#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/93/2009329.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_2009329
loop_
_publ_author_name
'Lo, Kong Mun'
'Ng, Seik Weng'
_publ_section_title
Bis[1,1,3,3-tetrabutyl-1,3-bis(2,3-diphenylquinoxaline-6-carboxylato)-1,3-distannoxane]
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              IUC9900155
_journal_paper_doi               10.1107/S010827019909839X
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Sn4 (C4 H9)8 (C21 H13 N2 O2)4 O2]'
_chemical_formula_moiety         '[Sn4 (C4 H9)8 (C21 H13 N2 O2)4 O2]'
_chemical_formula_sum            'C116 H124 N8 O10 Sn4'
_chemical_formula_weight         2264.99
_chemical_name_systematic
;
 Octabutyl 1-κ²C,2κ²C,3κ²C,4κ²C-
 tetrakis[μ-(2,3-diphenylquinoxalinyl-8-carboxylato)]-
 1:2κ²O,O';2:3κ²O;3:4κ²O,O';1:4κ²O-
 bis-μ₃-oxo-1:2:3κ³O-tetratin
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.19(2)
_cell_angle_beta                 101.56(2)
_cell_angle_gamma                91.71(2)
_cell_formula_units_Z            1
_cell_length_a                   12.639(6)
_cell_length_b                   13.674(6)
_cell_length_c                   16.599(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      12.0
_cell_measurement_theta_min      8.0
_cell_volume                     2640(2)
_computing_cell_refinement       'CELDIM (Enraf-Nonius, 1988)'
_computing_data_collection       'CAD-4/PC (Kretschmar, 1994)'
_computing_data_reduction        'XCAD4 (Harms, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997b)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       ω-2θ
_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  0.043
_diffrn_reflns_av_sigmaI/netI    0.1093
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9792
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.33
_diffrn_standards_decay_%        3
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.997
_exptl_absorpt_correction_T_max  0.803
_exptl_absorpt_correction_T_min  0.778
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details
'[North et al. (1968) in WinGX (Farrugia, 1998)]'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1156
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.934
_refine_diff_density_min         -0.913
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     544
_refine_ls_number_reflns         9327
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.139
_refine_ls_R_factor_gt           0.070
