#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/91/2219181.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_2219181
loop_
_publ_author_name
'Reisi, Reza'
'Siti Munirah, Shahirin'
'Misran, Misni'
'Lo, Kong Mun'
'Ng, Seik Weng'
_publ_section_title
Octa-n-butyl-1{κ}²C,2{κ}²C,3{κ}²C,4{κ}²C-tetrakis({μ}-2-hydroxybenzoato)-1:2{κ}²O:O;2:3κ²O:O';3:4{κ}²O:O;1:4{κ}²O:O'-di-{μ}₃-oxido-1:2:3{κ}³O:O:O;1:3:4{κ}³O:O:O-tetratin(IV)
_journal_coeditor_code           TK2287
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1103
_journal_paper_doi               10.1107/S1600536808023787
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Sn4 (C4 H9)8 (C7 H5 O3)4 O2]'
_chemical_formula_moiety         'C60 H92 O14 Sn4'
_chemical_formula_sum            'C60 H92 O14 Sn4'
_chemical_formula_weight         1512.10
_chemical_name_systematic
;
Octa-n-butyl-\
1κ²C,2κ²C,3κ²C,4κ²C-
tetrakis(-μ-2-hydroxybenzoato)-1:2κ²O:O;2:3κ²O:
O';3:4κ²O:O;1:4κ²O:O'-di-
μ₃-oxido-1:2:3κ³O:O:O;
1:3:4k³O:O:O-tetratin(IV)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                106.3000(10)
_cell_angle_beta                 92.5320(10)
_cell_angle_gamma                115.2040(10)
_cell_formula_units_Z            1
_cell_length_a                   11.4549(2)
_cell_length_b                   12.1610(2)
_cell_length_c                   13.4436(2)
_cell_measurement_reflns_used    8563
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.4
_cell_measurement_theta_min      2.1
_cell_volume                     1597.18(5)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker SMART APEX diffractometer'
_diffrn_measurement_method       'ω scans'
_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  0.008
_diffrn_reflns_av_sigmaI/netI    0.016
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -7
_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            9253
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.6
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.605
_exptl_absorpt_correction_T_max  0.761
_exptl_absorpt_correction_T_min  0.581
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             764
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.91
_refine_diff_density_min         -0.86
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.17
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         7210
