#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/25/2212515.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_2212515
loop_
_publ_author_name
'Yip Foo Win'
'Siang-Guan Teoh'
'Pazilah Ibrahim'
'Shea-Lin Ng'
'Hoong-Kun Fun'
_publ_section_title
;
 Dibutylbis(3,5-dinitrobenzoato-κO)tin(IV) toluene solvate
;
_journal_coeditor_code           CI2300
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m875
_journal_page_last               m877
_journal_paper_doi               10.1107/S1600536807008100
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn (C4 H9)2 (C7 H3 N2 O6)2], C7 H8'
_chemical_formula_moiety         'C22 H24 N4 O12 Sn, C7 H8'
_chemical_formula_sum            'C29 H32 N4 O12 Sn'
_chemical_formula_weight         747.28
_chemical_name_systematic
;
Dibutylbis(3,5-dinitrobenzoato-\kO)tin(IV) toluene solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 131.364(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.4571(10)
_cell_length_b                   7.0328(3)
_cell_length_c                   29.4029(13)
_cell_measurement_reflns_used    6685
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      33.32
_cell_measurement_theta_min      1.33
_cell_volume                     3174.9(3)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material
;
SHELXTL and PLATON (Spek, 2003)
;
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1998)'
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type
;
Bruker SMART APEX2 CCD area-detector
;
_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  0.0650
_diffrn_reflns_av_sigmaI/netI    0.0380
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            98264
_diffrn_reflns_theta_full        33.32
_diffrn_reflns_theta_max         33.32
_diffrn_reflns_theta_min         1.33
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.873
_exptl_absorpt_correction_T_max  0.9147
_exptl_absorpt_correction_T_min  0.8142
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.877
_refine_diff_density_min         -0.435
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     447
_refine_ls_number_reflns         12186
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0324
_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)+(0.0238P)²+2.1069P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0646
_refine_ls_wR_factor_ref         0.0724
_reflns_number_gt                9858
_reflns_number_total             12186
_reflns_threshold_expression     I>2σ(I)'
_cod_data_source_file            ci2300.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 'Monoclinic' changed to 'monoclinic'
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_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2212515
_cod_database_fobs_code          2212515
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Sn Sn1 0.712743(7) 0.178790(15) 0.217209(5) 0.01640(3) Uani d . 1
O O1 0.84805(8) 0.17963(17) 0.22720(6) 0.0207(2) Uani d . 1
O O2 0.74068(8) 0.38823(17) 0.18035(6) 0.0205(2) Uani d . 1
O O3 0.76417(9) 0.96996(19) 0.09787(6) 0.0295(3) Uani d . 1
O O4 0.87987(10) 1.01696(18) 0.11050(7) 0.0302(3) Uani d . 1
O O5 1.06042(8) 0.47573(18) 0.15679(6) 0.0254(3) Uani d . 1
O O6 1.07677(9) 0.2591(2) 0.21607(6) 0.0291(3) Uani d . 1
O O7 0.59726(8) 0.33789(16) 0.17297(5) 0.0191(2) Uani d . 1
O O8 0.59367(8) 0.10322(17) 0.22132(6) 0.0204(2) Uani d . 1
O O9 0.35495(9) 0.0898(2) 0.22366(7) 0.0330(3) Uani d . 1
O O10 0.25371(9) 0.30336(19) 0.17495(8) 0.0334(3) Uani d . 1
O O11 0.30084(9) 0.87194(18) 0.11020(7) 0.0304(3) Uani d . 1
O O12 0.40058(9) 0.87896(18) 0.10397(7) 0.0289(3) Uani d . 1
N N1 0.83429(10) 0.9190(2) 0.11444(7) 0.0216(3) Uani d . 1
N N2 1.04013(9) 0.3986(2) 0.18331(7) 0.0203(3) Uani d . 1
