#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/86/2228645.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2228645
loop_
_publ_author_name
'Liu, Lijun'
'Gong, Shuwen'
_publ_section_title
;
 catena-Poly[triethylammonium
 [[triphenyltin(IV)]-μ-3,3'-dihydroxy-4,4'-methylenedi-2-naphthoato]]
;
_journal_coeditor_code           BH2324
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m122
_journal_paper_doi               10.1107/S1600536810052402
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '(C6 H16 N) [Sn (C6 H5)3 (C23 H14 O6)]'
_chemical_formula_moiety         'C47 H45 N O6 Sn'
_chemical_formula_sum            'C47 H45 N O6 Sn'
_chemical_formula_weight         838.53
_chemical_melting_point          458
_chemical_name_systematic
;
catena-Poly[triethylammonium
[[triphenyltin(IV)]-μ-2,2'-dihydroxy-4,4'-methylenedi-2-naphthoato]]
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 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                 98.580(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.2590(14)
_cell_length_b                   16.3231(16)
_cell_length_c                   19.166(2)
_cell_measurement_reflns_used    2599
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.038
_cell_measurement_theta_min      2.371
_cell_volume                     4101.6(7)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD 1000 area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.1153
_diffrn_reflns_av_sigmaI/netI    0.1191
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            10588
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    0.672
_exptl_absorpt_correction_T_max  0.9297
_exptl_absorpt_correction_T_min  0.8553
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Siemens, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1728
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.533
_refine_diff_density_min         -0.838
_refine_ls_abs_structure_details 'Flack (1983), 2394 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.04(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.975
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     499
_refine_ls_number_reflns         6019
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.975
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.0697
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1004P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1682
_refine_ls_wR_factor_ref         0.1824
_reflns_number_gt                4406
_reflns_number_total             6019
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bh2324.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               2228645
_cod_database_fobs_code          2228645
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn Sn1 0.76424(5) 0.44960(4) 0.08738(4) 0.0419(2) Uani d . 1 . .
N N1 0.5704(7) 0.6521(6) 0.2187(5) 0.059(2) Uani d . 1 . .
H H1 0.5506 0.6055 0.1943 0.071 Uiso calc R 1 . .
O O1 0.5920(9) 0.4307(6) 0.0488(6) 0.047(2) Uani d . 1 . .
O O2 0.5631(6) 0.5121(5) 0.1380(4) 0.0522(18) Uani d . 1 . .
O O3 0.4525(6) 0.4040(5) -0.0559(4) 0.055(2) Uani d . 1 . .
H H3 0.5079 0.4003 -0.0305 0.082 Uiso calc R 1 . .
O O4 0.9306(9) 0.4593(6) 0.1263(6) 0.053(3) Uani d . 1 . .
O O5 0.9078(7) 0.5519(5) 0.2087(5) 0.062(2) Uani d . 1 . .
O O6 1.0543(6) 0.5914(5) 0.3030(4) 0.057(2) Uani d . 1 . .
H H6 0.9977 0.5932 0.2790 0.086 Uiso calc R 1 . .
C C1 0.5324(9) 0.4761(7) 0.0813(6) 0.046(3) Uani d . 1 . .
C C2 0.3574(9) 0.5325(6) 0.0775(6) 0.046(3) Uani d . 1 . .
H H2 0.3789 0.5536 0.1223 0.055 Uiso calc R 1 . .
C C3 0.4245(8) 0.4854(7) 0.0451(6) 0.046(3) Uani d . 1 . .
C C4 0.3884(14) 0.4520(7) -0.0235(9) 0.044(4) Uani d . 1 . .
C C5 0.2893(10) 0.4648(8) -0.0581(7) 0.043(3) Uani d . 1 . .
C C6 0.2219(8) 0.5155(7) -0.0229(6) 0.045(2) Uani d . 1 . .
C C7 0.2572(8) 0.5490(6) 0.0438(6) 0.043(2) Uani d . 1 . .
C C8 0.1909(9) 0.6002(7) 0.0782(6) 0.054(3) Uani d . 1 . .
H H8 0.2134 0.6211 0.1230 0.065 Uiso calc R 1 . .
C C9 0.0950(9) 0.6178(8) 0.0452(6) 0.056(3) Uani d . 1 . .
