#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/20/8102060.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_8102060
loop_
_publ_author_name
'Lei, T.'
'Wang, G.-Y.'
'Li, Z.-H.'
'Lin, S.'
'Fang, X.-N.'
_publ_section_title
;
Crystal structure of bis(tetrakis(trimethylsilylmethyl)-(μ-
hydroxy)(p-nitrobenzoato)(μ³-oxo)ditin(IV)), [Sn₂O(OH)
(NO₂C₆H₄COO){(CH₃)₃SiCH₂}₄]₂
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              492
_journal_page_last               494
_journal_volume                  221
_journal_year                    2006
_chemical_formula_structural     (Sn2O(OH)(NO2C6H4COO)((CH3)3SiCH2)4)2
_chemical_formula_sum            'C46 H98 N2 O12 Si8 Sn4'
_chemical_formula_weight         1570.73
_chemical_melting_point          531
_chemical_name_systematic
; 
bis[tetrakis(trimethylsilylmethyl)(μ-hydroxy)(p-nitrobenzoato)(μ³-
oxo)ditin(IV)]

;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.1910(10)
_cell_angle_beta                 100.4080(10)
_cell_angle_gamma                106.6790(10)
_cell_formula_units_Z            1
_cell_length_a                   12.26160(10)
_cell_length_b                   12.48170(10)
_cell_length_c                   14.1222(2)
_cell_measurement_temperature    273(2)
_cell_volume                     1846.74(4)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        APEX2
_computing_molecular_graphics    SHELTL-97
_computing_publication_material  SHELTL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       phi/omega
_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  0.0538
_diffrn_reflns_av_sigmaI/netI    0.0397
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            23197
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    1.513
_exptl_absorpt_correction_T_max  0.716
_exptl_absorpt_correction_T_min  0.566
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             794
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.240
_refine_diff_density_max         1.057
_refine_diff_density_min         -1.016
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     341
_refine_ls_number_reflns         6488
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0355
_refine_ls_shift/su_max          0.182
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0606P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0999
_refine_ls_wR_factor_ref         0.1041
_reflns_number_gt                5113
_reflns_number_total             6488
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1892.cff
_cod_data_source_block           725
_cod_original_cell_volume        1846.73(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8102060
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7708(5) 0.7479(5) 0.2721(4) 0.0764(14) Uani 1 2 i d . . .
C2 C 0.8195(4) 0.7754(4) 0.1893(4) 0.0634(12) Uani 1 2 i d . . .
C3 C 0.7852(5) 0.8509(5) 0.1482(5) 0.0809(15) Uani 1 2 i d . . .
H3 H 0.7339 0.8872 0.1737 0.097 Uiso 1 2 i calc R . .
C4 C 0.8277(6) 0.8724(5) 0.0686(5) 0.0821(16) Uani 1 2 i d . . .
H4 H 0.8030 0.9211 0.0393 0.099 Uiso 1 2 i calc R . .
C5 C 0.9049(5) 0.8219(5) 0.0343(4) 0.0678(13) Uani 1 2 i d . . .
C6 C 0.9444(5) 0.7487(5) 0.0753(4) 0.0724(13) Uani 1 2 i d . . .
H6 H 0.9990 0.7164 0.0517 0.087 Uiso 1 2 i calc R . .
C7 C 0.9002(5) 0.7253(5) 0.1522(4) 0.0742(14) Uani 1 2 i d . . .
H7 H 0.9245 0.6753 0.1800 0.089 Uiso 1 2 i calc R . .
C8 C 0.6376(6) 0.3845(5) 0.2511(4) 0.0806(15) Uani 1 2 i d . . .
H8A H 0.6724 0.3356 0.2774 0.097 Uiso 1 2 i calc R . .
H8B H 0.5527 0.3511 0.2426 0.097 Uiso 1 2 i calc R . .
C9 C 0.5795(9) 0.4307(10) 0.0552(7) 0.168(4) Uani 1 2 i d . . .
H9A H 0.5638 0.4914 0.1085 0.252 Uiso 1 2 i calc R . .
H9B H 0.5058 0.3742 0.0000 0.252 Uiso 1 2 i calc R . .
H9C H 0.6339 0.4707 0.0257 0.252 Uiso 1 2 i calc R . .
C10 C 0.8015(8) 0.3835(8) 0.1153(8) 0.142(3) Uani 1 2 i d . . .
H10A H 0.8517 0.4587 0.1763 0.214 Uiso 1 2 i calc R . .
H10B H 0.8073 0.3939 0.0519 0.214 Uiso 1 2 i calc R . .
H10C H 0.8271 0.3182 0.1173 0.214 Uiso 1 2 i calc R . .
C11 C 0.5598(11) 0.1785(8) 0.0363(7) 0.201(6) Uani 1 2 i d . . .