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.17
_refine_ls_R_factor_all          0.022
_refine_ls_R_factor_gt           0.018
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0396P)²+0.6175P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.053
_refine_ls_wR_factor_ref         0.067
_reflns_number_gt                6583
_reflns_number_total             7210
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            tk2287.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2219181
_cod_database_fobs_code          2219181
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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 0.474718(13) 0.580180(13) 0.753402(10) 0.01404(5) Uani d . 1
Sn Sn2 0.456706(13) 0.604166(12) 0.476911(10) 0.01191(5) Uani d . 1
O O1 0.41023(18) 0.72441(17) 0.74041(13) 0.0253(4) Uani d . 1
O O2 0.40862(16) 0.75903(15) 0.58632(12) 0.0191(3) Uani d . 1
O O3 0.37161(16) 0.95576(15) 0.57647(12) 0.0214(3) Uani d . 1
H H3 0.3993 0.9035 0.5466 0.032 Uiso calc R 1
O O4 0.54344(15) 0.43088(14) 0.72857(11) 0.0163(3) Uani d . 1
O O5 0.51748(16) 0.45675(15) 0.89385(12) 0.0201(3) Uani d . 1
O O6 0.55126(18) 0.31818(17) 0.99204(13) 0.0265(4) Uani d . 1
H H6 0.5272 0.3749 0.9937 0.040 Uiso calc R 1
O O7 0.48810(14) 0.54280(13) 0.59784(11) 0.0140(3) Uani d . 1
C C1 0.2821(2) 0.4578(2) 0.76932(18) 0.0209(4) Uani d . 1
H H1A 0.2382 0.3872 0.7011 0.025 Uiso calc R 1
H H1B 0.2912 0.4181 0.8223 0.025 Uiso calc R 1
C C2 0.1914(2) 0.5184(2) 0.80106(18) 0.0214(4) Uani d . 1
H H2A 0.1675 0.5439 0.7426 0.026 Uiso calc R 1
H H2B 0.2387 0.5972 0.8633 0.026 Uiso calc R 1
C C3 0.0665(2) 0.4265(2) 0.8274(2) 0.0274(5) Uani d . 1
H H3A 0.0195 0.3475 0.7652 0.033 Uiso calc R 1
H H3B 0.0905 0.4013 0.8860 0.033 Uiso calc R 1
C C4 -0.0249(3) 0.4862(3) 0.8588(2) 0.0366(6) Uani d . 1
H H4A -0.1034 0.4240 0.8752 0.055 Uiso calc R 1
H H4B -0.0508 0.5094 0.8003 0.055 Uiso calc R 1
H H4C 0.0206 0.5637 0.9210 0.055 Uiso calc R 1
C C5 0.6564(2) 0.7396(2) 0.84066(17) 0.0197(4) Uani d . 1
H H5A 0.7011 0.7831 0.7912 0.024 Uiso calc R 1
H H5B 0.6361 0.8013 0.8931 0.024 Uiso calc R 1
C C6 0.7543(2) 0.7138(2) 0.89931(18) 0.0228(4) Uani d . 1
H H6A 0.7175 0.6846 0.9577 0.027 Uiso calc R 1
H H6B 0.7669 0.6437 0.8504 0.027 Uiso calc R 1
C C7 0.8873(2) 0.8329(2) 0.94411(18) 0.0239(5) Uani d . 1