H H9 0.0535 0.6536 0.0658 0.067 Uiso calc R 1 . .
C C10 0.0601(9) 0.5819(8) -0.0195(7) 0.058(3) Uani d . 1 . .
H H10 -0.0069 0.5915 -0.0402 0.069 Uiso calc R 1 . .
C C11 0.1191(9) 0.5338(7) -0.0532(6) 0.051(3) Uani d . 1 . .
H H11 0.0927 0.5120 -0.0969 0.061 Uiso calc R 1 . .
C C12 0.9632(9) 0.5017(8) 0.1802(6) 0.051(3) Uani d . 1 . .
C C13 1.1374(14) 0.4399(9) 0.1843(10) 0.047(4) Uani d . 1 . .
H H13 1.1113 0.4120 0.1433 0.056 Uiso calc R 1 . .
C C14 1.0735(8) 0.4935(7) 0.2120(6) 0.045(2) Uani d . 1 . .
C C15 1.1138(8) 0.5372(6) 0.2741(5) 0.041(2) Uani d . 1 . .
C C16 1.2141(8) 0.5256(6) 0.3074(6) 0.043(2) Uani d . 1 . .
C C17 1.2795(9) 0.4682(7) 0.2773(7) 0.043(3) Uani d . 1 . .
C C18 1.2383(10) 0.4244(8) 0.2135(7) 0.048(3) Uani d . 1 . .
C C19 1.3028(8) 0.3696(7) 0.1845(6) 0.053(3) Uani d . 1 . .
H H19 1.2765 0.3398 0.1445 0.063 Uiso calc R 1 . .
C C20 1.4025(9) 0.3586(8) 0.2130(6) 0.058(3) Uani d . 1 . .
H H20 1.4439 0.3232 0.1920 0.069 Uiso calc R 1 . .
C C21 1.4406(10) 0.4009(7) 0.2732(7) 0.058(3) Uani d . 1 . .
H H21 1.5079 0.3922 0.2935 0.070 Uiso calc R 1 . .
C C22 1.3820(9) 0.4556(7) 0.3046(6) 0.049(3) Uani d . 1 . .
H H22 1.4111 0.4845 0.3444 0.058 Uiso calc R 1 . .
C C23 0.2537(9) 0.4235(8) -0.1279(6) 0.045(3) Uani d . 1 . .
H H23A 0.2001 0.3855 -0.1205 0.055 Uiso calc R 1 . .
H H23B 0.3102 0.3910 -0.1394 0.055 Uiso calc R 1 . .
C C24 0.7979(12) 0.3698(9) 0.0041(8) 0.046(3) Uani d . 1 . .
C C25 0.7434(11) 0.2978(8) -0.0158(6) 0.062(3) Uani d . 1 . .
H H25 0.6855 0.2851 0.0041 0.075 Uiso calc R 1 . .
C C26 0.7759(12) 0.2445(8) -0.0659(7) 0.068(4) Uani d . 1 . .
H H26 0.7404 0.1961 -0.0778 0.082 Uiso calc R 1 . .
C C27 0.8593(13) 0.2632(10) -0.0969(9) 0.070(4) Uani d . 1 . .
H H27 0.8778 0.2291 -0.1317 0.084 Uiso calc R 1 . .
C C28 0.9164(11) 0.3327(9) -0.0770(6) 0.068(4) Uani d . 1 . .
H H28 0.9743 0.3443 -0.0973 0.082 Uiso calc R 1 . .
C C29 0.8866(9) 0.3854(8) -0.0263(6) 0.059(3) Uani d . 1 . .
H H29 0.9259 0.4314 -0.0124 0.071 Uiso calc R 1 . .
C C30 0.7482(9) 0.5751(7) 0.0484(6) 0.049(3) Uani d . 1 . .
C C31 0.6617(11) 0.5948(9) -0.0028(7) 0.069(4) Uani d . 1 . .
H H31 0.6134 0.5553 -0.0190 0.082 Uiso calc R 1 . .
C C32 0.6520(12) 0.6747(9) -0.0276(7) 0.078(4) Uani d . 1 . .
H H32 0.5945 0.6888 -0.0593 0.093 Uiso calc R 1 . .
C C33 0.7264(12) 0.7352(9) -0.0065(7) 0.075(4) Uani d . 1 . .