N N3 0.32245(10) 0.2349(2) 0.19340(7) 0.0217(3) Uani d . 1
N N4 0.36059(10) 0.79952(19) 0.11617(7) 0.0211(3) Uani d . 1
C C1 0.82338(11) 0.6231(2) 0.15430(7) 0.0178(3) Uani d . 1
H H1A 0.7745 0.6718 0.1464 0.027(6) Uiso d R 1
C C2 0.86590(11) 0.7270(2) 0.14035(8) 0.0182(3) Uani d . 1
C C3 0.93685(11) 0.6581(2) 0.14918(7) 0.0182(3) Uani d . 1
H H3A 0.9636 0.7285 0.1386 0.027(6) Uiso d R 1
C C4 0.96610(10) 0.4787(2) 0.17459(7) 0.0168(3) Uani d . 1
C C5 0.92861(10) 0.3717(2) 0.19154(7) 0.0168(3) Uani d . 1
H H5A 0.9515 0.2538 0.2100 0.019(5) Uiso d R 1
C C6 0.85582(10) 0.4443(2) 0.18045(7) 0.0164(3) Uani d . 1
C C7 0.81362(11) 0.3282(2) 0.19747(7) 0.0175(3) Uani d . 1
C C8 0.44045(10) 0.2469(2) 0.19104(7) 0.0164(3) Uani d . 1
H H8A 0.4588 0.1273 0.2090 0.021(5) Uiso d R 1
C C9 0.36942(10) 0.3338(2) 0.17835(7) 0.0166(3) Uani d . 1
C C10 0.34083(10) 0.5132(2) 0.15300(7) 0.0177(3) Uani d . 1
H H10A 0.2928 0.5692 0.1447 0.022(5) Uiso d R 1
C C11 0.38710(10) 0.6046(2) 0.14061(7) 0.0168(3) Uani d . 1
C C12 0.45768(10) 0.5230(2) 0.15095(7) 0.0169(3) Uani d . 1
H H12A 0.4866 0.5875 0.1411 0.025(5) Uiso d R 1
C C13 0.48405(10) 0.3423(2) 0.17637(7) 0.0159(3) Uani d . 1
C C14 0.56232(10) 0.2519(2) 0.19118(7) 0.0173(3) Uani d . 1
C C15 0.67434(12) -0.0655(2) 0.16267(9) 0.0250(4) Uani d . 1
H H15A 0.6935 -0.1775 0.1879 0.038(7) Uiso d R 1
H H15B 0.7040 -0.0650 0.1471 0.049(7) Uiso d R 1
C C16 0.57681(13) -0.0812(3) 0.10951(9) 0.0301(4) Uani d . 1
H H16A 0.5474 -0.1006 0.1248 0.042(7) Uiso d R 1
H H16B 0.5558 0.0373 0.0870 0.039(7) Uiso d R 1
C C17 0.55362(14) -0.2442(3) 0.06669(10) 0.0328(4) Uani d . 1
H H17A 0.5731 -0.3634 0.0888 0.027(6) Uiso d R 1
H H17B 0.5839 -0.2266 0.0519 0.036(6) Uiso d R 1
C C18 0.45590(17) -0.2547(4) 0.01298(12) 0.0485(6) Uani d . 1
H H18A 0.4438 -0.3581 -0.0130 0.060(9) Uiso d R 1
H H18B 0.4259 -0.2751 0.0274 0.067(9) Uiso d R 1
H H18C 0.4365 -0.1377 -0.0093 0.076(11) Uiso d R 1
C C19 0.78915(11) 0.2526(2) 0.30973(8) 0.0194(3) Uani d . 1
H H19A 0.8172 0.1383 0.3339 0.020(5) Uiso d R 1
H H19B 0.7504 0.2977 0.3157 0.030(6) Uiso d R 1
C C20 0.85916(11) 0.4032(2) 0.33403(8) 0.0199(3) Uani d . 1
H H20A 0.8320 0.5210 0.3119 0.026(5) Uiso d R 1
H H20B 0.8981 0.3614 0.3279 0.026(6) Uiso d R 1
C C21 0.91106(12) 0.4375(3) 0.40118(8) 0.0253(4) Uani d . 1
H H21A 0.9344 0.3173 0.4226 0.025(5) Uiso d R 1
H H21B 0.8722 0.4858 0.4066 0.033(6) Uiso d R 1
C C22 0.98554(14) 0.5772(3) 0.42894(9) 0.0323(4) Uani d . 1
H H22A 1.0160 0.5931 0.4712 0.027(6) Uiso d R 1
H H22B 1.0250 0.5290 0.4245 0.060(8) Uiso d R 1
H H22C 0.9628 0.6976 0.4087 0.043(7) Uiso d R 1
C C23 0.21418(14) 0.2743(3) 0.02105(9) 0.0327(4) Uani d . 1
H H23A 0.2032 0.1679 0.0338 0.042(7) Uiso d R 1
C C24 0.27805(14) 0.2663(3) 0.01756(9) 0.0335(5) Uani d . 1
H H24A 0.3100 0.1551 0.0283 0.034(6) Uiso d R 1
C C25 0.29501(13) 0.4234(3) -0.00181(9) 0.0315(4) Uani d . 1
H H25A 0.3385 0.4180 -0.0038 0.028(6) Uiso d R 1
C C26 0.24681(13) 0.5890(3) -0.01811(8) 0.0284(4) Uani d . 1
H H26A 0.2574 0.6942 -0.0316 0.030(6) Uiso d R 1
C C27 0.18297(12) 0.5967(3) -0.01439(8) 0.0275(4) Uani d . 1
H H27A 0.1510 0.7079 -0.0253 0.038(7) Uiso d R 1
C C28 0.16559(13) 0.4402(3) 0.00560(9) 0.0294(4) Uani d . 1
C C29 0.09763(16) 0.4512(4) 0.01097(11) 0.0419(5) Uani d . 1
H H29A 0.0945 0.3317 0.0252 0.082(11) Uiso d R 1
H H29B 0.0421 0.4792 -0.0280 0.064(9) Uiso d R 1
H H29C 0.1128 0.5498 0.0391 0.074(10) Uiso d 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'
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_publ_flag
O7 Sn1 C15 105.03(6) y
O7 Sn1 O2 83.49(4) y
C15 Sn1 O2 105.51(6) y
O7 Sn1 C19 103.69(6) y
C15 Sn1 C19 139.57(7) y
O2 Sn1 C19 105.48(6) y
C7 O2 Sn1 101.90(10) ?