H H7A 0.9283 0.8563 0.8850 0.029 Uiso calc R 1
H H7B 0.8734 0.9057 0.9865 0.029 Uiso calc R 1
C C8 0.9803(3) 0.8134(3) 1.0124(2) 0.0369(6) Uani d . 1
H H8A 1.0637 0.8925 1.0386 0.055 Uiso calc R 1
H H8B 0.9960 0.7425 0.9706 0.055 Uiso calc R 1
H H8C 0.9414 0.7925 1.0722 0.055 Uiso calc R 1
C C9 0.2521(2) 0.4950(2) 0.41335(16) 0.0172(4) Uani d . 1
H H9A 0.2197 0.5510 0.3934 0.021 Uiso calc R 1
H H9B 0.2380 0.4239 0.3485 0.021 Uiso calc R 1
C C10 0.1726(2) 0.4388(2) 0.49052(17) 0.0183(4) Uani d . 1
H H10A 0.1809 0.5104 0.5527 0.022 Uiso calc R 1
H H10B 0.2104 0.3894 0.5152 0.022 Uiso calc R 1
C C11 0.0273(2) 0.3510(2) 0.44359(19) 0.0252(5) Uani d . 1
H H11A 0.0181 0.2778 0.3824 0.030 Uiso calc R 1
H H11B -0.0110 0.3995 0.4180 0.030 Uiso calc R 1
C C12 -0.0483(2) 0.2992(3) 0.5246(2) 0.0330(6) Uani d . 1
H H12A -0.1410 0.2432 0.4920 0.050 Uiso calc R 1
H H12B -0.0406 0.3714 0.5847 0.050 Uiso calc R 1
H H12C -0.0115 0.2498 0.5492 0.050 Uiso calc R 1
C C13 0.6307(2) 0.76707(19) 0.47831(16) 0.0160(4) Uani d . 1
H H13A 0.6772 0.7380 0.4247 0.019 Uiso calc R 1
H H13B 0.6055 0.8266 0.4568 0.019 Uiso calc R 1
C C14 0.7264(2) 0.8419(2) 0.58388(16) 0.0171(4) Uani d . 1
H H14A 0.6834 0.8776 0.6370 0.021 Uiso calc R 1
H H14B 0.7488 0.7824 0.6082 0.021 Uiso calc R 1
C C15 0.8518(2) 0.9512(2) 0.57547(18) 0.0231(5) Uani d . 1
H H15A 0.8287 1.0088 0.5488 0.028 Uiso calc R 1
H H15B 0.8956 0.9149 0.5237 0.028 Uiso calc R 1
C C16 0.9473(2) 1.0299(2) 0.6806(2) 0.0314(5) Uani d . 1
H H16A 1.0258 1.0991 0.6709 0.047 Uiso calc R 1
H H16B 0.9725 0.9740 0.7065 0.047 Uiso calc R 1
H H16C 0.9050 1.0674 0.7319 0.047 Uiso calc R 1
C C17 0.5490(2) 0.4027(2) 0.81372(16) 0.0154(4) Uani d . 1
C C18 0.5934(2) 0.30563(19) 0.81605(16) 0.0155(4) Uani d . 1
C C19 0.5912(2) 0.2678(2) 0.90565(17) 0.0210(4) Uani d . 1
C C20 0.6303(3) 0.1737(2) 0.9064(2) 0.0295(5) Uani d . 1
H H20 0.6281 0.1472 0.9666 0.035 Uiso calc R 1
C C21 0.6721(3) 0.1191(2) 0.8199(2) 0.0313(6) Uani d . 1
H H21 0.6990 0.0556 0.8215 0.038 Uiso calc R 1
C C22 0.6754(2) 0.1561(2) 0.73042(19) 0.0250(5) Uani d . 1
H H22 0.7044 0.1183 0.6712 0.030 Uiso calc R 1
C C23 0.6359(2) 0.2481(2) 0.72919(17) 0.0186(4) Uani d . 1
H H23 0.6375 0.2732 0.6682 0.022 Uiso calc R 1
C C24 0.39034(19) 0.78038(19) 0.68108(17) 0.0148(4) Uani d . 1
C C25 0.3413(2) 0.8755(2) 0.72378(16) 0.0167(4) Uani d . 1