_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)+(0.0670P)²+4.2110P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.172
_reflns_number_gt                5266
_reflns_number_total             9327
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            qb0138.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.

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.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2009329
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_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
_atom_site_type_symbol
Sn1 -0.03736(5) 0.38418(5) -0.07504(4) 0.0445(2) Uani d . 1 . . Sn
Sn2 -0.15756(5) 0.45437(5) 0.12383(4) 0.0481(2) Uani d . 1 . . Sn
O1 0.0715(5) 0.3935(4) -0.2025(4) 0.050(2) Uani d . 1 . . O
O2 0.1706(6) 0.4087(5) -0.2939(4) 0.068(2) Uani d . 1 A . O
O3 -0.1385(6) 0.2462(5) -0.0776(5) 0.069(2) Uani d . 1 A . O
O4 -0.2372(6) 0.2979(5) 0.0211(5) 0.077(2) Uani d . 1 A . O
O5 -0.0614(5) 0.4701(4) 0.0441(3) 0.046(2) Uani d . 1 . . O
N1 -0.0328(4) 0.1416(3) -0.5796(2) 0.051(2) Uani d G 1 A . N
N2 -0.1767(3) 0.0245(3) -0.5321(3) 0.054(2) Uani d G 1 A . N
N3 -0.3491(3) -0.0743(3) -0.3016(2) 0.049(2) Uani d G 1 A . N
N4 -0.5260(3) -0.1112(3) -0.2356(3) 0.051(2) Uani d G 1 A . N
C1 0.0926(8) 0.2938(8) -0.0601(6) 0.062(3) Uani d D 1 A . C
C2 0.1120(8) 0.2680(9) 0.0238(7) 0.081(3) Uani d D 1 . . C
C3 0.2170(10) 0.2170(10) 0.0353(9) 0.117(5) Uani d D 1 A . C
C4 0.2400(10) 0.1920(10) 0.1200(10) 0.162(8) Uani d D 1 . . C
C5 -0.1597(8) 0.4050(10) -0.1724(8) 0.092(4) Uani d PDU 1.00 A 1 C
C6 -0.2690(10) 0.434(2) -0.1530(10) 0.115(6) Uani d PDU 0.50 A 1 C
C7 -0.360(2) 0.412(3) -0.236(2) 0.106(7) Uani d PDU 0.50 A 1 C
C8 -0.327(4) 0.458(3) -0.301(2) 0.130(10) Uani d PDU 0.50 A 1 C
C6' -0.2800(10) 0.370(2) -0.190(2) 0.115(6) Uani d PD 0.50 A 2 C
C7' -0.347(2) 0.377(2) -0.275(2) 0.106(7) Uani d PD 0.50 A 2 C
C8' -0.347(4) 0.490(3) -0.272(3) 0.130(10) Uani d PD 0.50 A 2 C
C9 -0.3082(8) 0.5106(8) 0.0894(7) 0.074(3) Uani d PDU 1.00 A 3 C
C10 -0.412(2) 0.439(2) 0.0730(10) 0.095(5) Uani d PDU 0.50 A 3 C
C11 -0.418(3) 0.412(3) 0.156(2) 0.122(6) Uani d PDU 0.50 A 3 C
C12 -0.518(2) 0.335(3) 0.138(2) 0.170(10) Uani d PDU 0.50 A 3 C
C10' -0.394(2) 0.506(2) 0.142(2) 0.095(5) Uani d PD 0.50 A 4 C
C11' -0.421(3) 0.392(2) 0.137(2) 0.122(6) Uani d PD 0.50 A 4 C
C12' -0.511(3) 0.338(2) 0.055(2) 0.170(10) Uani d PD 0.50 A 4 C
C13 -0.0894(9) 0.3610(8) 0.1930(6) 0.075(3) Uani d D 1 A . C
C14 0.0020(10) 0.4093(9) 0.2739(8) 0.098(4) Uani d D 1 . . C