C14 O7 Sn1 101.34(10) ?
O3 N1 O4 124.24(15) ?
O3 N1 C2 118.19(14) ?
O4 N1 C2 117.57(14) ?
O6 N2 O5 124.53(15) ?
O6 N2 C4 117.94(14) ?
O5 N2 C4 117.53(14) ?
O9 N3 O10 124.38(15) ?
O9 N3 C9 117.69(14) ?
O10 N3 C9 117.92(14) ?
O12 N4 O11 124.41(14) ?
O12 N4 C11 117.74(14) ?
O11 N4 C11 117.85(14) ?
C2 C1 C6 118.36(15) ?
C2 C1 H1A 120.8 ?
C6 C1 H1A 120.8 ?
C3 C2 C1 123.01(15) ?
C3 C2 N1 117.78(14) ?
C1 C2 N1 119.21(14) ?
C2 C3 C4 116.53(15) ?
C2 C3 H3A 121.7 ?
C4 C3 H3A 121.7 ?
C5 C4 C3 123.10(15) ?
C5 C4 N2 118.78(14) ?
C3 C4 N2 118.11(14) ?
C4 C5 C6 118.55(15) ?
C4 C5 H5A 120.7 ?
C6 C5 H5A 120.7 ?
C1 C6 C5 120.38(14) ?
C1 C6 C7 120.55(14) ?
C5 C6 C7 119.06(14) ?
O1 C7 O2 121.49(15) ?
O1 C7 C6 120.76(15) ?
O2 C7 C6 117.75(14) ?
C9 C8 C13 118.54(14) ?
C9 C8 H8A 120.8 ?
C13 C8 H8A 120.7 ?
C8 C9 C10 122.96(15) ?
C8 C9 N3 119.27(14) ?
C10 C9 N3 117.76(14) ?
C11 C10 C9 116.66(14) ?
C11 C10 H10A 121.7 ?
C9 C10 H10A 121.7 ?
C10 C11 C12 123.08(14) ?
C10 C11 N4 117.85(14) ?
C12 C11 N4 119.06(14) ?
C11 C12 C13 118.29(14) ?
C11 C12 H12A 120.9 ?
C13 C12 H12A 120.8 ?
C12 C13 C8 120.44(14) ?
C12 C13 C14 120.37(14) ?
C8 C13 C14 119.12(14) ?
O8 C14 O7 121.62(14) ?
O8 C14 C13 120.99(14) ?
O7 C14 C13 117.36(14) ?
C16 C15 Sn1 114.56(12) ?
C16 C15 H15A 108.6 ?
Sn1 C15 H15A 108.6 ?
C16 C15 H15B 108.6 ?
Sn1 C15 H15B 108.6 ?
H15A C15 H15B 107.6 ?
C15 C16 C17 112.54(16) ?
C15 C16 H16A 109.1 ?
C17 C16 H16A 109.1 ?
C15 C16 H16B 109.1 ?
C17 C16 H16B 109.1 ?
H16A C16 H16B 107.8 ?
C18 C17 C16 111.75(19) ?
C18 C17 H17A 109.3 ?
C16 C17 H17A 109.3 ?
C18 C17 H17B 109.3 ?
C16 C17 H17B 109.3 ?
H17A C17 H17B 107.9 ?
C17 C18 H18A 109.4 ?
C17 C18 H18B 109.5 ?
H18A C18 H18B 109.5 ?
C17 C18 H18C 109.5 ?
H18A C18 H18C 109.5 ?
