#------------------------------------------------------------------------------
#$Date: 2019-11-22 18:49:30 +0200 (Fri, 22 Nov 2019) $
#$Revision: 231222 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/62/4516283.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_4516283
loop_
_publ_author_name
'Dong, Yun-Bo'
'Shi, Hua-Yu'
'Yang, Jin'
'Liu, Ying-Ying'
'Ma, Jian-Fang'
_publ_section_title
;
 Molecular Dumbbell, Sandwich, and Paddle-Wheel Assembled with
 Methylresorcin[4]arene Cavitands and Organooxotin Clusters
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1546
_journal_paper_doi               10.1021/acs.cgd.5b00099
_journal_volume                  15
_journal_year                    2015
_chemical_formula_moiety         'C122 H172 O26 Sn4'
_chemical_formula_sum            'C122 H172 O26 Sn4'
_chemical_formula_weight         2529.36
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                106.174(4)
_cell_angle_beta                 92.003(4)
_cell_angle_gamma                93.137(4)
_cell_formula_units_Z            1
_cell_length_a                   12.0410(5)
_cell_length_b                   17.9270(8)
_cell_length_c                   18.1970(8)
_cell_measurement_reflns_used    7201
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.21
_cell_measurement_theta_min      3.27
_cell_volume                     3761.7(3)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.825
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_sigmaI/netI    0.1137
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            26328
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.21
_diffrn_reflns_theta_min         3.27
_exptl_absorpt_coefficient_mu    0.712
_exptl_absorpt_correction_T_max  0.87
_exptl_absorpt_correction_T_min  0.47
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.117
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.356
_refine_diff_density_min         -0.999
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.149
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     675
_refine_ls_number_reflns         16838
_refine_ls_number_restraints     1368
_refine_ls_restrained_S_all      1.171
_refine_ls_R_factor_all          0.1935
_refine_ls_R_factor_gt           0.0963
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1231P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2440
