#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/31/2213199.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_2213199
loop_
_publ_author_name
'Junying Li'
'Harrison, William T. A.'
'Tianduo Li'
_publ_section_title
;Octamethyl-1κ²C,2κ²C,3κ²C,4κ²C-bis(μ₂-2-methylpyrazine-5-carboxylato)-1:2κ²O:O;3:4κ²O:O-bis(2-methylpyrazine-5-carboxylato)-1κO,4κO-di-μ₃-oxido-1:2:3κ³O:O:O;2:3:4κ³O:O:O-tetratin(IV)
 hexahydrate
;
_journal_coeditor_code           CF2092
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1246
_journal_page_last               m1248
_journal_paper_doi               10.1107/S1600536807013888
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn4 O2 (C H3)8 (C6 H5 N2 O2)4], 6H2 O'
_chemical_formula_moiety         'C32 H44 N8 O10 Sn4, 6 H2 O'
_chemical_formula_sum            'C32 H56 N8 O16 Sn4'
_chemical_formula_weight         1283.61
_chemical_name_systematic
;
Octamethyl-1κ²C,2κ²C,3κ²C,4κ²C-
di-μ₂-2-methylpyrazine-5-carboxylato-1:2κ²O:O;3:\
4κ²O:O-bis(2-methylpyrazine-5-carboxylato)-1\kO,\
4\kO-di-μ₃-oxido-1:2:3κ³O:O:O;2:3:\
4κ³O:O:O-tetratin(IV) hexahydrate
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 125.137(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   23.735(6)
_cell_length_b                   7.543(2)
_cell_length_c                   16.468(4)
_cell_measurement_reflns_used    3146
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.37
_cell_measurement_theta_min      2.50
_cell_volume                     2411.1(11)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       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  0.0526
_diffrn_reflns_av_sigmaI/netI    0.0528
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6744
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.74
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.117
_exptl_absorpt_correction_T_max  0.500
_exptl_absorpt_correction_T_min  0.436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.768
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.38
_refine_diff_density_max         1.009
_refine_diff_density_min         -0.643
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     176
_refine_ls_number_reflns         2541
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0304
_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)+(0.0165P)²+4.5809P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0786
_reflns_number_gt                1920
_reflns_number_total             2541
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            cf2092.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               2213199
_cod_database_fobs_code          2213199