C C26 0.3334(2) 0.9564(2) 0.67047(17) 0.0179(4) Uani d . 1
C C27 0.2884(2) 1.0455(2) 0.71614(18) 0.0224(4) Uani d . 1
H H27 0.2829 1.1005 0.6801 0.027 Uiso calc R 1
C C28 0.2519(2) 1.0542(2) 0.81310(19) 0.0266(5) Uani d . 1
H H28 0.2229 1.1162 0.8442 0.032 Uiso calc R 1
C C29 0.2572(3) 0.9720(2) 0.86622(19) 0.0286(5) Uani d . 1
H H29 0.2307 0.9772 0.9326 0.034 Uiso calc R 1
C C30 0.3010(2) 0.8841(2) 0.82159(19) 0.0251(5) Uani d . 1
H H30 0.3042 0.8280 0.8574 0.030 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'
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
O7 Sn1 C5 . . 106.97(7)
O7 Sn1 C1 . . 110.04(7)
C1 Sn1 C5 . . 142.70(10)
O7 Sn1 O1 . . 88.26(6)
C5 Sn1 O1 . . 86.54(8)
C1 Sn1 O1 . . 90.33(8)
O7 Sn1 O4 . . 78.77(5)
C5 Sn1 O4 . . 96.61(7)
C1 Sn1 O4 . . 94.63(7)
O1 Sn1 O4 . . 167.02(6)
O7 Sn2 C13 . . 109.41(7)
O7 Sn2 C9 . . 105.66(7)
C9 Sn2 C13 . . 144.00(10)
O7 Sn2 O7 . 2_666 77.15(6)
C13 Sn2 O7 . 2_666 98.31(7)
C9 Sn2 O7 . 2_666 97.06(7)
O7 Sn2 O2 . . 92.54(5)
C13 Sn2 O2 . . 83.38(7)
C9 Sn2 O2 . . 87.28(7)
O7 Sn2 O2 2_666 . 169.55(5)
O7 Sn2 O4 . 2_666 144.40(5)
C13 Sn2 O4 . 2_666 77.34(6)
C9 Sn2 O4 . 2_666 78.99(6)
O7 Sn2 O4 2_666 2_666 67.25(5)
O2 Sn2 O4 . 2_666 123.06(5)
O7 Sn2 Sn2 . 2_666 39.68(4)
C13 Sn2 Sn2 . 2_666 107.57(6)
C9 Sn2 Sn2 . 2_666 104.41(6)
O7 Sn2 Sn2 2_666 2_666 37.46(4)
O2 Sn2 Sn2 . 2_666 132.20(4)
O4 Sn2 Sn2 2_666 2_666 104.71(3)
C24 O1 Sn1 . . 145.23(14)
C24 O2 Sn2 . . 131.75(13)
C26 O3 H3 . . 120.0
C17 O4 Sn1 . . 109.71(13)
C19 O6 H6 . . 120.0
Sn1 O7 Sn2 . . 137.90(7)
Sn1 O7 Sn2 . 2_666 119.21(6)
Sn2 O7 Sn2 . 2_666 102.85(6)
C2 C1 Sn1 . . 117.60(15)
C2 C1 H1A . . 107.9
Sn1 C1 H1A . . 107.9
C2 C1 H1B . . 107.9
Sn1 C1 H1B . . 107.9
H1A C1 H1B . . 107.2
C1 C2 C3 . . 112.06(19)
C1 C2 H2A . . 109.2
C3 C2 H2A . . 109.2
C1 C2 H2B . . 109.2
C3 C2 H2B . . 109.2
H2A C2 H2B . . 107.9
C4 C3 C2 . . 112.4(2)
C4 C3 H3A . . 109.1
C2 C3 H3A . . 109.1
C4 C3 H3B . . 109.1
C2 C3 H3B . . 109.1
H3A C3 H3B . . 107.9
C3 C4 H4A . . 109.5
C3 C4 H4B . . 109.5
H4A C4 H4B . . 109.5
C3 C4 H4C . . 109.5
H4A C4 H4C . . 109.5
H4B C4 H4C . . 109.5
C6 C5 Sn1 . . 118.38(15)
C6 C5 H5A . . 107.7
Sn1 C5 H5A . . 107.7
C6 C5 H5B . . 107.7
Sn1 C5 H5B . . 107.7
H5A C5 H5B . . 107.1
C7 C6 C5 . . 112.48(19)
C7 C6 H6A . . 109.1
C5 C6 H6A . . 109.1
C7 C6 H6B . . 109.1
C5 C6 H6B . . 109.1
H6A C6 H6B . . 107.8
C8 C7 C6 . . 113.1(2)