_refine_ls_wR_factor_ref         0.3069
_reflns_number_gt                7201
_reflns_number_total             16838
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            cg5b00099_si_002.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               4516283
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_calc_flag
_atom_site_refinement_flags
Sn2 Sn 0.03496(5) 0.40792(3) 0.48533(4) 0.0710(3) Uani 1 1 d .
Sn1 Sn -0.07751(5) 0.43408(4) 0.32154(4) 0.0791(3) Uani 1 1 d .
C1 C -0.1616(9) 0.5790(7) 0.2870(8) 0.101(2) Uani 1 1 d U
C2 C -0.1973(7) 0.6627(5) 0.3125(5) 0.0735(15) Uani 1 1 d U
H2 H -0.2091 0.6824 0.2679 0.088 Uiso 1 1 calc R
C3 C -0.1022(6) 0.7871(5) 0.3650(5) 0.0681(14) Uani 1 1 d U
C4 C -0.1723(6) 0.8386(5) 0.4088(5) 0.0664(14) Uani 1 1 d U
C5 C -0.1569(6) 0.9155(5) 0.4118(5) 0.0672(14) Uani 1 1 d U
H5 H -0.2042 0.9504 0.4405 0.081 Uiso 1 1 calc R
C6 C -0.0739(6) 0.9437(5) 0.3740(5) 0.0654(14) Uani 1 1 d U
C7 C -0.0043(6) 0.8916(5) 0.3327(5) 0.0690(15) Uani 1 1 d U
C8 C -0.0181(6) 0.8116(5) 0.3260(5) 0.0684(15) Uani 1 1 d U
C9 C 0.0567(8) 0.7548(6) 0.2795(6) 0.092(2) Uani 1 1 d U
H9A H 0.1100 0.7818 0.2565 0.138 Uiso 1 1 calc R
H9B H 0.0130 0.7165 0.2402 0.138 Uiso 1 1 calc R
H9C H 0.0950 0.7296 0.3121 0.138 Uiso 1 1 calc R
C10 C -0.0596(7) 1.0300(5) 0.3771(5) 0.0703(16) Uani 1 1 d U
H10 H 0.0195 1.0413 0.3707 0.084 Uiso 1 1 calc R
C11 C -0.0896(8) 1.0882(5) 0.4525(5) 0.081(2) Uani 1 1 d U
H11A H -0.0772 1.1403 0.4489 0.121 Uiso 1 1 calc R
H11B H -0.0438 1.0816 0.4943 0.121 Uiso 1 1 calc R
H11C H -0.1665 1.0787 0.4614 0.121 Uiso 1 1 calc R
C12 C -0.1245(7) 1.0393(5) 0.3053(5) 0.0695(15) Uani 1 1 d U
C13 C -0.0774(7) 1.0246(5) 0.2360(5) 0.0728(15) Uani 1 1 d U
C14 C 0.0610(7) 0.9284(6) 0.2252(5) 0.0785(17) Uani 1 1 d U
H14A H -0.0020 0.8936 0.1997 0.094 Uiso 1 1 calc R
H14B H 0.1247 0.9155 0.1940 0.094 Uiso 1 1 calc R
C15 C -0.1358(7) 1.0281(5) 0.1690(5) 0.0766(16) Uani 1 1 d U
C16 C -0.0816(9) 1.0106(7) 0.0931(6) 0.103(3) Uani 1 1 d U
H16A H -0.0061 0.9981 0.0999 0.154 Uiso 1 1 calc R
H16B H -0.0822 1.0553 0.0739 0.154 Uiso 1 1 calc R
H16C H -0.1221 0.9672 0.0573 0.154 Uiso 1 1 calc R
C17 C -0.2424(7) 1.0486(5) 0.1766(5) 0.0771(16) Uani 1 1 d U
C18 C -0.2941(7) 1.0654(5) 0.2443(5) 0.0756(15) Uani 1 1 d U
C19 C -0.2339(7) 1.0595(5) 0.3099(5) 0.0694(14) Uani 1 1 d U
H19 H -0.2677 1.0693 0.3565 0.083 Uiso 1 1 calc R