H18B C18 H18C 109.5 ?
C20 C19 Sn1 116.01(11) ?
C20 C19 H19A 108.3 ?
Sn1 C19 H19A 108.3 ?
C20 C19 H19B 108.3 ?
Sn1 C19 H19B 108.3 ?
H19A C19 H19B 107.4 ?
C21 C20 C19 110.60(14) ?
C21 C20 H20A 109.5 ?
C19 C20 H20A 109.5 ?
C21 C20 H20B 109.5 ?
C19 C20 H20B 109.5 ?
H20A C20 H20B 108.1 ?
C22 C21 C20 113.08(15) ?
C22 C21 H21A 109.0 ?
C20 C21 H21A 109.0 ?
C22 C21 H21B 108.9 ?
C20 C21 H21B 109.0 ?
H21A C21 H21B 107.7 ?
C21 C22 H22A 109.5 ?
C21 C22 H22B 109.5 ?
H22A C22 H22B 109.5 ?
C21 C22 H22C 109.5 ?
H22A C22 H22C 109.5 ?
H22B C22 H22C 109.5 ?
C24 C23 C28 121.01(19) ?
C24 C23 H23A 119.5 ?
C28 C23 H23A 119.5 ?
C23 C24 C25 120.29(18) ?
C23 C24 H24A 119.8 ?
C25 C24 H24A 119.9 ?
C24 C25 C26 119.7(2) ?
C24 C25 H25A 120.2 ?
C26 C25 H25A 120.1 ?
C27 C26 C25 119.84(18) ?
C27 C26 H26A 120.1 ?
C25 C26 H26A 120.1 ?
C26 C27 C28 121.20(18) ?
C26 C27 H27A 119.4 ?
C28 C27 H27A 119.4 ?
C23 C28 C27 118.0(2) ?
C23 C28 C29 121.14(19) ?
C27 C28 C29 120.90(19) ?
C28 C29 H29A 109.5 ?
C28 C29 H29B 109.4 ?
H29A C29 H29B 109.5 ?
C28 C29 H29C 109.5 ?
H29A C29 H29C 109.5 ?
H29B C29 H29C 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Sn1 O7 2.1127(11) y
Sn1 C15 2.1155(17) y
Sn1 O2 2.1188(12) y
Sn1 C19 2.1197(17) y
O1 C7 1.2404(19) ?
O2 C7 1.2904(19) ?
O3 N1 1.2245(19) ?
O4 N1 1.2249(19) ?
O5 N2 1.2255(18) ?
O6 N2 1.224(2) ?
O7 C14 1.2920(19) ?
O8 C14 1.240(2) ?
O9 N3 1.2221(19) ?
O10 N3 1.2229(19) ?
O11 N4 1.2251(19) ?
O12 N4 1.2237(19) ?
N1 C2 1.474(2) ?
N2 C4 1.471(2) ?
N3 C9 1.471(2) ?
N4 C11 1.474(2) ?
C1 C2 1.389(2) ?
C1 C6 1.392(2) ?
C1 H1A 0.93 ?
C2 C3 1.382(2) ?
C3 C4 1.384(2) ?
C3 H3A 0.93 ?
C4 C5 1.381(2) ?
C5 C6 1.394(2) ?
C5 H5A 0.93 ?
C6 C7 1.495(2) ?
C8 C9 1.381(2) ?
C8 C13 1.393(2) ?
C8 H8A 0.93 ?
C9 C10 1.383(2) ?
C10 C11 1.378(2) ?
C10 H10A 0.93 ?
C11 C12 1.388(2) ?
C12 C13 1.390(2) ?
C12 H12A 0.93 ?
C13 C14 1.495(2) ?
C15 C16 1.521(3) ?
C15 H15A 0.97 ?
C15 H15B 0.97 ?
C16 C17 1.528(3) ?
C16 H16A 0.97 ?
C16 H16B 0.97 ?
C17 C18 1.524(3) ?
C17 H17A 0.97 ?
C17 H17B 0.97 ?
C18 H18A 0.96 ?
C18 H18B 0.96 ?
C18 H18C 0.96 ?
C19 C20 1.527(2) ?
C19 H19A 0.97 ?
C19 H19B 0.97 ?
C20 C21 1.521(2) ?
C20 H20A 0.97 ?
C20 H20B 0.97 ?
C21 C22 1.520(3) ?
C21 H21A 0.97 ?
C21 H21B 0.97 ?
C22 H22A 0.96 ?
C22 H22B 0.96 ?
C22 H22C 0.96 ?
C23 C24 1.378(3) ?
C23 C28 1.400(3) ?
C23 H23A 0.93 ?