C15 0.0370(10) 0.3230(10) 0.3105(9) 0.123(5) Uani d D 1 A . C
C16 0.133(2) 0.355(2) 0.3840(10) 0.230(10) Uani d D 1 . . C
C17 0.0993(8) 0.3617(7) -0.2766(6) 0.051(2) Uani d . 1 . . C
C18 0.0426(4) 0.2597(3) -0.3398(2) 0.050(2) Uani d G 1 A . C
C19 0.0414(3) 0.2399(3) -0.4277(3) 0.049(2) Uani d G 1 . . C
C20 -0.0317(2) 0.1614(2) -0.4918(2) 0.049(2) Uani d G 1 A . C
C21 -0.1036(3) 0.1029(2) -0.4680(2) 0.049(2) Uani d G 1 A . C
C22 -0.1025(4) 0.1228(4) -0.3801(2) 0.063(3) Uani d G 1 A . C
C23 -0.0294(4) 0.2012(4) -0.3160(2) 0.060(3) Uani d G 1 A . C
C24 -0.1059(4) 0.0632(4) -0.6437(2) 0.051(2) Uani d G 1 A . C
C25 -0.1048(6) 0.0599(5) -0.7308(3) 0.052(2) Uani d G 1 . . C
C26 -0.0096(5) 0.0408(5) -0.7606(5) 0.069(3) Uani d G 1 A . C
C27 -0.0066(6) 0.0364(6) -0.8449(5) 0.090(4) Uani d G 1 A . C
C28 -0.0989(8) 0.0512(6) -0.8995(3) 0.091(4) Uani d G 1 A . C
C29 -0.1941(6) 0.0703(6) -0.8698(4) 0.085(4) Uani d G 1 A . C
C30 -0.1970(5) 0.0747(5) -0.7854(5) 0.061(3) Uani d G 1 A . C
C31 -0.1779(4) 0.0046(3) -0.6200(2) 0.050(2) Uani d G 1 A . C
C32 -0.2695(5) -0.0653(4) -0.6778(4) 0.051(2) Uani d G 1 . . C
C33 -0.2552(5) -0.1346(5) -0.7566(4) 0.064(3) Uani d G 1 A . C
C34 -0.3408(7) -0.2065(4) -0.8126(4) 0.078(4) Uani d G 1 A . C
C35 -0.4406(6) -0.2090(5) -0.7898(5) 0.087(4) Uani d G 1 A . C
C36 -0.4548(4) -0.1396(6) -0.7110(5) 0.076(3) Uani d G 1 A . C
C37 -0.3692(6) -0.0678(5) -0.6550(4) 0.062(3) Uani d G 1 A . C
C38 -0.2168(8) 0.2350(7) -0.0450(6) 0.049(2) Uani d . 1 . . C
C39 -0.2914(4) 0.1381(3) -0.0890(3) 0.048(2) Uani d G 1 A . C
C40 -0.2812(3) 0.0735(3) -0.1708(3) 0.054(3) Uani d G 1 . . C
C41 -0.3594(2) -0.0096(2) -0.2197(2) 0.043(2) Uani d G 1 A . C
C42 -0.4478(3) -0.0281(2) -0.1867(2) 0.047(2) Uani d G 1 A . C
C43 -0.4580(4) 0.0366(3) -0.1049(2) 0.057(3) Uani d G 1 A . C
C44 -0.3798(4) 0.1197(3) -0.0560(2) 0.052(2) Uani d G 1 A . C
C45 -0.4273(4) -0.1574(3) -0.3505(2) 0.049(2) Uani d G 1 A . C
C46 -0.3992(5) -0.2293(4) -0.4254(4) 0.051(2) Uani d G 1 . . C
C47 -0.3539(6) -0.1933(4) -0.4814(5) 0.060(3) Uani d G 1 A . C
C48 -0.3269(5) -0.2637(6) -0.5545(4) 0.074(3) Uani d G 1 A . C
C49 -0.3452(6) -0.3700(6) -0.5716(4) 0.071(3) Uani d G 1 A . C
C50 -0.3905(6) -0.4061(4) -0.5156(5) 0.072(3) Uani d G 1 A . C
C51 -0.4175(5) -0.3357(5) -0.4425(4) 0.059(3) Uani d G 1 A . C
C52 -0.5158(3) -0.1759(3) -0.3175(3) 0.053(2) Uani d G 1 A . C
C53 -0.6139(4) -0.2389(5) -0.3693(5) 0.055(3) Uani d G 1 . . C
C54 -0.6560(6) -0.2400(5) -0.4537(5) 0.081(4) Uani d G 1 A . C