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
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
Sn Sn1 0.44627(2) 0.0000 0.26534(3) 0.03740(14) Uani d S 1
Sn Sn2 0.420929(19) 0.0000 0.47260(3) 0.03460(14) Uani d S 1
O O1 0.3477(2) 0.0000 0.2413(3) 0.0463(11) Uani d S 1
O O2 0.2334(2) 0.0000 0.1516(4) 0.082(2) Uani d S 1
O O3 0.4180(2) 0.0000 0.6105(3) 0.0460(11) Uani d S 1
O O4 0.3688(3) 0.0000 0.6914(4) 0.082(2) Uani d S 1
O O5 0.47866(18) 0.0000 0.4088(3) 0.0376(10) Uani d S 1
N N1 0.3466(2) 0.0000 0.0782(4) 0.0448(14) Uani d S 1
N N2 0.2244(3) 0.0000 -0.1107(4) 0.076(2) Uani d S 1
N N3 0.2938(3) 0.0000 0.4355(4) 0.0500(15) Uani d S 1
N N4 0.1742(3) 0.0000 0.4276(4) 0.0670(19) Uani d S 1
C C1 0.2878(4) 0.0000 0.1589(5) 0.0533(18) Uani d S 1
C C2 0.2855(3) 0.0000 0.0653(5) 0.0447(16) Uani d S 1
C C3 0.2251(3) 0.0000 -0.0288(5) 0.063(2) Uani d S 1
H H3A 0.1834 0.0000 -0.0356 0.075 Uiso calc SR 1
C C4 0.2850(4) 0.0000 -0.0985(5) 0.061(2) Uani d S 1
C C5 0.3455(4) 0.0000 -0.0041(5) 0.063(2) Uani d S 1
H H5A 0.3872 0.0000 0.0027 0.076 Uiso calc SR 1
C C6 0.2847(4) 0.0000 -0.1890(6) 0.099(4) Uani d S 1
H H6A 0.2379 0.0000 -0.2468 0.149 Uiso d SR 1
H H6B 0.3079 -0.1039 -0.1894 0.149 Uiso d R 1
C C7 0.3657(3) 0.0000 0.6137(5) 0.0488(17) Uani d S 1
C C8 0.2962(3) 0.0000 0.5181(4) 0.0391(15) Uani d S 1
C C9 0.2357(3) 0.0000 0.5119(5) 0.058(2) Uani d S 1
H H9A 0.2387 0.0000 0.5707 0.069 Uiso calc SR 1
C C10 0.1715(3) 0.0000 0.3440(5) 0.0545(19) Uani d S 1
C C11 0.2320(3) 0.0000 0.3500(5) 0.055(2) Uani d S 1
H H11A 0.2293 0.0000 0.2913 0.066 Uiso calc SR 1
C C12 0.1027(4) 0.0000 0.2464(6) 0.087(3) Uani d S 1
H H12A 0.0670 0.0000 0.2571 0.130 Uiso d SR 1
H H12B 0.0984 -0.1039 0.2095 0.130 Uiso d R 1
C C13 0.4566(3) 0.2666(7) 0.2408(4) 0.0597(14) Uani d . 1
H H13A 0.4163 0.3308 0.2239 0.090 Uiso calc R 1
H H13B 0.4618 0.2752 0.1873 0.090 Uiso calc R 1
H H13C 0.4964 0.3160 0.2999 0.090 Uiso calc R 1
C C14 0.3927(2) 0.2678(6) 0.4373(4) 0.0555(13) Uani d . 1
H H14A 0.4312 0.3347 0.4494 0.083 Uiso calc R 1
H H14B 0.3789 0.3133 0.4778 0.083 Uiso calc R 1
H H14C 0.3550 0.2777 0.3685 0.083 Uiso calc R 1
O O6 0.4854(3) 0.0000 0.8706(4) 0.095(2) Uani d S 1
H H1 0.4437 0.0000 0.8092 0.114 Uiso d SR 1
H H2 0.4905 -0.0844 0.9130 0.114 Uiso d PR 0.50
O O7 0.0908(3) 0.0000 0.0081(4) 0.103(2) Uani d S 1
H H3 0.1368 0.0000 0.0541 0.123 Uiso d SR 1
H H4 0.0613 -0.0792 0.0052 0.123 Uiso d PR 0.50
O O8 0.5000 0.7432(9) 0.0000 0.099(2) Uani d S 1
H H5 0.4948 0.8276 -0.0424 0.119 Uiso d PR 0.50
H H6 0.5296 0.6642 0.0029 0.119 Uiso d PR 0.50
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O5 Sn1 C13 . 6 102.58(15)
O5 Sn1 C13 . . 102.58(15)
C13 Sn1 C13 6 . 147.8(3)