C20 C -0.4160(7) 1.0841(6) 0.2480(5) 0.0809(16) Uani 1 1 d U
H20 H -0.4308 1.1089 0.2074 0.097 Uiso 1 1 calc R
C21 C -0.4452(8) 1.1432(6) 0.3246(6) 0.094(3) Uani 1 1 d U
H21A H -0.5227 1.1528 0.3223 0.142 Uiso 1 1 calc R
H21B H -0.4010 1.1912 0.3319 0.142 Uiso 1 1 calc R
H21C H -0.4298 1.1220 0.3665 0.142 Uiso 1 1 calc R
C22 C -0.4927(7) 1.0092(6) 0.2290(6) 0.0825(16) Uani 1 1 d U
C23 C -0.5204(8) 0.9705(6) 0.1545(6) 0.0869(17) Uani 1 1 d U
C24 C -0.3822(9) 0.9911(7) 0.0720(6) 0.0911(18) Uani 1 1 d U
H24A H -0.3824 0.9836 0.0171 0.109 Uiso 1 1 calc R
H24B H -0.3590 0.9437 0.0821 0.109 Uiso 1 1 calc R
C25 C -0.5876(8) 0.9008(6) 0.1342(6) 0.0928(18) Uani 1 1 d U
C26 C -0.6175(10) 0.8602(8) 0.0496(6) 0.121(3) Uani 1 1 d U
H26A H -0.5865 0.8910 0.0188 0.181 Uiso 1 1 calc R
H26B H -0.6970 0.8543 0.0410 0.181 Uiso 1 1 calc R
H26C H -0.5876 0.8099 0.0358 0.181 Uiso 1 1 calc R
C27 C -0.6199(8) 0.8707(6) 0.1912(6) 0.0882(17) Uani 1 1 d U
C28 C -0.5924(7) 0.9075(6) 0.2674(6) 0.0830(16) Uani 1 1 d U
C29 C -0.5287(7) 0.9756(6) 0.2849(6) 0.0814(15) Uani 1 1 d U
H29 H -0.5084 1.0005 0.3360 0.098 Uiso 1 1 calc R
C30 C -0.6282(7) 0.8678(6) 0.3270(6) 0.0861(18) Uani 1 1 d U
H30 H -0.6978 0.8368 0.3066 0.103 Uiso 1 1 calc R
C31 C -0.6534(8) 0.9241(7) 0.4064(6) 0.103(3) Uani 1 1 d U
H31A H -0.7085 0.9585 0.3991 0.155 Uiso 1 1 calc R
H31B H -0.5863 0.9541 0.4296 0.155 Uiso 1 1 calc R
H31C H -0.6808 0.8943 0.4391 0.155 Uiso 1 1 calc R
C32 C -0.5404(7) 0.8094(6) 0.3340(6) 0.0807(16) Uani 1 1 d U
C33 C -0.5448(7) 0.7354(6) 0.2865(6) 0.0826(17) Uani 1 1 d U
C34 C -0.6389(8) 0.7334(7) 0.1670(7) 0.0967(19) Uani 1 1 d U
H34A H -0.5625 0.7397 0.1535 0.116 Uiso 1 1 calc R
H34B H -0.6764 0.6920 0.1261 0.116 Uiso 1 1 calc R
C35 C -0.4678(7) 0.6845(6) 0.2888(6) 0.0813(17) Uani 1 1 d U
C36 C -0.4739(8) 0.6025(6) 0.2354(7) 0.104(3) Uani 1 1 d U
H36A H -0.4105 0.5762 0.2461 0.156 Uiso 1 1 calc R
H36B H -0.4740 0.6047 0.1832 0.156 Uiso 1 1 calc R
H36C H -0.5409 0.5747 0.2430 0.156 Uiso 1 1 calc R
C37 C -0.3772(7) 0.7090(6) 0.3419(5) 0.0761(15) Uani 1 1 d U
C38 C -0.3682(7) 0.7831(5) 0.3921(5) 0.0711(15) Uani 1 1 d U
C39 C -0.4503(6) 0.8342(5) 0.3887(5) 0.0735(15) Uani 1 1 d U
H39 H -0.4457 0.8842 0.4222 0.088 Uiso 1 1 calc R
C40 C -0.2677(6) 0.8067(5) 0.4495(5) 0.0708(16) Uani 1 1 d U
H40 H -0.2435 0.7592 0.4602 0.085 Uiso 1 1 calc R