C55 -0.7511(7) -0.3026(7) -0.5031(4) 0.102(5) Uani d G 1 A . C
C56 -0.8041(5) -0.3639(6) -0.4682(7) 0.129(7) Uani d G 1 A . C
C57 -0.7620(6) -0.3628(5) -0.3838(7) 0.111(6) Uani d G 1 A . C
C58 -0.6669(6) -0.3003(6) -0.3344(5) 0.078(3) Uani d G 1 A . C
H1A 0.0787 0.2292 -0.1095 0.093 Uiso calc R 1 . . H
H1B 0.1584 0.3310 -0.0616 0.093 Uiso calc R 1 . . H
H2A 0.1163 0.3313 0.0735 0.121 Uiso calc R 1 A . H
H2B 0.0515 0.2213 0.0219 0.121 Uiso calc R 1 . . H
H3A 0.2765 0.2633 0.0356 0.175 Uiso calc R 1 . . H
H3B 0.2113 0.1532 -0.0139 0.175 Uiso calc R 1 . . H
H4A 0.2062 0.2395 0.1621 0.243 Uiso calc R 1 A . H
H4B 0.3167 0.1999 0.1428 0.243 Uiso calc R 1 . . H
H4C 0.2108 0.1221 0.1085 0.243 Uiso calc R 1 . . H
H5A -0.1307 0.4594 -0.1904 0.139 Uiso calc PR 0.50 A 1 H
H5B -0.1724 0.3416 -0.2226 0.139 Uiso calc PR 0.50 A 1 H
H6A -0.2629 0.5069 -0.1185 0.172 Uiso calc PR 0.50 A 1 H
H6B -0.2897 0.3943 -0.1185 0.172 Uiso calc PR 0.50 A 1 H
H7A -0.3776 0.3374 -0.2642 0.158 Uiso calc PR 0.50 A 1 H
H7B -0.4245 0.4414 -0.2193 0.158 Uiso calc PR 0.50 A 1 H
H8A -0.2540 0.4920 -0.2780 0.199 Uiso calc PR 0.50 A 1 H
H8B -0.3754 0.5083 -0.3099 0.199 Uiso calc PR 0.50 A 1 H
H8C -0.3302 0.4037 -0.3557 0.199 Uiso calc PR 0.50 A 1 H
H5'1 -0.1551 0.4797 -0.1618 0.139 Uiso calc PR 0.50 A 2 H
H5'2 -0.1381 0.3736 -0.2273 0.139 Uiso calc PR 0.50 A 2 H
H6'1 -0.3086 0.4120 -0.1411 0.172 Uiso calc PR 0.50 A 2 H
H6'2 -0.2871 0.2982 -0.1914 0.172 Uiso calc PR 0.50 A 2 H
H7'1 -0.3169 0.3366 -0.3239 0.158 Uiso calc PR 0.50 A 2 H
H7'2 -0.4209 0.3473 -0.2847 0.158 Uiso calc PR 0.50 A 2 H
H8'1 -0.2874 0.5324 -0.2270 0.199 Uiso calc PR 0.50 A 2 H
H8'2 -0.4140 0.5160 -0.2601 0.199 Uiso calc PR 0.50 A 2 H
H8'3 -0.3393 0.4940 -0.3276 0.199 Uiso calc PR 0.50 A 2 H
H9A -0.3114 0.5752 0.1356 0.112 Uiso calc PR 0.50 A 3 H
H9B -0.3088 0.5272 0.0368 0.112 Uiso calc PR 0.50 A 3 H
H10A -0.4132 0.3755 0.0245 0.143 Uiso calc PR 0.50 A 3 H
H10B -0.4752 0.4735 0.0578 0.143 Uiso calc PR 0.50 A 3 H
H11A -0.3523 0.3819 0.1731 0.183 Uiso calc PR 0.50 A 3 H
H11B -0.4212 0.4755 0.2033 0.183 Uiso calc PR 0.50 A 3 H
H12A -0.5168 0.3152 0.1880 0.248 Uiso calc PR 0.50 A 3 H
H12B -0.5164 0.2748 0.0881 0.248 Uiso calc PR 0.50 A 3 H
H12C -0.5824 0.3679 0.1257 0.248 Uiso calc PR 0.50 A 3 H
H9'1 -0.2937 0.5826 0.0943 0.112 Uiso calc PR 0.50 A 4 H
H9'2 -0.3396 0.4717 0.0282 0.112 Uiso calc PR 0.50 A 4 H
H10C -0.4594 0.5319 0.1187 0.143 Uiso calc PR 0.50 A 4 H
H10D -0.3671 0.5493 0.2024 0.143 Uiso calc PR 0.50 A 4 H