O5 Sn1 O1 . . 81.70(15)
C13 Sn1 O1 6 . 101.63(15)
C13 Sn1 O1 . . 101.63(15)
O5 Sn1 N1 . . 149.74(15)
C13 Sn1 N1 6 . 84.18(14)
C13 Sn1 N1 . . 84.18(14)
O1 Sn1 N1 . . 68.04(16)
O5 Sn1 O3 . 5_656 67.74(13)
C13 Sn1 O3 6 5_656 85.61(14)
C13 Sn1 O3 . 5_656 85.61(14)
O1 Sn1 O3 . 5_656 149.44(14)
N1 Sn1 O3 . 5_656 142.52(14)
O5 Sn2 C14 5_656 6 106.05(14)
O5 Sn2 C14 5_656 . 106.05(14)
C14 Sn2 C14 6 . 147.9(3)
O5 Sn2 O5 5_656 . 75.26(17)
C14 Sn2 O5 6 . 93.22(14)
C14 Sn2 O5 . . 93.22(14)
O5 Sn2 O3 5_656 . 74.80(14)
C14 Sn2 O3 6 . 94.97(14)
C14 Sn2 O3 . . 94.97(14)
O5 Sn2 O3 . . 150.06(14)
O5 Sn2 N3 5_656 . 138.86(15)
C14 Sn2 N3 6 . 78.55(13)
C14 Sn2 N3 . . 78.55(13)
O5 Sn2 N3 . . 145.88(15)
O3 Sn2 N3 . . 64.06(14)
C1 O1 Sn1 . . 128.7(4)
C1 O1 Sn2 . . 141.7(4)
Sn1 O1 Sn2 . . 89.60(13)
C7 O3 Sn2 . . 128.5(4)
C7 O3 Sn1 . 5_656 138.8(4)
Sn2 O3 Sn1 . 5_656 92.71(13)
Sn1 O5 Sn2 . 5_656 124.74(18)
Sn1 O5 Sn2 . . 130.52(18)
Sn2 O5 Sn2 5_656 . 104.74(17)
C2 N1 C5 . . 116.8(6)
C2 N1 Sn1 . . 110.8(4)
C5 N1 Sn1 . . 132.5(4)
C4 N2 C3 . . 117.4(6)
C11 N3 C8 . . 117.1(5)
C11 N3 Sn2 . . 130.3(4)
C8 N3 Sn2 . . 112.6(4)
C9 N4 C10 . . 116.9(6)
O2 C1 O1 . . 124.6(7)
O2 C1 C2 . . 118.8(6)
O1 C1 C2 . . 116.6(6)
O2 C1 Sn1 . . 157.1(5)
C2 C1 Sn1 . . 84.1(4)
N1 C2 C3 . . 120.6(6)
N1 C2 C1 . . 115.9(5)
C3 C2 C1 . . 123.5(6)
N2 C3 C2 . . 122.4(6)
N2 C3 H3A . . 118.8
C2 C3 H3A . . 118.8
N2 C4 C5 . . 120.0(7)
N2 C4 C6 . . 117.8(6)
C5 C4 C6 . . 122.1(7)
N1 C5 C4 . . 122.7(7)
N1 C5 H5A . . 118.6
C4 C5 H5A . . 118.6
C4 C6 H6A . . 109.3
C4 C6 H6B . . 109.5
H6A C6 H6B . . 109.5
O4 C7 O3 . . 124.2(6)
O4 C7 C8 . . 117.7(5)
O3 C7 C8 . . 118.1(6)
O4 C7 Sn2 . . 158.0(5)
C8 C7 Sn2 . . 84.3(3)
N3 C8 C9 . . 119.7(6)
N3 C8 C7 . . 116.9(5)
C9 C8 C7 . . 123.4(6)
N4 C9 C8 . . 123.6(6)
N4 C9 H9A . . 118.2
C8 C9 H9A . . 118.2
N4 C10 C11 . . 119.5(6)
N4 C10 C12 . . 118.8(6)
C11 C10 C12 . . 121.7(7)
N3 C11 C10 . . 123.0(6)
N3 C11 H11A . . 118.5
C10 C11 H11A . . 118.5
C10 C12 H12A . . 109.6
C10 C12 H12B . . 109.4
H12A C12 H12B . . 109.5
Sn1 C13 H13A . . 109.5
Sn1 C13 H13B . . 109.5
H13A C13 H13B . . 109.5
Sn1 C13 H13C . . 109.5
H13A C13 H13C . . 109.5
H13B C13 H13C . . 109.5
Sn2 C14 H14A . . 109.5
Sn2 C14 H14B . . 109.5
H14A C14 H14B . . 109.5
Sn2 C14 H14C . . 109.5
H14A C14 H14C . . 109.5
H14B C14 H14C . . 109.5
H1 O6 H2 . . 115.6
H3 O7 H4 . . 125.0
H5 O8 H6 . . 105.3
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 O5 . 2.020(4) y
Sn1 C13 6 2.093(5) y
Sn1 C13 . 2.093(5) y
Sn1 O1 . 2.136(4) y
Sn1 N1 . 2.589(5) y
Sn1 O3 5_656 2.642(4) y
Sn2 O5 5_656 2.034(4) y
Sn2 C14 6 2.102(5) y
Sn2 C14 . 2.102(5) y
Sn2 O5 . 2.154(4) y
Sn2 O3 . 2.312(4) y
Sn2 N3 . 2.712(5) y
O1 C1 . 1.281(8) ?