C41 C -0.2924(8) 0.8643(6) 0.5271(5) 0.081(2) Uani 1 1 d U
H41A H -0.2257 0.8765 0.5598 0.122 Uiso 1 1 calc R
H41B H -0.3490 0.8410 0.5511 0.122 Uiso 1 1 calc R
H41C H -0.3178 0.9111 0.5184 0.122 Uiso 1 1 calc R
C42 C -0.2487(12) 0.3865(9) 0.3089(7) 0.152(3) Uani 1 1 d DU
H42A H -0.2483 0.3361 0.3188 0.182 Uiso 1 1 calc R
H42B H -0.2883 0.4197 0.3496 0.182 Uiso 1 1 calc R
C43 C -0.3089(13) 0.3769(8) 0.2449(10) 0.182(4) Uani 1 1 d DU
H43A H -0.3143 0.4270 0.2349 0.219 Uiso 1 1 calc R
H43B H -0.3836 0.3573 0.2513 0.219 Uiso 1 1 calc R
C44 C -0.2606(14) 0.3203(10) 0.1755(8) 0.203(4) Uani 1 1 d DU
H44A H -0.2582 0.3421 0.1324 0.244 Uiso 1 1 calc R
H44B H -0.1860 0.3082 0.1881 0.244 Uiso 1 1 calc R
C45 C -0.3386(18) 0.2498(9) 0.1578(12) 0.246(6) Uani 1 1 d DU
H45A H -0.3617 0.2351 0.1044 0.368 Uiso 1 1 calc R
H45B H -0.4026 0.2609 0.1881 0.368 Uiso 1 1 calc R
H45C H -0.3019 0.2080 0.1696 0.368 Uiso 1 1 calc R
C46 C 0.0419(12) 0.4333(9) 0.2413(9) 0.155(3) Uani 1 1 d U
H46A H 0.0802 0.3857 0.2335 0.185 Uiso 1 1 calc R
H46B H 0.0037 0.4315 0.1929 0.185 Uiso 1 1 calc R
C47 C 0.1234(13) 0.4970(11) 0.2593(11) 0.191(4) Uani 1 1 d DU
H47A H 0.1753 0.4902 0.2986 0.229 Uiso 1 1 calc R
H47B H 0.0864 0.5442 0.2812 0.229 Uiso 1 1 calc R
C48 C 0.1946(14) 0.5093(11) 0.1886(12) 0.194(4) Uani 1 1 d DU
H48A H 0.1488 0.4983 0.1414 0.232 Uiso 1 1 calc R
H48B H 0.2301 0.5614 0.2002 0.232 Uiso 1 1 calc R
C49 C 0.2780(15) 0.4491(11) 0.1854(12) 0.236(6) Uani 1 1 d DU
H49A H 0.3245 0.4470 0.1431 0.354 Uiso 1 1 calc R
H49B H 0.2396 0.3992 0.1786 0.354 Uiso 1 1 calc R
H49C H 0.3233 0.4629 0.2323 0.354 Uiso 1 1 calc R
C50 C -0.0812(9) 0.3411(8) 0.5293(8) 0.132(3) Uani 1 1 d U
H50A H -0.0676 0.2866 0.5092 0.159 Uiso 1 1 calc R
H50B H -0.0691 0.3549 0.5846 0.159 Uiso 1 1 calc R
C51 C -0.1943(10) 0.3513(9) 0.5114(9) 0.150(4) Uani 1 1 d U
H51A H -0.2069 0.3355 0.4561 0.180 Uiso 1 1 calc R
H51B H -0.2069 0.4062 0.5296 0.180 Uiso 1 1 calc R
C52 C -0.2836(12) 0.3039(10) 0.5470(10) 0.163(4) Uani 1 1 d U
H52A H -0.2628 0.2505 0.5366 0.195 Uiso 1 1 calc R
H52B H -0.2800 0.3261 0.6022 0.195 Uiso 1 1 calc R
C53 C -0.3891(13) 0.3030(11) 0.5207(11) 0.181(5) Uani 1 1 d U
H53A H -0.4368 0.2737 0.5452 0.272 Uiso 1 1 calc R
H53B H -0.3946 0.2794 0.4663 0.272 Uiso 1 1 calc R
H53C H -0.4115 0.3554 0.5316 0.272 Uiso 1 1 calc R
C54 C 0.2101(10) 0.4038(10) 0.4885(9) 0.155(4) Uani 1 1 d U