H11C -0.3568 0.3556 0.1336 0.183 Uiso calc PR 0.50 A 4 H
H11D -0.4450 0.3925 0.1886 0.183 Uiso calc PR 0.50 A 4 H
H12D -0.5291 0.2680 0.0520 0.248 Uiso calc PR 0.50 A 4 H
H12E -0.4861 0.3367 0.0037 0.248 Uiso calc PR 0.50 A 4 H
H12F -0.5741 0.3753 0.0581 0.248 Uiso calc PR 0.50 A 4 H
H13A -0.1474 0.3311 0.2108 0.112 Uiso calc R 1 . . H
H13B -0.0622 0.3039 0.1527 0.112 Uiso calc R 1 . . H
H14A -0.0230 0.4648 0.3173 0.146 Uiso calc R 1 A . H
H14B 0.0629 0.4382 0.2585 0.146 Uiso calc R 1 . . H
H15A -0.0237 0.2992 0.3301 0.184 Uiso calc R 1 . . H
H15B 0.0519 0.2643 0.2638 0.184 Uiso calc R 1 . . H
H16A 0.1484 0.2986 0.4050 0.352 Uiso calc R 1 A . H
H16B 0.1186 0.4137 0.4305 0.352 Uiso calc R 1 . . H
H16C 0.1940 0.3749 0.3644 0.352 Uiso calc R 1 . . H
H19 0.0896 0.2790 -0.4436 0.074 Uiso calc R 1 A . H
H22 -0.1507 0.0836 -0.3642 0.094 Uiso calc R 1 . . H
H23 -0.0287 0.2145 -0.2573 0.090 Uiso calc R 1 . . H
H26 0.0521 0.0309 -0.7240 0.103 Uiso calc R 1 . . H
H27 0.0571 0.0236 -0.8648 0.134 Uiso calc R 1 . . H
H28 -0.0969 0.0482 -0.9560 0.137 Uiso calc R 1 . . H
H29 -0.2558 0.0802 -0.9063 0.128 Uiso calc R 1 . . H
H30 -0.2607 0.0875 -0.7655 0.092 Uiso calc R 1 . . H
H33 -0.1885 -0.1329 -0.7719 0.096 Uiso calc R 1 . . H
H34 -0.3313 -0.2529 -0.8654 0.117 Uiso calc R 1 . . H
H35 -0.4978 -0.2571 -0.8273 0.131 Uiso calc R 1 . . H
H36 -0.5215 -0.1413 -0.6957 0.113 Uiso calc R 1 . . H
H37 -0.3787 -0.0214 -0.6022 0.092 Uiso calc R 1 . . H
H40 -0.2220 0.0858 -0.1929 0.081 Uiso calc R 1 A . H
H43 -0.5172 0.0242 -0.0828 0.085 Uiso calc R 1 . . H
H44 -0.3867 0.1629 -0.0012 0.078 Uiso calc R 1 . . H
H47 -0.3416 -0.1221 -0.4699 0.091 Uiso calc R 1 . . H
H48 -0.2965 -0.2396 -0.5919 0.111 Uiso calc R 1 . . H
H49 -0.3271 -0.4171 -0.6205 0.107 Uiso calc R 1 . . H
H50 -0.4028 -0.4772 -0.5270 0.107 Uiso calc R 1 . . H
H51 -0.4478 -0.3598 -0.4050 0.088 Uiso calc R 1 . . H
H54 -0.6205 -0.1990 -0.4771 0.122 Uiso calc R 1 . . H
H55 -0.7793 -0.3033 -0.5596 0.152 Uiso calc R 1 . . H
H56 -0.8678 -0.4058 -0.5013 0.194 Uiso calc R 1 . . H
H57 -0.7975 -0.4038 -0.3604 0.166 Uiso calc R 1 . . H
H58 -0.6387 -0.2995 -0.2779 0.117 Uiso calc R 1 . . H
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
_geom_angle_publ_flag
C1 Sn1 C5 . . 140.9(5) yes
C1 Sn1 O1 . . 76.4(3) no
C1 Sn1 O3 . . 84.2(3) yes
C1 Sn1 O5 . . 109.9(3) yes
C1 Sn1 O5 . 2_565 96.5(3) yes
C5 Sn1 O1 . . 76.3(4) no
C5 Sn1 O3 . . 90.0(4) yes
C5 Sn1 O5 . . 108.9(4) yes
C5 Sn1 O5 . 2_565 96.6(4) yes
O1 Sn1 O3 . . 126.3(2) no