H H33 0.7178 0.7888 -0.0226 0.090 Uiso calc R 1 . .
C C34 0.8115(12) 0.7121(8) 0.0385(7) 0.072(4) Uani d . 1 . .
H H34 0.8659 0.7483 0.0491 0.086 Uiso calc R 1 . .
C C35 0.8164(11) 0.6348(8) 0.0680(6) 0.069(4) Uani d . 1 . .
H H35 0.8701 0.6233 0.1037 0.083 Uiso calc R 1 . .
C C36 0.7411(13) 0.3798(10) 0.1791(8) 0.054(4) Uani d . 1 . .
C C37 0.7771(11) 0.4021(10) 0.2489(6) 0.071(4) Uani d . 1 . .
H H37 0.8141 0.4503 0.2579 0.086 Uiso calc R 1 . .
C C38 0.7585(12) 0.3532(10) 0.3055(7) 0.079(4) Uani d . 1 . .
H H38 0.7840 0.3682 0.3516 0.095 Uiso calc R 1 . .
C C39 0.7018(14) 0.2820(11) 0.2924(9) 0.074(5) Uani d . 1 . .
H H39 0.6892 0.2494 0.3299 0.088 Uiso calc R 1 . .
C C40 0.6642(13) 0.2591(9) 0.2248(8) 0.078(4) Uani d . 1 . .
H H40 0.6236 0.2126 0.2163 0.094 Uiso calc R 1 . .
C C41 0.6876(11) 0.3068(9) 0.1687(6) 0.066(3) Uani d . 1 . .
H H41 0.6665 0.2889 0.1228 0.079 Uiso calc R 1 . .
C C42 0.5879(11) 0.7165(9) 0.1637(7) 0.072(4) Uani d . 1 . .
H H42A 0.6405 0.6972 0.1376 0.086 Uiso calc R 1 . .
H H42B 0.6122 0.7666 0.1877 0.086 Uiso calc R 1 . .
C C43 0.4911(13) 0.7356(10) 0.1115(8) 0.091(5) Uani d . 1 . .
H H43A 0.4565 0.6854 0.0968 0.136 Uiso calc R 1 . .
H H43B 0.5094 0.7634 0.0711 0.136 Uiso calc R 1 . .
H H43C 0.4467 0.7699 0.1340 0.136 Uiso calc R 1 . .
C C44 0.4862(11) 0.6733(9) 0.2603(7) 0.073(4) Uani d . 1 . .
H H44A 0.4241 0.6826 0.2276 0.088 Uiso calc R 1 . .
H H44B 0.4745 0.6266 0.2894 0.088 Uiso calc R 1 . .
C C45 0.5061(15) 0.7465(11) 0.3066(8) 0.104(6) Uani d . 1 . .
H H45A 0.5742 0.7437 0.3319 0.156 Uiso calc R 1 . .
H H45B 0.4583 0.7477 0.3395 0.156 Uiso calc R 1 . .
H H45C 0.4987 0.7952 0.2782 0.156 Uiso calc R 1 . .
C C46 0.6704(11) 0.6326(9) 0.2641(7) 0.073(4) Uani d . 1 . .
H H46A 0.7178 0.6124 0.2342 0.087 Uiso calc R 1 . .
H H46B 0.6985 0.6828 0.2862 0.087 Uiso calc R 1 . .
C C47 0.6621(14) 0.5712(10) 0.3200(8) 0.091(5) Uani d . 1 . .
H H47A 0.6168 0.5912 0.3508 0.137 Uiso calc R 1 . .
H H47B 0.7283 0.5617 0.3467 0.137 Uiso calc R 1 . .
H H47C 0.6359 0.5208 0.2987 0.137 Uiso calc R 1 . .
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'
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'
N N 0.0061 0.0033 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C36 Sn1 C24 . . 110.7(4) y
C36 Sn1 C30 . . 139.3(5) y
C24 Sn1 C30 . . 109.5(5) y
C36 Sn1 O4 . . 91.1(5) y
C24 Sn1 O4 . . 89.3(5) y
C30 Sn1 O4 . . 95.1(4) y
C36 Sn1 O1 . . 86.3(5) y
C24 Sn1 O1 . . 89.2(5) y
C30 Sn1 O1 . . 88.6(4) y
O4 Sn1 O1 . . 176.3(4) y
C44 N1 C46 . . 113.6(10) ?