H11A H 0.5434 0.1606 -0.0378 0.302 Uiso 1 2 i calc R . .
H11B H 0.4857 0.1558 0.0518 0.302 Uiso 1 2 i calc R . .
H11C H 0.6048 0.1325 0.0532 0.302 Uiso 1 2 i calc R . .
C12 C 0.8667(5) 0.6140(6) 0.4996(6) 0.099(2) Uani 1 2 i d . . .
H12A H 0.8429 0.6070 0.5598 0.119 Uiso 1 2 i calc R . .
H12B H 0.8987 0.5506 0.4742 0.119 Uiso 1 2 i calc R . .
C13 C 1.0731(7) 0.7699(11) 0.4556(7) 0.171(5) Uani 1 2 i d . . .
H13A H 1.0203 0.7668 0.3946 0.256 Uiso 1 2 i calc R . .
H13B H 1.0981 0.7014 0.4344 0.256 Uiso 1 2 i calc R . .
H13C H 1.1421 0.8456 0.4866 0.256 Uiso 1 2 i calc R . .
C14 C 1.1029(7) 0.7751(9) 0.6746(7) 0.143(3) Uani 1 2 i d . . .
H14A H 1.1747 0.8465 0.6981 0.214 Uiso 1 2 i calc R . .
H14B H 1.1220 0.7026 0.6567 0.214 Uiso 1 2 i calc R . .
H14C H 1.0669 0.7825 0.7304 0.214 Uiso 1 2 i calc R . .
C15 C 0.9445(7) 0.8915(6) 0.5917(8) 0.150(4) Uani 1 2 i d . . .
H15A H 0.8825 0.8801 0.5326 0.225 Uiso 1 2 i calc R . .
H15B H 1.0109 0.9671 0.6121 0.225 Uiso 1 2 i calc R . .
H15C H 0.9142 0.8953 0.6504 0.225 Uiso 1 2 i calc R . .
C16 C 0.6190(4) 0.7797(4) 0.6494(3) 0.0538(10) Uani 1 2 i d . . .
H16A H 0.5994 0.7555 0.7045 0.065 Uiso 1 2 i calc R . .
H16B H 0.7011 0.7873 0.6548 0.065 Uiso 1 2 i calc R . .
C17 C 0.7298(7) 1.0455(6) 0.8099(6) 0.125(3) Uani 1 2 i d . . .
H17A H 0.7310 1.1272 0.8257 0.187 Uiso 1 2 i calc R . .
H17B H 0.8068 1.0444 0.8061 0.187 Uiso 1 2 i calc R . .
H17C H 0.7114 1.0219 0.8648 0.187 Uiso 1 2 i calc R . .
C18 C 0.4661(5) 0.9335(5) 0.6913(5) 0.0916(18) Uani 1 2 i d . . .
H18A H 0.4550 0.9196 0.7523 0.137 Uiso 1 2 i calc R . .
H18B H 0.4050 0.8685 0.6285 0.137 Uiso 1 2 i calc R . .
H18C H 0.4610 1.0111 0.6985 0.137 Uiso 1 2 i calc R . .
C19 C 0.6460(6) 0.9843(6) 0.5737(6) 0.097(2) Uani 1 2 i d . . .
H19A H 0.6510 1.0676 0.5927 0.145 Uiso 1 2 i calc R . .
H19B H 0.5825 0.9306 0.5083 0.145 Uiso 1 2 i calc R . .
H19C H 0.7205 0.9792 0.5651 0.145 Uiso 1 2 i calc R . .
C20 C 0.3534(4) 0.6424(5) 0.4129(4) 0.0695(13) Uani 1 2 i d . . .
H20A H 0.2866 0.6031 0.4330 0.083 Uiso 1 2 i calc R . .
H20B H 0.3651 0.7289 0.4386 0.083 Uiso 1 2 i calc R . .
C21 C 0.3241(8) 0.4344(7) 0.2064(7) 0.164(5) Uani 1 2 i d . . .
H21A H 0.2697 0.3712 0.2180 0.247 Uiso 1 2 i calc R . .
H21B H 0.4050 0.4450 0.2377 0.247 Uiso 1 2 i calc R . .
H21C H 0.3086 0.4109 0.1316 0.247 Uiso 1 2 i calc R . .
C22 C 0.1521(8) 0.5686(10) 0.2158(7) 0.168(4) Uani 1 2 i d . . .
H22A H 0.1323 0.5450 0.1406 0.251 Uiso 1 2 i calc R . .
H22B H 0.1472 0.6474 0.2501 0.251 Uiso 1 2 i calc R . .
H22C H 0.0968 0.5081 0.2295 0.251 Uiso 1 2 i calc R . .
C23 C 0.3988(9) 0.6942(9) 0.2310(6) 0.153(4) Uani 1 2 i d . . .