O2 C1 . 1.227(8) ?
O3 C7 . 1.273(7) ?
O3 Sn1 5_656 2.642(4) ?
O4 C7 . 1.239(8) ?
O5 Sn2 5_656 2.034(4) ?
N1 C2 . 1.338(7) ?
N1 C5 . 1.341(8) ?
N2 C4 . 1.335(9) ?
N2 C3 . 1.339(8) ?
N3 C11 . 1.326(8) ?
N3 C8 . 1.328(7) ?
N4 C9 . 1.314(8) ?
N4 C10 . 1.340(8) ?
C1 C2 . 1.511(9) ?
C2 C3 . 1.377(9) ?
C3 H3A . 0.930 ?
C4 C5 . 1.382(10) ?
C4 C6 . 1.485(10) ?
C5 H5A . 0.930 ?
C6 H6A . 0.960 ?
C6 H6B . 0.960 ?
C7 C8 . 1.487(9) ?
C8 C9 . 1.379(8) ?
C9 H9A . 0.930 ?
C10 C11 . 1.381(9) ?
C10 C12 . 1.494(10) ?
C11 H11A . 0.930 ?
C12 H12A . 0.960 ?
C12 H12B . 0.960 ?
C13 H13A . 0.960 ?
C13 H13B . 0.960 ?
C13 H13C . 0.960 ?
C14 H14A . 0.960 ?
C14 H14B . 0.960 ?
C14 H14C . 0.960 ?
O6 H1 . 0.9215 ?
O6 H2 . 0.8997 ?
O7 H3 . 0.9008 ?
O7 H4 . 0.9016 ?
O8 H5 . 0.8993 ?
O8 H6 . 0.9013 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O6 H1 O4 . 0.92 1.72 2.638(8) 177
O6 H2 O8 1_546 0.90 1.85 2.750(6) 179
O7 H3 O2 . 0.90 1.90 2.798(7) 180
O7 H4 O8 7 0.90 1.87 2.774(6) 180
O8 H5 O6 1_564 0.90 1.85 2.750(6) 179
O8 H6 O7 3 0.90 1.87 2.774(6) 180
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O5 Sn1 O1 C1 . . 180.0
C13 Sn1 O1 C1 6 . -78.78(15)
C13 Sn1 O1 C1 . . 78.78(15)
N1 Sn1 O1 C1 . . 0.0
O3 Sn1 O1 C1 5_656 . 180.0
O5 Sn1 O1 Sn2 . . 0.0
C13 Sn1 O1 Sn2 6 . 101.22(15)
C13 Sn1 O1 Sn2 . . -101.22(15)
N1 Sn1 O1 Sn2 . . 180.0
O3 Sn1 O1 Sn2 5_656 . 0.0
O5 Sn2 O1 C1 5_656 . 180.0
C14 Sn2 O1 C1 6 . 78.78(14)
C14 Sn2 O1 C1 . . -78.78(14)
O5 Sn2 O1 C1 . . 180.0
O3 Sn2 O1 C1 . . 0.0
N3 Sn2 O1 C1 . . 0.0
O5 Sn2 O1 Sn1 5_656 . 0.0
C14 Sn2 O1 Sn1 6 . -101.22(14)
C14 Sn2 O1 Sn1 . . 101.22(14)
O5 Sn2 O1 Sn1 . . 0.0
O3 Sn2 O1 Sn1 . . 180.0
N3 Sn2 O1 Sn1 . . 180.0
O5 Sn2 O3 C7 5_656 . 180.000(3)
C14 Sn2 O3 C7 6 . -74.70(14)