C44 N1 C42 . . 114.0(10) ?
C46 N1 C42 . . 109.4(10) ?
C44 N1 H1 . . 106.4 ?
C46 N1 H1 . . 106.4 ?
C42 N1 H1 . . 106.4 ?
C1 O1 Sn1 . . 114.2(8) ?
C4 O3 H3 . . 109.5 ?
C12 O4 Sn1 . . 120.9(9) ?
C15 O6 H6 . . 109.5 ?
O2 C1 O1 . . 122.6(11) ?
O2 C1 C3 . . 121.3(10) ?
O1 C1 C3 . . 116.0(10) ?
C3 C2 C7 . . 121.4(10) ?
C3 C2 H2 . . 119.3 ?
C7 C2 H2 . . 119.3 ?
C2 C3 C4 . . 118.1(11) ?
C2 C3 C1 . . 118.5(10) ?
C4 C3 C1 . . 123.3(11) ?
O3 C4 C5 . . 118.3(14) ?
O3 C4 C3 . . 119.1(15) ?
C5 C4 C3 . . 122.6(13) ?
C4 C5 C6 . . 117.7(12) ?
C4 C5 C23 . . 120.1(11) ?
C6 C5 C23 . . 122.1(12) ?
C7 C6 C11 . . 117.1(10) ?
C7 C6 C5 . . 119.9(10) ?
C11 C6 C5 . . 123.0(10) ?
C6 C7 C2 . . 120.3(9) ?
C6 C7 C8 . . 119.8(10) ?
C2 C7 C8 . . 119.8(10) ?
C9 C8 C7 . . 120.0(11) ?
C9 C8 H8 . . 120.0 ?
C7 C8 H8 . . 120.0 ?
C8 C9 C10 . . 119.3(11) ?
C8 C9 H9 . . 120.3 ?
C10 C9 H9 . . 120.3 ?
C11 C10 C9 . . 122.5(12) ?
C11 C10 H10 . . 118.8 ?
C9 C10 H10 . . 118.8 ?
C10 C11 C6 . . 121.0(11) ?
C10 C11 H11 . . 119.5 ?
C6 C11 H11 . . 119.5 ?
O4 C12 O5 . . 123.6(11) ?
O4 C12 C14 . . 118.4(11) ?
O5 C12 C14 . . 118.0(10) ?
C14 C13 C18 . . 124.6(15) ?
C14 C13 H13 . . 117.7 ?
C18 C13 H13 . . 117.7 ?
C13 C14 C15 . . 117.7(12) ?
C13 C14 C12 . . 121.1(12) ?
C15 C14 C12 . . 121.1(10) ?
O6 C15 C16 . . 118.2(9) ?
O6 C15 C14 . . 120.0(9) ?
C16 C15 C14 . . 121.8(9) ?
C15 C16 C17 . . 119.2(10) ?
C15 C16 C23 . 2_665 119.2(9) ?
C17 C16 C23 . 2_665 121.5(10) ?
C22 C17 C18 . . 117.8(10) ?
C22 C17 C16 . . 123.4(11) ?
C18 C17 C16 . . 118.7(11) ?
C13 C18 C19 . . 124.0(13) ?
C13 C18 C17 . . 117.8(13) ?
C19 C18 C17 . . 118.2(11) ?
C20 C19 C18 . . 122.3(11) ?
C20 C19 H19 . . 118.9 ?
C18 C19 H19 . . 118.9 ?
C19 C20 C21 . . 118.9(11) ?
C19 C20 H20 . . 120.6 ?
C21 C20 H20 . . 120.6 ?
C20 C21 C22 . . 122.1(11) ?
C20 C21 H21 . . 119.0 ?
C22 C21 H21 . . 119.0 ?
C21 C22 C17 . . 120.8(11) ?
C21 C22 H22 . . 119.6 ?
C17 C22 H22 . . 119.6 ?
C5 C23 C16 . 2_464 120.3(11) ?
C5 C23 H23A . . 107.3 ?
C16 C23 H23A 2_464 . 107.3 ?
C5 C23 H23B . . 107.3 ?
C16 C23 H23B 2_464 . 107.3 ?
H23A C23 H23B . . 106.9 ?