O1 Sn1 O5 . . 142.0(2) no
O1 Sn1 O5 . 2_565 65.0(2) nos
O3 Sn1 O5 . . 91.7(2) yes
O3 Sn1 O5 . 2_565 168.3(2) yes
O5 Sn1 O5 . 2_565 77.0(2) yes
C9 Sn2 C13 . . 139.9(4) yes
C9 Sn2 O1 . 2_565 95.5(3) yes
C9 Sn2 O2 . 2_565 81.1(3) no
C9 Sn2 O5 . . 109.1(3) yes
C9 Sn2 O4 . . 85.2(4) yes
C13 Sn2 O1 . 2_565 102.0(3) yes
C13 Sn2 O2 . 2_565 83.4(3) no
C13 Sn2 O4 . . 83.5(3) yes
C13 Sn2 O5 . . 109.3(4) yes
O1 Sn2 O2 2_565 2_565 49.6(2) no
O1 Sn2 O4 2_565 . 170.0(2) yes
O1 Sn2 O5 2_565 . 80.3(2) yes
O2 Sn2 O4 2_565 . 140.1(2) no
O2 Sn2 O5 2_565 . 129.8(2) no
O4 Sn2 O5 . . 90.1(2) yes
C17 O1 Sn2 . 2_565 109.5(5) no
C38 O3 Sn1 . . 134.0(6) no
C38 O4 Sn2 . . 136.5(7) no
Sn2 O5 Sn1 . . 136.3(3) no
Sn2 O5 Sn1 . 2_565 120.4(2) no
Sn1 O5 Sn1 . 2_565 103.0(2) no
C2 C1 Sn1 . . 114.5(6) no
C3 C2 C1 . . 110.7(8) no
C2 C3 C4 . . 112.0(10) no
C6 C5 Sn1 . . 120.0(10) no
C5 C6 C7 . . 114.0(10) no
C8 C7 C6 . . 112.0(10) no
C8' C7' C6' . . 111.0(10) no
C10 C9 Sn2 . . 118.0(10) no
C9 C10 C11 . . 110.0(10) no
C12 C11 C10 . . 110.0(10) no
C12' C11' C10' . . 109.0(10) no
C14 C13 Sn2 . . 119.1(7) no
C13 C14 C15 . . 107.5(8) no
C16 C15 C14 . . 114.0(10) no
O2 C17 O1 . . 122.9(8) no
O2 C17 C18 . . 121.4(8) no
O1 C17 C18 . . 115.6(8) no
C18 C19 C20 . . 120.0 no
C19 C18 C23 . . 120.0 no
C19 C18 C17 . . 116.8(5) no
C23 C18 C17 . . 121.0(5) no
C18 C23 C22 . . 120.0 no
C21 C22 C23 . . 120.0 no
C22 C21 C20 . . 120.0 no
C22 C21 N2 . . 120.0 no
C20 C21 N2 . . 120.0 no
N1 C20 C21 . . 120.0 no
N1 C20 C19 . . 120.0 no
C21 C20 C19 . . 120.0 no
C20 N1 C24 . . 120.0 no
N1 C24 C31 . . 120.0 no
N1 C24 C25 . . 113.1(4) no
C31 C24 C25 . . 126.5(4) no
N2 C31 C24 . . 120.0 no
N2 C31 C32 . . 113.1(4) no
C24 C31 C32 . . 126.0(4) no
C31 N2 C21 . . 120.0 no
C26 C25 C30 . . 120.0 no
C26 C25 C24 . . 118.9(5) no
C30 C25 C24 . . 121.1(5) no
C27 C26 C25 . . 120.0 no
C26 C27 C28 . . 120.0 no
C29 C28 C27 . . 120.0 no
C28 C29 C30 . . 120.0 no
C29 C30 C25 . . 120.0 no
C33 C32 C37 . . 120.0 no
C33 C32 C31 . . 118.4(5) no
C37 C32 C31 . . 121.6(5) no
C34 C33 C32 . . 120.0 no
C33 C34 C35 . . 120.0 no
C36 C35 C34 . . 120.0 no
C35 C36 C37 . . 120.0 no
C36 C37 C32 . . 120.0 no
O4 C38 O3 . . 125.4(9) no
O4 C38 C39 . . 117.1(9) no
O3 C38 C39 . . 117.5(8) no
C39 C40 C41 . . 120.0 no
C40 C39 C44 . . 120.0 no
C40 C39 C38 . . 118.4(5) no
C44 C39 C38 . . 120.9(5) no
C39 C44 C43 . . 120.0 no
C42 C43 C44 . . 120.0 no
C43 C42 C41 . . 120.0 no
C43 C42 N4 . . 120.0 no
C41 C42 N4 . . 120.0 no
N3 C41 C42 . . 120.0 no