C14 Sn2 O3 C7 . . 74.70(14)
O5 Sn2 O3 C7 . . 180.000(3)
N3 Sn2 O3 C7 . . 0.000(2)
O5 Sn2 O3 Sn1 5_656 5_656 0.0
C14 Sn2 O3 Sn1 6 5_656 105.30(14)
C14 Sn2 O3 Sn1 . 5_656 -105.30(14)
O5 Sn2 O3 Sn1 . 5_656 0.0
N3 Sn2 O3 Sn1 . 5_656 180.0
C13 Sn1 O5 Sn2 6 5_656 79.86(15)
C13 Sn1 O5 Sn2 . 5_656 -79.86(15)
O1 Sn1 O5 Sn2 . 5_656 180.0
N1 Sn1 O5 Sn2 . 5_656 180.0
O3 Sn1 O5 Sn2 5_656 5_656 0.0
C13 Sn1 O5 Sn2 6 . -100.14(15)
C13 Sn1 O5 Sn2 . . 100.14(15)
O1 Sn1 O5 Sn2 . . 0.0
N1 Sn1 O5 Sn2 . . 0.0
O3 Sn1 O5 Sn2 5_656 . 180.0
O5 Sn2 O5 Sn1 5_656 . 180.0
C14 Sn2 O5 Sn1 6 . 74.25(14)
C14 Sn2 O5 Sn1 . . -74.25(14)
O3 Sn2 O5 Sn1 . . 180.0
N3 Sn2 O5 Sn1 . . 0.0
O5 Sn2 O5 Sn2 5_656 5_656 0.0
C14 Sn2 O5 Sn2 6 5_656 -105.75(14)
C14 Sn2 O5 Sn2 . 5_656 105.75(14)
O3 Sn2 O5 Sn2 . 5_656 0.0
N3 Sn2 O5 Sn2 . 5_656 180.0
O5 Sn1 N1 C2 . . 0.0
C13 Sn1 N1 C2 6 . 105.04(15)
C13 Sn1 N1 C2 . . -105.04(15)
O1 Sn1 N1 C2 . . 0.0
O3 Sn1 N1 C2 5_656 . 180.0
O5 Sn1 N1 C5 . . 180.0
C13 Sn1 N1 C5 6 . -74.96(15)
C13 Sn1 N1 C5 . . 74.96(15)
O1 Sn1 N1 C5 . . 180.0
O3 Sn1 N1 C5 5_656 . 0.0
O5 Sn2 N3 C11 5_656 . 180.0000(10)
C14 Sn2 N3 C11 6 . -78.65(15)
C14 Sn2 N3 C11 . . 78.65(15)
O5 Sn2 N3 C11 . . 0.0
O3 Sn2 N3 C11 . . 180.000(2)
O5 Sn2 N3 C8 5_656 . 0.0
C14 Sn2 N3 C8 6 . 101.35(15)
C14 Sn2 N3 C8 . . -101.35(15)
O5 Sn2 N3 C8 . . 180.000(2)
O3 Sn2 N3 C8 . . 0.0
Sn1 O1 C1 O2 . . 180.0
Sn2 O1 C1 O2 . . 0.0000(10)
Sn1 O1 C1 C2 . . 0.0
Sn2 O1 C1 C2 . . 180.0
Sn2 O1 C1 Sn1 . . 180.000(2)
O5 Sn1 C1 O2 . . 0.0
C13 Sn1 C1 O2 6 . 104.33(15)
C13 Sn1 C1 O2 . . -104.33(15)
O1 Sn1 C1 O2 . . 0.0
N1 Sn1 C1 O2 . . 180.0000(10)
O3 Sn1 C1 O2 5_656 . 0.000(2)
O5 Sn1 C1 O1 . . 0.0
C13 Sn1 C1 O1 6 . 104.33(15)
C13 Sn1 C1 O1 . . -104.33(15)
N1 Sn1 C1 O1 . . 180.0000(10)