C25 C24 C29 . . 117.8(13) ?
C25 C24 Sn1 . . 123.5(10) ?
C29 C24 Sn1 . . 118.3(10) ?
C24 C25 C26 . . 120.3(13) ?
C24 C25 H25 . . 119.8 ?
C26 C25 H25 . . 119.8 ?
C27 C26 C25 . . 120.6(14) ?
C27 C26 H26 . . 119.7 ?
C25 C26 H26 . . 119.7 ?
C26 C27 C28 . . 120.5(14) ?
C26 C27 H27 . . 119.7 ?
C28 C27 H27 . . 119.7 ?
C27 C28 C29 . . 119.7(13) ?
C27 C28 H28 . . 120.2 ?
C29 C28 H28 . . 120.2 ?
C28 C29 C24 . . 121.0(13) ?
C28 C29 H29 . . 119.5 ?
C24 C29 H29 . . 119.5 ?
C35 C30 C31 . . 117.8(11) ?
C35 C30 Sn1 . . 123.9(9) ?
C31 C30 Sn1 . . 118.3(9) ?
C32 C31 C30 . . 118.1(15) ?
C32 C31 H31 . . 121.0 ?
C30 C31 H31 . . 121.0 ?
C31 C32 C33 . . 122.3(14) ?
C31 C32 H32 . . 118.9 ?
C33 C32 H32 . . 118.9 ?
C34 C33 C32 . . 117.6(13) ?
C34 C33 H33 . . 121.2 ?
C32 C33 H33 . . 121.2 ?
C33 C34 C35 . . 119.6(14) ?
C33 C34 H34 . . 120.2 ?
C35 C34 H34 . . 120.2 ?
C30 C35 C34 . . 124.0(13) ?
C30 C35 H35 . . 118.0 ?
C34 C35 H35 . . 118.0 ?
C41 C36 C37 . . 117.0(14) ?
C41 C36 Sn1 . . 118.1(11) ?
C37 C36 Sn1 . . 124.9(12) ?
C38 C37 C36 . . 121.3(15) ?
C38 C37 H37 . . 119.4 ?
C36 C37 H37 . . 119.4 ?
C39 C38 C37 . . 119.4(14) ?
C39 C38 H38 . . 120.3 ?
C37 C38 H38 . . 120.3 ?
C40 C39 C38 . . 120.7(14) ?
C40 C39 H39 . . 119.6 ?
C38 C39 H39 . . 119.6 ?
C39 C40 C41 . . 118.9(15) ?
C39 C40 H40 . . 120.5 ?
C41 C40 H40 . . 120.5 ?
C36 C41 C40 . . 122.5(14) ?
C36 C41 H41 . . 118.8 ?
C40 C41 H41 . . 118.8 ?
N1 C42 C43 . . 113.0(11) ?
N1 C42 H42A . . 109.0 ?
C43 C42 H42A . . 109.0 ?
N1 C42 H42B . . 109.0 ?
C43 C42 H42B . . 109.0 ?
H42A C42 H42B . . 107.8 ?
C42 C43 H43A . . 109.5 ?
C42 C43 H43B . . 109.5 ?
H43A C43 H43B . . 109.5 ?
C42 C43 H43C . . 109.5 ?
H43A C43 H43C . . 109.5 ?
H43B C43 H43C . . 109.5 ?
C45 C44 N1 . . 114.9(12) ?
C45 C44 H44A . . 108.5 ?
N1 C44 H44A . . 108.5 ?
C45 C44 H44B . . 108.5 ?
N1 C44 H44B . . 108.5 ?
H44A C44 H44B . . 107.5 ?
C44 C45 H45A . . 109.5 ?
C44 C45 H45B . . 109.5 ?
H45A C45 H45B . . 109.5 ?
C44 C45 H45C . . 109.5 ?
H45A C45 H45C . . 109.5 ?
H45B C45 H45C . . 109.5 ?
C47 C46 N1 . . 114.0(12) ?
C47 C46 H46A . . 108.8 ?
N1 C46 H46A . . 108.8 ?
C47 C46 H46B . . 108.8 ?
N1 C46 H46B . . 108.8 ?
H46A C46 H46B . . 107.6 ?
C46 C47 H47A . . 109.5 ?
C46 C47 H47B . . 109.5 ?