N3 C41 C40 . . 120.0 no
C42 C41 C40 . . 120.0 no
C45 N3 C41 . . 120.0 no
C52 C45 N3 . . 120.0 no
C52 C45 C46 . . 123.8(4) no
N3 C45 C46 . . 115.2(4) no
C45 C52 N4 . . 120.0 no
C45 C52 C53 . . 124.3(4) no
N4 C52 C53 . . 113.5(4) no
C52 N4 C42 . . 120.0 no
C47 C46 C51 . . 120.0 no
C47 C46 C45 . . 120.2(5) no
C51 C46 C45 . . 119.8(5) no
C46 C47 C48 . . 120.0 no
C47 C48 C49 . . 120.0 no
C50 C49 C48 . . 120.0 no
C51 C50 C49 . . 120.0 no
C50 C51 C46 . . 120.0 no
C54 C53 C58 . . 120.0 no
C54 C53 C52 . . 121.1(6) no
C58 C53 C52 . . 118.9(6) no
C55 C54 C53 . . 120.0 no
C54 C55 C56 . . 120.0 no
C57 C56 C55 . . 120.0 no
C58 C57 C56 . . 120.0 no
C57 C58 C53 . . 120.0 no
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 C1 . 2.109(9) yes
Sn1 C5 . 2.100(10) yes
Sn1 O1 . 2.779(6) no
Sn1 O3 . 2.231(7) yes
Sn1 O5 . 2.030(5) yes
Sn1 O5 2_565 2.172(6) yes
Sn2 C9 . 2.120(10) yes
Sn2 C13 . 2.080(10) yes
Sn2 O1 2_565 2.174(6) yes
Sn2 O2 2_565 2.869(6) no
Sn2 O4 . 2.299(6) yes
Sn2 O5 . 2.022(5) yes
O1 C17 . 1.290(10) no
O2 C17 . 1.220(10) no
O3 C38 . 1.250(10) no
O4 C38 . 1.230(10) no
C1 C2 . 1.522(8) no
C2 C3 . 1.520(9) no
C3 C4 . 1.527(9) no
C5 C6 . 1.520(10) no
C6 C7 . 1.540(10) no
C7 C8 . 1.540(10) no
C6' C7' . 1.540(10) no
C7' C8' . 1.540(10) no
C9 C10 . 1.538(9) no
C10 C11 . 1.540(10) no
C11 C12 . 1.540(10) no
C10' C11' . 1.550(10) no
C11' C12' . 1.540(10) no
C13 C14 . 1.524(8) no
C14 C15 . 1.534(9) no
C15 C16 . 1.479(9) no
C17 O1 . 1.290(10) no
C17 C18 . 1.500(10) no
C19 C18 . 1.3900 no
C19 C20 . 1.3900 no
C18 C23 . 1.3900 no
C23 C22 . 1.3900 no
C22 C21 . 1.3900 no
C21 C20 . 1.3900 no
C21 N2 . 1.3900 no
C20 N1 . 1.3900 no
N1 C24 . 1.3900 no
C24 C31 . 1.3900 no
C24 C25 . 1.434(6) no
C31 N2 . 1.3900 no
C31 C32 . 1.436(6) no
C25 C26 . 1.3900 no
C25 C30 . 1.3900 no
C26 C27 . 1.3900 no
C27 C28 . 1.3900 no
C28 C29 . 1.3900 no
C29 C30 . 1.3900 no
C32 C33 . 1.3900 no
C32 C37 . 1.3900 no
C33 C34 . 1.3900 no
C34 C35 . 1.3900 no
C35 C36 . 1.3900 no
C36 C37 . 1.3900 no
C38 C39 . 1.480(9) no
C40 C39 . 1.3900 no
C40 C41 . 1.3900 no
C39 C44 . 1.3900 no
C44 C43 . 1.3900 no
C43 C42 . 1.3900 no
C42 C41 . 1.3900 no
C42 N4 . 1.3900 no
C41 N3 . 1.3900 no
N3 C45 . 1.3900 no
C45 C52 . 1.3900 no
C45 C46 . 1.426(6) no
C52 N4 . 1.3900 no
C52 C53 . 1.429(6) no
C46 C47 . 1.3900 no
C46 C51 . 1.3900 no
C47 C48 . 1.3900 no
C48 C49 . 1.3900 no
C49 C50 . 1.3900 no
C50 C51 . 1.3900 no
C53 C54 . 1.3900 no
C53 C58 . 1.3900 no
C54 C55 . 1.3900 no
C55 C56 . 1.3900 no
C56 C57 . 1.3900 no
C57 C58 . 1.3900 no