C8 C7 H7A . . 108.9
C6 C7 H7A . . 108.9
C8 C7 H7B . . 108.9
C6 C7 H7B . . 108.9
H7A C7 H7B . . 107.8
C7 C8 H8A . . 109.5
C7 C8 H8B . . 109.5
H8A C8 H8B . . 109.5
C7 C8 H8C . . 109.5
H8A C8 H8C . . 109.5
H8B C8 H8C . . 109.5
C10 C9 Sn2 . . 112.74(13)
C10 C9 H9A . . 109.0
Sn2 C9 H9A . . 109.0
C10 C9 H9B . . 109.0
Sn2 C9 H9B . . 109.0
H9A C9 H9B . . 107.8
C9 C10 C11 . . 113.68(18)
C9 C10 H10A . . 108.8
C11 C10 H10A . . 108.8
C9 C10 H10B . . 108.8
C11 C10 H10B . . 108.8
H10A C10 H10B . . 107.7
C10 C11 C12 . . 111.6(2)
C10 C11 H11A . . 109.3
C12 C11 H11A . . 109.3
C10 C11 H11B . . 109.3
C12 C11 H11B . . 109.3
H11A C11 H11B . . 108.0
C11 C12 H12A . . 109.5
C11 C12 H12B . . 109.5
H12A C12 H12B . . 109.5
C11 C12 H12C . . 109.5
H12A C12 H12C . . 109.5
H12B C12 H12C . . 109.5
C14 C13 Sn2 . . 115.51(13)
C14 C13 H13A . . 108.4
Sn2 C13 H13A . . 108.4
C14 C13 H13B . . 108.4
Sn2 C13 H13B . . 108.4
H13A C13 H13B . . 107.5
C15 C14 C13 . . 111.74(17)
C15 C14 H14A . . 109.3
C13 C14 H14A . . 109.3
C15 C14 H14B . . 109.3
C13 C14 H14B . . 109.3
H14A C14 H14B . . 107.9
C14 C15 C16 . . 112.79(19)
C14 C15 H15A . . 109.0
C16 C15 H15A . . 109.0
C14 C15 H15B . . 109.0
C16 C15 H15B . . 109.0
H15A C15 H15B . . 107.8
C15 C16 H16A . . 109.5
C15 C16 H16B . . 109.5
H16A C16 H16B . . 109.5
C15 C16 H16C . . 109.5
H16A C16 H16C . . 109.5
H16B C16 H16C . . 109.5
O5 C17 O4 . . 120.69(19)
O5 C17 C18 . . 119.94(18)
O4 C17 C18 . . 119.37(18)
C19 C18 C23 . . 118.82(19)
C19 C18 C17 . . 119.86(19)
C23 C18 C17 . . 121.30(19)
O6 C19 C20 . . 118.1(2)
O6 C19 C18 . . 122.4(2)
C20 C19 C18 . . 119.6(2)
C21 C20 C19 . . 120.3(2)
C21 C20 H20 . . 119.8
C19 C20 H20 . . 119.8
C20 C21 C22 . . 120.8(2)
C20 C21 H21 . . 119.6
C22 C21 H21 . . 119.6
C23 C22 C21 . . 119.0(2)
C23 C22 H22 . . 120.5
C21 C22 H22 . . 120.5
C22 C23 C18 . . 121.5(2)
C22 C23 H23 . . 119.3
C18 C23 H23 . . 119.3
O1 C24 O2 . . 123.73(19)
O1 C24 C25 . . 117.86(18)
O2 C24 C25 . . 118.40(18)
C26 C25 C30 . . 119.1(2)
C26 C25 C24 . . 122.59(19)
C30 C25 C24 . . 118.34(19)
O3 C26 C27 . . 117.32(19)
O3 C26 C25 . . 123.03(19)
C27 C26 C25 . . 119.6(2)
C28 C27 C26 . . 120.4(2)
C28 C27 H27 . . 119.8
C26 C27 H27 . . 119.8
C27 C28 C29 . . 120.4(2)
C27 C28 H28 . . 119.8
C29 C28 H28 . . 119.8
C30 C29 C28 . . 119.4(2)
C30 C29 H29 . . 120.3
C28 C29 H29 . . 120.3
C29 C30 C25 . . 121.1(2)
C29 C30 H30 . . 119.5
