0.2615(2) 0.0391(9) Uani 1 1 d .
H24A H 1.0745 0.4087 0.2285 0.059 Uiso 1 1 calc R
H24B H 1.1485 0.3085 0.2686 0.059 Uiso 1 1 calc R
H24C H 1.0577 0.3541 0.3244 0.059 Uiso 1 1 calc R
C31 C 1.1635(2) 0.0291(2) 0.1524(2) 0.0180(7) Uani 1 1 d .
H31A H 1.1775 0.1038 0.1680 0.022 Uiso 1 1 calc R
H31B H 1.2364 -0.0025 0.1457 0.022 Uiso 1 1 calc R
C32 C 1.1222(3) -0.0255(2) 0.2354(2) 0.0228(7) Uani 1 1 d .
H32A H 1.1495 -0.0986 0.2394 0.027 Uiso 1 1 calc R
H32B H 1.1586 0.0096 0.2954 0.027 Uiso 1 1 calc R
C33 C 0.9927(2) -0.0269(2) 0.2291(2) 0.0200(7) Uani 1 1 d .
H33A H 0.9590 -0.0829 0.1847 0.024 Uiso 1 1 calc R
H33B H 0.9785 -0.0447 0.2924 0.024 Uiso 1 1 calc R
C41 C 0.9610(3) 0.3040(2) -0.1111(2) 0.0214(7) Uani 1 1 d .
C42 C 0.9363(3) 0.3095(2) -0.2213(2) 0.0310(8) Uani 1 1 d .
H42A H 0.9934 0.2688 -0.2449 0.047 Uiso 1 1 calc R
H42B H 0.9391 0.3823 -0.2414 0.047 Uiso 1 1 calc R
H42C H 0.8607 0.2807 -0.2471 0.047 Uiso 1 1 calc R
C43 C 1.0808(3) 0.3455(2) -0.0703(3) 0.0372(9) Uani 1 1 d .
H43A H 1.0960 0.3422 -0.0008 0.056 Uiso 1 1 calc R
H43B H 1.0864 0.4180 -0.0903 0.056 Uiso 1 1 calc R
H43C H 1.1366 0.3028 -0.0936 0.056 Uiso 1 1 calc R
C44 C 0.8699(3) 0.3686(2) -0.0750(2) 0.0333(8) Uani 1 1 d .
H44A H 0.8849 0.3659 -0.0055 0.050 Uiso 1 1 calc R
H44B H 0.7945 0.3395 -0.1011 0.050 Uiso 1 1 calc R
H44C H 0.8726 0.4413 -0.0957 0.050 Uiso 1 1 calc R
C1L C 1.0430(5) -0.0638(4) 0.4948(5) 0.032(2) Uani 0.50 1 d PG
C2L C 0.9258(4) -0.0524(5) 0.4941(5) 0.027(2) Uani 0.50 1 d PG
H2L H 0.8779 -0.1120 0.4870 0.032 Uiso 0.50 1 calc PR
C3L C 0.8801(4) 0.0480(7) 0.5039(4) 0.052(3) Uani 0.50 1 d PG
H3L H 0.8016 0.0557 0.5035 0.063 Uiso 0.50 1 calc PR
C4L C 0.9516(6) 0.1370(5) 0.5145(5) 0.056(4) Uani 0.50 1 d PG
H4L H 0.9210 0.2042 0.5211 0.067 Uiso 0.50 1 calc PR
C5L C 1.0689(6) 0.1256(4) 0.5152(4) 0.040(2) Uani 0.50 1 d PG
H5L H 1.1168 0.1852 0.5223 0.048 Uiso 0.50 1 calc PR
C6L C 1.1146(3) 0.0252(5) 0.5054(4) 0.027(2) Uani 0.50 1 d PG
H6L H 1.1931 0.0176 0.5058 0.032 Uiso 0.50 1 calc PR
C7L C 1.0925(8) -0.1691(8) 0.4847(8) 0.050(3) Uani 0.50 1 d P
H7L1 H 1.1652 -0.1758 0.5301 0.076 Uiso 0.50 1 calc PR
H7L2 H 1.1047 -0.1773 0.4200 0.076 Uiso 0.50 1 calc PR
H7L3 H 1.0401 -0.2231 0.4973 0.076 Uiso 0.50 1 calc PR
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O4 Sn1 O1 101.70(8) . .
O4 Sn1 O2 91.57(7) . .
O1 Sn1 O2 109.51(7) . .
O4 Sn1 O3 104.60(8) . .
O1 Sn1 O3 138.78(7) . .
O2 Sn1 O3 100.95(7) . .
O4 Sn1 O3 81.92(7) . 3_755
O1 Sn1 O3 86.40(7) . 3_755
O2 Sn1 O3 163.81(7) . 3_755
O3 Sn1 O3 66.79(8) . 3_755
O4 Sn1 N1 167.23(7) . .
O1 Sn1 N1 78.20(8) . .
O2 Sn1 N1 76.61(8) . .
O3 Sn1 N1 82.71(8) . .