H23A H 0.4404 0.6569 0.1865 0.230 Uiso 1 2 i calc R . .
H23B H 0.4558 0.7625 0.2943 0.230 Uiso 1 2 i calc R . .
H23C H 0.3491 0.7231 0.1934 0.230 Uiso 1 2 i calc R . .
N1 N 0.9486(5) 0.8426(5) -0.0511(4) 0.0876(14) Uani 1 2 i d . . .
O1 O 0.8988(5) 0.8889(5) -0.0992(4) 0.1132(16) Uani 1 2 i d . . .
O2 O 1.0305(6) 0.8110(6) -0.0692(4) 0.1270(19) Uani 1 2 i d . . .
O3 O 0.7199(5) 0.8143(4) 0.3160(4) 0.1195(18) Uani 1 2 i d . . .
O4 O 0.7844(3) 0.6587(3) 0.2897(3) 0.0717(9) Uani 1 2 i d . . .
O5 O 0.5807(2) 0.5037(2) 0.4545(2) 0.0499(6) Uani 1 2 i d . . .
O6 O 0.6233(3) 0.6832(3) 0.4089(3) 0.0592(8) Uani 1 2 i d . . .
Si1 Si 0.64715(17) 0.34468(16) 0.11597(12) 0.0846(5) Uani 1 2 i d . . .
Si2 Si 0.30361(16) 0.57850(15) 0.26700(12) 0.0821(5) Uani 1 2 i d . . .
Si3 Si 0.99417(13) 0.76221(15) 0.55359(13) 0.0741(4) Uani 1 2 i d . . .
Si4 Si 0.61457(12) 0.93621(11) 0.68126(11) 0.0601(3) Uani 1 2 i d . . .
Sn1 Sn 0.70601(3) 0.56130(3) 0.37867(2) 0.05321(11) Uani 1 2 i d . . .
Sn2 Sn 0.50812(2) 0.63307(2) 0.50123(2) 0.04354(10) Uani 1 2 i d . . .
H1 H 0.638(6) 0.755(7) 0.395(5) 0.12(2) Uiso 1 2 i d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Si Si 0.0817 0.0704 '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
_geom_angle_publ_flag
O3 C1 O4 126.4(5) . . ?
O3 C1 C2 116.5(5) . . ?
O4 C1 C2 117.1(5) . . ?
C3 C2 C7 118.8(5) . . ?
C3 C2 C1 120.4(5) . . ?
C7 C2 C1 120.8(5) . . ?
C2 C3 C4 120.1(6) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 119.4(5) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C4 C5 C6 122.6(5) . . ?
C4 C5 N1 119.7(5) . . ?
C6 C5 N1 117.7(5) . . ?
C7 C6 C5 117.9(5) . . ?
C7 C6 H6 121.1 . . ?
C5 C6 H6 121.1 . . ?
C6 C7 C2 121.3(5) . . ?
C6 C7 H7 119.4 . . ?
C2 C7 H7 119.4 . . ?
Si1 C8 Sn1 127.8(3) . . ?
Si1 C8 H8A 105.3 . . ?
Sn1 C8 H8A 105.3 . . ?
Si1 C8 H8B 105.4 . . ?
Sn1 C8 H8B 105.4 . . ?
H8A C8 H8B 106.0 . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si1 C10 H10A 109.5 . . ?
Si1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si3 C12 Sn1 125.0(3) . . ?
Si3 C12 H12A 106.1 . . ?
Sn1 C12 H12A 106.1 . . ?
Si3 C12 H12B 106.1 . . ?
Sn1 C12 H12B 106.1 . . ?
H12A C12 H12B 106.3 . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si4 C16 Sn2 119.1(2) . . ?
Si4 C16 H16A 107.5 . . ?
Sn2 C16 H16A 107.5 . . ?
Si4 C16 H16B 107.5 . . ?
Sn2 C16 H16B 107.5 . . ?
H16A C16 H16B 107.0 . . ?
Si4 C17 H17A 109.5 . . ?
Si4 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si4 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si4 C18 H18A 109.5 . . ?
Si4 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si4 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si4 C19 H19A 109.5 . . ?
Si4 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si4 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si2 C20 Sn2 122.7(3) . . ?
Si2 C20 H20A 106.7 . . ?
Sn2 C20 H20A 106.7 . . ?
Si2 C20 H20B 106.7 . . ?
Sn2 C20 H20B 106.7 . . ?
H20A C20 H20B 106.6 . . ?
Si2 C21 H21A 109.5 . . ?
Si2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si2 C22 H22A 109.5 . . ?
Si2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si2 C23 H23A 109.5 . . ?
Si2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O2 N1 O1 124.9(5) . . ?
O2 N1 C5 117.7(6) . . ?