H47A C47 H47B . . 109.5 ?
C46 C47 H47C . . 109.5 ?
H47A C47 H47C . . 109.5 ?
H47B C47 H47C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sn1 C36 . 2.154(15) y
Sn1 C24 . 2.157(14) y
Sn1 C30 . 2.180(11) y
Sn1 O4 . 2.227(12) y
Sn1 O1 . 2.314(12) y
N1 C44 . 1.507(16) ?
N1 C46 . 1.507(16) ?
N1 C42 . 1.531(16) ?
N1 H1 . 0.9100 ?
O1 C1 . 1.307(15) ?
O2 C1 . 1.248(13) ?
O3 C4 . 1.371(17) ?
O3 H3 . 0.8200 ?
O4 C12 . 1.263(15) ?
O5 C12 . 1.276(14) ?
O6 C15 . 1.358(12) ?
O6 H6 . 0.8200 ?
C1 C3 . 1.502(15) ?
C2 C3 . 1.390(15) ?
C2 C7 . 1.413(15) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.44(2) ?
C4 C5 . 1.40(2) ?
C5 C6 . 1.456(16) ?
C5 C23 . 1.509(16) ?
C6 C7 . 1.406(15) ?
C6 C11 . 1.431(15) ?
C7 C8 . 1.442(16) ?
C8 C9 . 1.363(16) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.386(17) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.340(17) ?
C10 H10 . 0.9300 ?
C11 H11 . 0.9300 ?
C12 C14 . 1.505(16) ?
C13 C14 . 1.379(19) ?
C13 C18 . 1.39(2) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.420(14) ?
C15 C16 . 1.400(15) ?
C16 C17 . 1.453(15) ?
C16 C23 2_665 1.520(15) ?
C17 C22 . 1.397(16) ?
C17 C18 . 1.450(17) ?
C18 C19 . 1.408(17) ?
C19 C20 . 1.364(16) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.375(16) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.379(16) ?
C21 H21 . 0.9300 ?
C22 H22 . 0.9300 ?
C23 C16 2_464 1.520(15) ?
C23 H23A . 0.9700 ?
C23 H23B . 0.9700 ?
C24 C25 . 1.403(19) ?
C24 C29 . 1.412(19) ?
C25 C26 . 1.410(17) ?
C25 H25 . 0.9300 ?
C26 C27 . 1.37(2) ?
C26 H26 . 0.9300 ?
C27 C28 . 1.39(2) ?
C27 H27 . 0.9300 ?
C28 C29 . 1.398(17) ?
C28 H28 . 0.9300 ?
C29 H29 . 0.9300 ?
C30 C35 . 1.344(17) ?
C30 C31 . 1.429(17) ?
C31 C32 . 1.387(19) ?
C31 H31 . 0.9300 ?
C32 C33 . 1.41(2) ?
C32 H32 . 0.9300 ?
C33 C34 . 1.37(2) ?
C33 H33 . 0.9300 ?
C34 C35 . 1.382(18) ?
C34 H34 . 0.9300 ?
C35 H35 . 0.9300 ?
C36 C41 . 1.38(2) ?
C36 C37 . 1.401(19) ?
C37 C38 . 1.398(18) ?
C37 H37 . 0.9300 ?
C38 C39 . 1.39(2) ?
C38 H38 . 0.9300 ?
C39 C40 . 1.37(2) ?
C39 H39 . 0.9300 ?
C40 C41 . 1.399(18) ?
C40 H40 . 0.9300 ?
C41 H41 . 0.9300 ?
C42 C43 . 1.537(19) ?
C42 H42A . 0.9700 ?
C42 H42B . 0.9700 ?
C43 H43A . 0.9600 ?
C43 H43B . 0.9600 ?
C43 H43C . 0.9600 ?
C44 C45 . 1.49(2) ?
C44 H44A . 0.9700 ?
C44 H44B . 0.9700 ?
C45 H45A . 0.9600 ?
C45 H45B . 0.9600 ?
C45 H45C . 0.9600 ?
C46 C47 . 1.48(2) ?
C46 H46A . 0.9700 ?
C46 H46B . 0.9700 ?
C47 H47A . 0.9600 ?
C47 H47B . 0.9600 ?
C47 H47C . 0.9600 ?