H54A H 0.2411 0.4430 0.5339 0.186 Uiso 1 1 calc R
H54B H 0.2282 0.3535 0.4939 0.186 Uiso 1 1 calc R
C55 C 0.2622(14) 0.4155(13) 0.4250(12) 0.207(5) Uani 1 1 d U
H55A H 0.2605 0.4695 0.4252 0.249 Uiso 1 1 calc R
H55B H 0.2237 0.3834 0.3782 0.249 Uiso 1 1 calc R
C56 C 0.3992(14) 0.3905(13) 0.4295(12) 0.208(5) Uani 1 1 d DU
H56A H 0.4350 0.4121 0.4802 0.249 Uiso 1 1 calc R
H56B H 0.4053 0.3346 0.4129 0.249 Uiso 1 1 calc R
C57 C 0.4441(18) 0.4308(14) 0.3713(13) 0.257(7) Uani 1 1 d DU
H57A H 0.5240 0.4348 0.3755 0.385 Uiso 1 1 calc R
H57B H 0.4172 0.4819 0.3816 0.385 Uiso 1 1 calc R
H57C H 0.4191 0.4008 0.3204 0.385 Uiso 1 1 calc R
C58 C -0.0106(11) 0.2565(7) 0.3155(11) 0.168(6) Uani 1 1 d U
H58A H -0.0819 0.2305 0.3196 0.201 Uiso 1 1 calc R
H58B H -0.0026 0.2543 0.2621 0.201 Uiso 1 1 calc R
C59 C 0.0673(19) 0.2213(12) 0.3378(15) 0.253(9) Uani 1 1 d U
H59A H 0.0658 0.1688 0.3054 0.380 Uiso 1 1 calc R
H59B H 0.0568 0.2206 0.3897 0.380 Uiso 1 1 calc R
H59C H 0.1378 0.2479 0.3352 0.380 Uiso 1 1 calc R
C60 C -0.2743(18) 0.7952(17) 0.1350(11) 0.321(13) Uiso 1 1 d DU
H60A H -0.2797 0.8254 0.0985 0.386 Uiso 1 1 calc R
H60B H -0.3307 0.7523 0.1205 0.386 Uiso 1 1 calc R
C61 C -0.1590(15) 0.7647(11) 0.1358(10) 0.201(5) Uiso 1 1 d DU
H61A H -0.1468 0.7304 0.0863 0.301 Uiso 1 1 calc R
H61B H -0.1537 0.7368 0.1737 0.301 Uiso 1 1 calc R
H61C H -0.1038 0.8076 0.1480 0.301 Uiso 1 1 calc R
O1 O -0.1207(6) 0.5533(3) 0.3376(4) 0.0921(19) Uani 1 1 d .
O2 O -0.1726(7) 0.5435(5) 0.2166(5) 0.127(3) Uani 1 1 d .
O3 O -0.2990(5) 0.6560(3) 0.3472(3) 0.0758(16) Uani 1 1 d .
O4 O -0.6388(5) 0.7105(4) 0.2346(5) 0.102(2) Uani 1 1 d .
O5 O -0.6898(5) 0.8018(5) 0.1710(5) 0.113(2) Uani 1 1 d .
O6 O -0.4880(6) 1.0036(5) 0.0958(4) 0.109(2) Uani 1 1 d .
O7 O -0.3031(6) 1.0547(5) 0.1098(4) 0.108(2) Uani 1 1 d .
O8 O 0.0362(4) 1.0072(4) 0.2308(4) 0.088(2) Uani 1 1 d .
O9 O 0.0841(4) 0.9164(4) 0.2969(3) 0.0789(17) Uani 1 1 d .
O10 O -0.1144(4) 0.7088(3) 0.3625(3) 0.0693(15) Uani 1 1 d .
O11 O -0.0082(5) 0.3434(3) 0.3644(4) 0.0879(18) Uani 1 1 d .
O12 O -0.0289(4) 0.4840(3) 0.4323(3) 0.0707(15) Uani 1 1 d .
O13 O -0.2906(11) 0.8435(10) 0.2114(9) 0.250(7) Uani 1 1 d D
H13 H -0.3492 0.8648 0.2115 0.375 Uiso 1 1 calc R
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O12 Sn2 O12 71.9(3) . 2_566
O12 Sn2 C50 116.5(3) . .
O12 Sn2 C50 99.5(5) 2_566 .
O12 Sn2 C54 116.2(4) . .
O12 Sn2 C54 97.1(5) 2_566 .