O3 Sn1 N1 110.75(7) 3_755 .
C12 N1 C22 111.3(2) . .
C12 N1 C33 111.1(2) . .
C22 N1 C33 110.7(2) . .
C12 N1 Sn1 104.81(16) . .
C22 N1 Sn1 106.07(16) . .
C33 N1 Sn1 112.76(17) . .
C11 O1 Sn1 117.28(16) . .
C21 O2 Sn1 120.05(17) . .
C31 O3 Sn1 118.53(15) . .
C31 O3 Sn1 125.43(14) . 3_755
Sn1 O3 Sn1 113.21(8) . 3_755
C41 O4 Sn1 131.65(17) . .
O1 C11 C13 106.8(2) . .
O1 C11 C14 110.4(2) . .
C13 C11 C14 108.8(2) . .
O1 C11 C12 109.9(2) . .
C13 C11 C12 107.8(2) . .
C14 C11 C12 113.0(2) . .
N1 C12 C11 113.7(2) . .
N1 C12 H12A 108.8 . .
C11 C12 H12A 108.8 . .
N1 C12 H12B 108.8 . .
C11 C12 H12B 108.8 . .
H12A C12 H12B 107.7 . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C11 C14 H14A 109.5 . .
C11 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C11 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
O2 C21 C24 108.5(3) . .
O2 C21 C23 109.7(2) . .
C24 C21 C23 109.3(2) . .
O2 C21 C22 108.8(2) . .
C24 C21 C22 107.4(2) . .
C23 C21 C22 113.1(3) . .
N1 C22 C21 112.9(2) . .
N1 C22 H22A 109.0 . .
C21 C22 H22A 109.0 . .
N1 C22 H22B 109.0 . .
C21 C22 H22B 109.0 . .
H22A C22 H22B 107.8 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
O3 C31 C32 112.9(2) . .
O3 C31 H31A 109.0 . .
C32 C31 H31A 109.0 . .
O3 C31 H31B 109.0 . .
C32 C31 H31B 109.0 . .
H31A C31 H31B 107.8 . .
C33 C32 C31 116.4(2) . .
C33 C32 H32A 108.2 . .
C31 C32 H32A 108.2 . .
C33 C32 H32B 108.2 . .
C31 C32 H32B 108.2 . .
H32A C32 H32B 107.4 . .
N1 C33 C32 115.1(2) . .
N1 C33 H33A 108.5 . .
C32 C33 H33A 108.5 . .
N1 C33 H33B 108.5 . .
C32 C33 H33B 108.5 . .
H33A C33 H33B 107.5 . .
O4 C41 C43 110.2(2) . .
O4 C41 C44 110.8(2) . .
C43 C41 C44 111.3(3) . .
O4 C41 C42 106.0(2) . .
C43 C41 C42 109.8(3) . .
C44 C41 C42 108.8(2) . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C41 C43 H43A 109.5 . .
C41 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C41 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C41 C44 H44A 109.5 . .
C41 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C41 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C2L C1L C6L 120.0 . .
C2L C1L C7L 120.6(6) . .
C6L C1L C7L 119.4(6) . .
C1L C2L C3L 120.0 . .
C1L C2L H2L 120.0 . .
C3L C2L H2L 120.0 . .
C2L C3L C4L 120.0 . .
C2L C3L H3L 120.0 . .
C4L C3L H3L 120.0 . .
C5L C4L C3L 120.0 . .
C5L C4L H4L 120.0 . .
C3L C4L H4L 120.0 . .
C4L C5L C6L 120.0 . .
C4L C5L H5L 120.0 . .
C6L C5L H5L 120.0 . .
C5L C6L C1L 120.0 . .
C5L C6L H6L 120.0 . .
C1L C6L H6L 120.0 . .
C1L C7L H7L1 109.5 . .
C1L C7L H7L2 109.5 . .
H7L1 C7L H7L2 109.5 . .
C1L C7L H7L3 109.5 . .
H7L1 C7L H7L3 109.5 . .
H7L2 C7L H7L3 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O4 1.9714(18) .
Sn1 O1 1.9793(18) .
Sn1 O2 2.0021(17) .
Sn1 O3 2.0463(17) .
Sn1 O3 2.2322(17) 3_755
Sn1 N1 2.390(2) .
N1 C12 1.482(3) .
N1 C22 1.483(3) .
N1 C33 1.494(3) .
O1 C11 1.425(3) .
O2 C21 1.413(3) .
O3 C31 1.438(3) .
O3 Sn1 2.2322(17) 3_755
O4 C41 1.427(3) .
C11 C13 1.521(4) .
C11 C14 1.526(4) .
C11 C12 1.528(4) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C21 C24 1.518(4) .
C21 C23 1.532(4) .
C21 C22 1.532(4) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C31 C32 1.524(4) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C33 1.513(4) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C41 C43 1.503(4) .
C41 C44 1.519(4) .
C41 C42 1.522(4) .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 H43A 0.9600 .
C43 H43B 0.9600 .
C43 H43C 0.9600 .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C1L C2L 1.3900 .