O3 Sn1 C1 O1 5_656 . 0.0
O5 Sn1 C1 C2 . . 180.0
C13 Sn1 C1 C2 6 . -75.67(15)
C13 Sn1 C1 C2 . . 75.67(15)
O1 Sn1 C1 C2 . . 180.0
N1 Sn1 C1 C2 . . 0.0
O3 Sn1 C1 C2 5_656 . 180.0
C5 N1 C2 C3 . . 0.0
Sn1 N1 C2 C3 . . 180.0
C5 N1 C2 C1 . . 180.0
Sn1 N1 C2 C1 . . 0.0
O2 C1 C2 N1 . . 180.0
O1 C1 C2 N1 . . 0.0
Sn1 C1 C2 N1 . . 0.0
O2 C1 C2 C3 . . 0.0
O1 C1 C2 C3 . . 180.0
Sn1 C1 C2 C3 . . 180.0
C4 N2 C3 C2 . . 0.0
N1 C2 C3 N2 . . 0.0
C1 C2 C3 N2 . . 180.0
C3 N2 C4 C5 . . 0.0
C3 N2 C4 C6 . . 180.0
C2 N1 C5 C4 . . 0.0
Sn1 N1 C5 C4 . . 180.0
N2 C4 C5 N1 . . 0.0
C6 C4 C5 N1 . . 180.0
Sn2 O3 C7 O4 . . 180.000(2)
Sn1 O3 C7 O4 5_656 . 0.000(3)
Sn2 O3 C7 C8 . . 0.000(2)
Sn1 O3 C7 C8 5_656 . 180.000(2)
Sn1 O3 C7 Sn2 5_656 . 180.000(5)
O5 Sn2 C7 O4 5_656 . 0.000(4)
C14 Sn2 C7 O4 6 . 106.07(14)
C14 Sn2 C7 O4 . . -106.07(14)
O5 Sn2 C7 O4 . . 0.000(5)
O3 Sn2 C7 O4 . . 0.000(4)
N3 Sn2 C7 O4 . . 180.000(5)
O5 Sn2 C7 O3 5_656 . 0.000(2)
C14 Sn2 C7 O3 6 . 106.07(14)
C14 Sn2 C7 O3 . . -106.07(14)
O5 Sn2 C7 O3 . . 0.000(3)
N3 Sn2 C7 O3 . . 180.0000(10)
O5 Sn2 C7 C8 5_656 . 180.0000(10)
C14 Sn2 C7 C8 6 . -73.93(14)
C14 Sn2 C7 C8 . . 73.93(14)
O5 Sn2 C7 C8 . . 180.000(2)
O3 Sn2 C7 C8 . . 180.000(3)
N3 Sn2 C7 C8 . . 0.0000(10)
C11 N3 C8 C9 . . 0.000(2)
Sn2 N3 C8 C9 . . 180.000(2)
C11 N3 C8 C7 . . 180.000(2)
Sn2 N3 C8 C7 . . 0.0000(10)
O4 C7 C8 N3 . . 180.0000(10)
O3 C7 C8 N3 . . 0.000(2)
Sn2 C7 C8 N3 . . 0.0
O4 C7 C8 C9 . . 0.000(2)
O3 C7 C8 C9 . . 180.000(3)
Sn2 C7 C8 C9 . . 180.000(2)
C10 N4 C9 C8 . . 0.000(2)
N3 C8 C9 N4 . . 0.0000(10)
C7 C8 C9 N4 . . 180.000(2)
C9 N4 C10 C11 . . 0.0000(10)
C9 N4 C10 C12 . . 180.000(2)
C8 N3 C11 C10 . . 0.0000(10)
Sn2 N3 C11 C10 . . 180.0
N4 C10 C11 N3 . . 0.0000(10)
C12 C10 C11 N3 . . 180.0