O1 N1 C5 117.4(6) . . ?
C1 O4 Sn1 131.6(3) . . ?
Sn2 O5 Sn2 104.05(12) . 2_666 ?
Sn2 O5 Sn1 108.39(12) . . ?
Sn2 O5 Sn1 147.50(15) 2_666 . ?
Sn1 O6 Sn2 106.01(14) . . ?
Sn1 O6 H1 128(4) . . ?
Sn2 O6 H1 125(4) . . ?
C10 Si1 C8 111.6(4) . . ?
C10 Si1 C11 110.6(5) . . ?
C8 Si1 C11 108.4(4) . . ?
C10 Si1 C9 108.5(5) . . ?
C8 Si1 C9 109.6(4) . . ?
C11 Si1 C9 108.1(5) . . ?
C21 Si2 C22 113.4(4) . . ?
C21 Si2 C20 112.3(3) . . ?
C22 Si2 C20 111.3(3) . . ?
C21 Si2 C23 108.2(5) . . ?
C22 Si2 C23 104.5(5) . . ?
C20 Si2 C23 106.5(3) . . ?
C15 Si3 C12 111.0(3) . . ?
C15 Si3 C13 109.1(5) . . ?
C12 Si3 C13 110.7(4) . . ?
C15 Si3 C14 109.3(4) . . ?
C12 Si3 C14 108.5(4) . . ?
C13 Si3 C14 108.2(4) . . ?
C18 Si4 C17 109.2(4) . . ?
C18 Si4 C16 110.0(2) . . ?
C17 Si4 C16 108.6(3) . . ?
C18 Si4 C19 109.9(3) . . ?
C17 Si4 C19 110.1(4) . . ?
C16 Si4 C19 109.1(2) . . ?
O6 Sn1 C8 126.4(2) . . ?
O6 Sn1 C12 114.3(2) . . ?
C8 Sn1 C12 118.9(3) . . ?
O6 Sn1 O5 73.28(12) . . ?
C8 Sn1 O5 92.14(16) . . ?
C12 Sn1 O5 99.0(2) . . ?
O6 Sn1 O4 84.20(13) . . ?
C8 Sn1 O4 95.01(17) . . ?
C12 Sn1 O4 97.4(2) . . ?
O5 Sn1 O4 156.14(13) . . ?
O5 Sn2 O5 75.95(12) . 2_666 ?
O5 Sn2 C16 111.17(14) . . ?
O5 Sn2 C16 102.50(14) 2_666 . ?
O5 Sn2 C20 127.81(17) . . ?
O5 Sn2 C20 97.66(17) 2_666 . ?
C16 Sn2 C20 120.66(19) . . ?
O5 Sn2 O6 71.75(11) . . ?
O5 Sn2 O6 146.82(12) 2_666 . ?
C16 Sn2 O6 96.09(15) . . ?
C20 Sn2 O6 96.08(16) . . ?
O5 Sn2 Sn2 38.69(7) . 2_666 ?
O5 Sn2 Sn2 37.27(8) 2_666 2_666 ?
C16 Sn2 Sn2 111.40(11) . 2_666 ?
C20 Sn2 Sn2 117.94(15) . 2_666 ?
O6 Sn2 Sn2 110.11(8) . 2_666 ?
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
C1 O3 1.242(7) . ?
C1 O4 1.270(6) . ?
C1 C2 1.501(7) . ?
C2 C3 1.385(7) . ?
C2 C7 1.401(7) . ?
C3 C4 1.395(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.351(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.387(7) . ?
C5 N1 1.476(7) . ?
C6 C7 1.377(7) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 Si1 1.834(5) . ?
C8 Sn1 2.113(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 Si1 1.862(9) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 Si1 1.817(8) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 Si1 1.843(8) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 Si3 1.839(6) . ?
C12 Sn1 2.120(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 Si3 1.840(8) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 Si3 1.894(7) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 Si3 1.830(8) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 Si4 1.867(4) . ?
C16 Sn2 2.116(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 Si4 1.847(6) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 Si4 1.843(6) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 Si4 1.877(6) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 Si2 1.840(5) . ?
C20 Sn2 2.131(4) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 Si2 1.818(7) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 Si2 1.820(7) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 Si2 1.860(9) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
N1 O2 1.217(7) . ?
N1 O1 1.222(7) . ?
O4 Sn1 2.191(3) . ?
O5 Sn2 2.034(3) . ?
O5 Sn2 2.099(3) 2_666 ?
O5 Sn1 2.126(3) . ?
O6 Sn1 2.029(3) . ?
O6 Sn2 2.193(3) . ?
O6 H1 0.95(7) . ?
Sn2 O5 2.099(3) 2_666 ?
Sn2 Sn2 3.2579(5) 2_666 ?