C25 C30 H30 . . 119.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Sn1 C1 . 2.134(2)
Sn1 C5 . 2.130(2)
Sn1 O1 . 2.217(2)
Sn1 O4 . 2.2200(10)
Sn1 O7 . 2.0390(10)
Sn2 C9 . 2.127(2)
Sn2 C13 . 2.124(2)
Sn2 O2 . 2.327(2)
Sn2 O4 2_666 2.6740(10)
Sn2 O7 . 2.0460(10)
Sn2 O7 2_666 2.1480(10)
Sn2 Sn2 2_666 3.2797(3)
O1 C24 . 1.254(3)
O2 C24 . 1.272(3)
O3 C26 . 1.355(3)
O3 H3 . 0.8400
O4 C17 . 1.290(2)
O5 C17 . 1.249(3)
O6 C19 . 1.349(3)
O6 H6 . 0.8400
O7 Sn2 2_666 2.1481(14)
C1 C2 . 1.523(3)
C1 H1A . 0.9900
C1 H1B . 0.9900
C2 C3 . 1.526(3)
C2 H2A . 0.9900
C2 H2B . 0.9900
C3 C4 . 1.522(3)
C3 H3A . 0.9900
C3 H3B . 0.9900
C4 H4A . 0.9800
C4 H4B . 0.9800
C4 H4C . 0.9800
C5 C6 . 1.529(3)
C5 H5A . 0.9900
C5 H5B . 0.9900
C6 C7 . 1.526(3)
C6 H6A . 0.9900
C6 H6B . 0.9900
C7 C8 . 1.511(3)
C7 H7A . 0.9900
C7 H7B . 0.9900
C8 H8A . 0.9800
C8 H8B . 0.9800
C8 H8C . 0.9800
C9 C10 . 1.524(3)
C9 H9A . 0.9900
C9 H9B . 0.9900
C10 C11 . 1.525(3)
C10 H10A . 0.9900
C10 H10B . 0.9900
C11 C12 . 1.528(3)
C11 H11A . 0.9900
C11 H11B . 0.9900
C12 H12A . 0.9800
C12 H12B . 0.9800
C12 H12C . 0.9800
C13 C14 . 1.527(3)
C13 H13A . 0.9900
C13 H13B . 0.9900
C14 C15 . 1.522(3)
C14 H14A . 0.9900
C14 H14B . 0.9900
C15 C16 . 1.524(3)
C15 H15A . 0.9900
C15 H15B . 0.9900
C16 H16A . 0.9800
C16 H16B . 0.9800
C16 H16C . 0.9800
C17 C18 . 1.478(3)
C18 C19 . 1.403(3)
C18 C23 . 1.404(3)
C19 C20 . 1.396(3)
C20 C21 . 1.381(4)
C20 H20 . 0.9500
C21 C22 . 1.395(4)
C21 H21 . 0.9500
C22 C23 . 1.378(3)
C22 H22 . 0.9500
C23 H23 . 0.9500
C24 C25 . 1.481(3)
C25 C26 . 1.398(3)
C25 C30 . 1.403(3)
C26 C27 . 1.396(3)
C27 C28 . 1.376(3)
C27 H27 . 0.9500
C28 C29 . 1.400(3)
C28 H28 . 0.9500
C29 C30 . 1.371(3)
C29 H29 . 0.9500
C30 H30 . 0.9500
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O3 H3 O2 0.84 2.02 2.638(2) 130.3 yes
O6 H6 O5 0.84 1.91 2.548(2) 132.1 yes
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
O7 Sn1 O1 C24 . . -4.1(3)
C5 Sn1 O1 C24 . . 103.0(3)
C1 Sn1 O1 C24 . . -114.1(3)
O4 Sn1 O1 C24 . . -1.5(5)
O7 Sn2 O2 C24 . . -9.13(19)
C13 Sn2 O2 C24 . . -118.38(19)
C9 Sn2 O2 C24 . . 96.44(19)
O7 Sn2 O2 C24 2_666 . -18.4(4)
O4 Sn2 O2 C24 2_666 . 171.42(17)
Sn2 Sn2 O2 C24 2_666 . -10.6(2)
O7 Sn1 O4 C17 . . -176.32(14)
C5 Sn1 O4 C17 . . 77.63(14)
C1 Sn1 O4 C17 . . -66.79(14)
O1 Sn1 O4 C17 . . -178.9(2)
C5 Sn1 O7 Sn2 . . -86.37(12)
C1 Sn1 O7 Sn2 . . 89.20(12)
O1 Sn1 O7 Sn2 . . -0.52(11)