C1L C6L 1.3900 .
C1L C7L 1.464(10) .
C2L C3L 1.3900 .
C2L H2L 0.9300 .
C3L C4L 1.3900 .
C3L H3L 0.9300 .
C4L C5L 1.3900 .
C4L H4L 0.9300 .
C5L C6L 1.3900 .
C5L H5L 0.9300 .
C6L H6L 0.9300 .
C7L H7L1 0.9600 .
C7L H7L2 0.9600 .
C7L H7L3 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O4 Sn1 N1 C12 93.0(4) . .
O1 Sn1 N1 C12 2.08(16) . .
O2 Sn1 N1 C12 115.69(17) . .
O3 Sn1 N1 C12 -141.17(17) . .
O3 Sn1 N1 C12 -79.42(17) 3_755 .
O4 Sn1 N1 C22 -24.8(4) . .
O1 Sn1 N1 C22 -115.72(17) . .
O2 Sn1 N1 C22 -2.11(16) . .
O3 Sn1 N1 C22 101.03(17) . .
O3 Sn1 N1 C22 162.78(16) 3_755 .
O4 Sn1 N1 C33 -146.1(3) . .
O1 Sn1 N1 C33 123.02(18) . .
O2 Sn1 N1 C33 -123.37(18) . .
O3 Sn1 N1 C33 -20.24(17) . .
O3 Sn1 N1 C33 41.51(19) 3_755 .
O4 Sn1 O1 C11 166.96(18) . .
O2 Sn1 O1 C11 -97.12(18) . .
O3 Sn1 O1 C11 38.1(2) . .
O3 Sn1 O1 C11 85.98(18) 3_755 .
N1 Sn1 O1 C11 -26.09(18) . .
O4 Sn1 O2 C21 152.1(2) . .
O1 Sn1 O2 C21 49.1(2) . .
O3 Sn1 O2 C21 -102.7(2) . .
O3 Sn1 O2 C21 -142.1(2) 3_755 .
N1 Sn1 O2 C21 -23.02(19) . .
O4 Sn1 O3 C31 123.67(17) . .
O1 Sn1 O3 C31 -108.35(18) . .
O2 Sn1 O3 C31 29.12(18) . .
O3 Sn1 O3 C31 -162.0(2) 3_755 .
N1 Sn1 O3 C31 -45.66(17) . .
O4 Sn1 O3 Sn1 -74.36(9) . 3_755
O1 Sn1 O3 Sn1 53.62(15) . 3_755
O2 Sn1 O3 Sn1 -168.91(8) . 3_755
O3 Sn1 O3 Sn1 0.0 3_755 3_755
N1 Sn1 O3 Sn1 116.32(9) . 3_755
O1 Sn1 O4 C41 89.0(2) . .
O2 Sn1 O4 C41 -21.3(2) . .
O3 Sn1 O4 C41 -123.1(2) . .
O3 Sn1 O4 C41 173.6(2) 3_755 .
N1 Sn1 O4 C41 0.7(5) . .
Sn1 O1 C11 C13 161.66(18) . .
Sn1 O1 C11 C14 -80.2(3) . .
Sn1 O1 C11 C12 45.0(3) . .
C22 N1 C12 C11 133.9(2) . .
C33 N1 C12 C11 -102.4(3) . .
Sn1 N1 C12 C11 19.7(3) . .
O1 C11 C12 N1 -41.0(3) . .
C13 C11 C12 N1 -157.0(2) . .
C14 C11 C12 N1 82.8(3) . .
Sn1 O2 C21 C24 159.28(18) . .
Sn1 O2 C21 C23 -81.4(2) . .
Sn1 O2 C21 C22 42.7(3) . .
C12 N1 C22 C21 -89.8(3) . .
C33 N1 C22 C21 146.2(2) . .
Sn1 N1 C22 C21 23.6(3) . .
O2 C21 C22 N1 -41.8(3) . .
C24 C21 C22 N1 -159.0(3) . .
C23 C21 C22 N1 80.3(3) . .
Sn1 O3 C31 C32 80.4(2) . .
Sn1 O3 C31 C32 -79.2(3) 3_755 .
O3 C31 C32 C33 -31.2(3) . .
C12 N1 C33 C32 -179.2(2) . .
C22 N1 C33 C32 -55.1(3) . .
Sn1 N1 C33 C32 63.5(3) . .
C31 C32 C33 N1 -42.4(3) . .
Sn1 O4 C41 C43 75.2(3) . .
Sn1 O4 C41 C44 -48.3(3) . .
Sn1 O4 C41 C42 -166.11(18) . .
C6L C1L C2L C3L 0.0 . .
C7L C1L C2L C3L 179.9(9) . .
C1L C2L C3L C4L 0.0 . .
C2L C3L C4L C5L 0.0 . .
C3L C4L C5L C6L 0.0 . .
C4L C5L C6L C1L 0.0 . .
C2L C1L C6L C5L 0.0 . .
C7L C1L C6L C5L -179.9(9) . .