C24 C25 1.388(3) ?
C24 H24A 0.93 ?
C25 C26 1.391(3) ?
C25 H25A 0.93 ?
C26 C27 1.382(3) ?
C26 H26A 0.93 ?
C27 C28 1.400(3) ?
C27 H27A 0.93 ?
C28 C29 1.501(3) ?
C29 H29A 0.96 ?
C29 H29B 0.96 ?
C29 H29C 0.96 ?
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
_geom_hbond_publ_flag
C15 H15B O3 1_545 0.97 2.45 3.420(4) 172 y
C19 H19A O5 2_745 0.97 2.60 3.198(3) 120 y
C22 H22C O5 2_755 0.96 2.56 3.458(3) 156 y
C24 H24A O12 1_545 0.93 2.59 3.427(3) 150 y
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
O7 Sn1 O2 C7 -177.17(10)
C15 Sn1 O2 C7 -73.32(11)
C19 Sn1 O2 C7 80.38(11)
C15 Sn1 O7 C14 81.07(11)
O2 Sn1 O7 C14 -174.57(10)
C19 Sn1 O7 C14 -70.18(11)
C6 C1 C2 C3 2.5(3)
C6 C1 C2 N1 -178.08(14)
O3 N1 C2 C3 169.04(16)
O4 N1 C2 C3 -10.4(2)
O3 N1 C2 C1 -10.4(2)
O4 N1 C2 C1 170.07(16)
C1 C2 C3 C4 -1.7(2)
N1 C2 C3 C4 178.88(14)
C2 C3 C4 C5 -0.9(2)
C2 C3 C4 N2 178.53(14)
O6 N2 C4 C5 -14.6(2)
O5 N2 C4 C5 164.86(15)
O6 N2 C4 C3 165.93(16)
O5 N2 C4 C3 -14.6(2)
C3 C4 C5 C6 2.5(2)
N2 C4 C5 C6 -176.90(14)
C2 C1 C6 C5 -0.7(2)
C2 C1 C6 C7 178.79(15)
C4 C5 C6 C1 -1.7(2)
C4 C5 C6 C7 178.82(14)
Sn1 O2 C7 O1 0.90(18)
Sn1 O2 C7 C6 -178.92(11)
C1 C6 C7 O1 -171.35(15)
C5 C6 C7 O1 8.2(2)
C1 C6 C7 O2 8.5(2)
C5 C6 C7 O2 -172.01(15)
C13 C8 C9 C10 -1.5(2)
C13 C8 C9 N3 179.85(14)
O9 N3 C9 C8 9.2(2)
O10 N3 C9 C8 -170.98(16)
O9 N3 C9 C10 -169.54(16)
O10 N3 C9 C10 10.3(2)
C8 C9 C10 C11 -0.1(2)
N3 C9 C10 C11 178.55(15)
C9 C10 C11 C12 1.7(2)
C9 C10 C11 N4 -177.25(14)
O12 N4 C11 C10 -178.46(16)
O11 N4 C11 C10 2.5(2)
O12 N4 C11 C12 2.5(2)
O11 N4 C11 C12 -176.52(16)
C10 C11 C12 C13 -1.6(2)
N4 C11 C12 C13 177.34(14)
C11 C12 C13 C8 -0.1(2)
C11 C12 C13 C14 -177.05(15)
C9 C8 C13 C12 1.6(2)
C9 C8 C13 C14 178.58(14)
Sn1 O7 C14 O8 -6.70(18)
Sn1 O7 C14 C13 171.19(12)
C12 C13 C14 O8 169.94(15)
C8 C13 C14 O8 -7.0(2)
C12 C13 C14 O7 -8.0(2)
C8 C13 C14 O7 175.07(14)
O7 Sn1 C15 C16 -4.51(15)
O2 Sn1 C15 C16 -91.81(14)
C19 Sn1 C15 C16 129.36(14)
Sn1 C15 C16 C17 172.11(14)
C15 C16 C17 C18 -178.66(19)
O7 Sn1 C19 C20 -99.13(12)
C15 Sn1 C19 C20 126.64(13)
O2 Sn1 C19 C20 -12.20(13)
Sn1 C19 C20 C21 -177.99(11)
C19 C20 C21 C22 176.39(16)
C28 C23 C24 C25 -0.4(3)
C23 C24 C25 C26 -0.4(3)
C24 C25 C26 C27 0.6(3)
C25 C26 C27 C28 0.0(3)
C24 C23 C28 C27 1.0(3)
C24 C23 C28 C29 -178.3(2)
C26 C27 C28 C23 -0.8(3)
C26 C27 C28 C29 178.50(19)