O4 Sn1 O7 Sn2 . . -179.93(12)
C5 Sn1 O7 Sn2 . 2_666 96.30(9)
C1 Sn1 O7 Sn2 . 2_666 -88.14(9)
O1 Sn1 O7 Sn2 . 2_666 -177.85(8)
O4 Sn1 O7 Sn2 . 2_666 2.74(7)
C13 Sn2 O7 Sn1 . . 87.99(12)
C9 Sn2 O7 Sn1 . . -83.77(12)
O7 Sn2 O7 Sn1 2_666 . -177.61(15)
O2 Sn2 O7 Sn1 . . 4.11(11)
O4 Sn2 O7 Sn1 2_666 . -176.69(7)
Sn2 Sn2 O7 Sn1 2_666 . -177.61(15)
C13 Sn2 O7 Sn2 . 2_666 -94.40(8)
C9 Sn2 O7 Sn2 . 2_666 93.84(8)
O7 Sn2 O7 Sn2 2_666 2_666 0.0
O2 Sn2 O7 Sn2 . 2_666 -178.28(6)
O4 Sn2 O7 Sn2 2_666 2_666 0.93(12)
O7 Sn1 C1 C2 . . -106.97(16)
C5 Sn1 C1 C2 . . 66.0(2)
O1 Sn1 C1 C2 . . -18.70(17)
O4 Sn1 C1 C2 . . 173.31(16)
Sn1 C1 C2 C3 . . -170.46(16)
C1 C2 C3 C4 . . -179.8(2)
O7 Sn1 C5 C6 . . -104.35(16)
C1 Sn1 C5 C6 . . 82.5(2)
O1 Sn1 C5 C6 . . 168.54(17)
O4 Sn1 C5 C6 . . -24.11(17)
Sn1 C5 C6 C7 . . 171.31(15)
C5 C6 C7 C8 . . 173.7(2)
O7 Sn2 C9 C10 . . 20.85(16)
C13 Sn2 C9 C10 . . -145.86(15)
O7 Sn2 C9 C10 2_666 . 99.42(15)
O2 Sn2 C9 C10 . . -71.03(15)
O4 Sn2 C9 C10 2_666 . 164.52(16)
Sn2 Sn2 C9 C10 2_666 . 61.98(15)
Sn2 C9 C10 C11 . . -175.14(15)
C9 C10 C11 C12 . . -179.0(2)
O7 Sn2 C13 C14 . . -22.38(17)
C9 Sn2 C13 C14 . . 144.04(15)
O7 Sn2 C13 C14 2_666 . -101.60(15)
O2 Sn2 C13 C14 . . 67.99(15)
O4 Sn2 C13 C14 2_666 . -165.93(16)
Sn2 Sn2 C13 C14 2_666 . -64.28(15)
Sn2 C13 C14 C15 . . 176.22(14)
C13 C14 C15 C16 . . 178.31(19)
Sn1 O4 C17 O5 . . 0.3(2)
Sn1 O4 C17 C18 . . -179.56(14)
O5 C17 C18 C19 . . 4.5(3)
O4 C17 C18 C19 . . -175.62(19)
O5 C17 C18 C23 . . -176.68(19)
O4 C17 C18 C23 . . 3.2(3)
C23 C18 C19 O6 . . -179.8(2)
C17 C18 C19 O6 . . -0.9(3)
C23 C18 C19 C20 . . -0.4(3)
C17 C18 C19 C20 . . 178.5(2)
O6 C19 C20 C21 . . -180.0(2)
C18 C19 C20 C21 . . 0.6(4)
C19 C20 C21 C22 . . -0.4(4)
C20 C21 C22 C23 . . -0.1(4)
C21 C22 C23 C18 . . 0.4(4)
C19 C18 C23 C22 . . -0.1(3)
C17 C18 C23 C22 . . -178.9(2)
Sn1 O1 C24 O2 . . 0.2(4)
Sn1 O1 C24 C25 . . 179.42(19)
Sn2 O2 C24 O1 . . 8.3(3)
Sn2 O2 C24 C25 . . -170.89(14)
O1 C24 C25 C26 . . 170.7(2)
O2 C24 C25 C26 . . -10.0(3)
O1 C24 C25 C30 . . -9.4(3)
O2 C24 C25 C30 . . 169.9(2)
C30 C25 C26 O3 . . 179.1(2)
C24 C25 C26 O3 . . -1.0(3)
C30 C25 C26 C27 . . 1.3(3)
C24 C25 C26 C27 . . -178.9(2)
O3 C26 C27 C28 . . -178.0(2)
C25 C26 C27 C28 . . 0.0(3)
C26 C27 C28 C29 . . -1.2(4)
C27 C28 C29 C30 . . 1.0(4)
C28 C29 C30 C25 . . 0.3(4)
C26 C25 C30 C29 . . -1.4(4)
C24 C25 C30 C29 . . 178.7(2)