C50 Sn2 C54 127.3(5) . .
O12 Sn2 O11 72.2(2) . .
O12 Sn2 O11 144.0(2) 2_566 .
C50 Sn2 O11 94.2(5) . .
C54 Sn2 O11 100.7(5) . .
O12 Sn1 C46 116.7(5) . .
O12 Sn1 O1 78.0(2) . .
C46 Sn1 O1 96.9(5) . .
O12 Sn1 C42 111.8(4) . .
C46 Sn1 C42 131.5(6) . .
O1 Sn1 C42 94.6(5) . .
O12 Sn1 O11 73.3(2) . .
C46 Sn1 O11 95.6(5) . .
O1 Sn1 O11 151.3(3) . .
C42 Sn1 O11 96.3(4) . .
O1 C1 O2 125.8(12) . .
O1 C1 C2 116.5(12) . .
O2 C1 C2 117.6(10) . .
O10 C2 O3 113.4(7) . .
O10 C2 C1 108.6(7) . .
O3 C2 C1 103.8(7) . .
C8 C3 C4 122.0(8) . .
C8 C3 O10 118.8(8) . .
C4 C3 O10 119.1(7) . .
C5 C4 C3 118.0(7) . .
C5 C4 C40 122.7(8) . .
C3 C4 C40 119.3(7) . .
C4 C5 C6 122.8(9) . .
C7 C6 C5 117.7(7) . .
C7 C6 C10 120.5(7) . .
C5 C6 C10 121.8(8) . .
C6 C7 O9 120.8(7) . .
C6 C7 C8 121.9(7) . .
O9 C7 C8 117.3(8) . .
C3 C8 C7 117.5(8) . .
C3 C8 C9 120.8(8) . .
C7 C8 C9 121.7(7) . .
C6 C10 C11 115.9(6) . .
C6 C10 C12 106.6(7) . .
C11 C10 C12 113.5(7) . .
C13 C12 C19 118.6(7) . .
C13 C12 C10 121.2(8) . .
C19 C12 C10 120.1(8) . .
C12 C13 C15 122.7(8) . .
C12 C13 O8 119.5(7) . .
C15 C13 O8 117.7(8) . .
O9 C14 O8 112.7(8) . .
C17 C15 C13 116.4(8) . .
C17 C15 C16 122.3(8) . .
C13 C15 C16 121.3(8) . .
C15 C17 C18 124.0(8) . .
C15 C17 O7 117.7(8) . .
C18 C17 O7 118.3(8) . .
C17 C18 C19 118.1(8) . .
C17 C18 C20 121.2(7) . .
C19 C18 C20 120.6(8) . .
C12 C19 C18 120.2(8) . .
C18 C20 C22 110.9(8) . .
C18 C20 C21 114.3(8) . .
C22 C20 C21 111.8(8) . .
C23 C22 C29 117.8(9) . .
C23 C22 C20 119.6(9) . .
C29 C22 C20 122.4(9) . .
C22 C23 O6 119.8(9) . .
C22 C23 C25 121.7(10) . .
O6 C23 C25 118.4(9) . .
O6 C24 O7 112.5(10) . .
C27 C25 C23 117.7(10) . .
C27 C25 C26 122.7(10) . .
C23 C25 C26 119.5(10) . .
C25 C27 C28 122.5(10) . .
C25 C27 O5 117.8(10) . .
C28 C27 O5 119.6(9) . .
C29 C28 C27 118.0(9) . .
C29 C28 C30 123.1(9) . .
C27 C28 C30 118.8(9) . .
C28 C29 C22 122.2(10) . .
C28 C30 C32 108.5(7) . .
C28 C30 C31 115.1(9) . .
C32 C30 C31 112.6(8) . .
C33 C32 C39 118.5(9) . .
C33 C32 C30 122.0(9) . .
C39 C32 C30 119.4(9) . .
C35 C33 C32 123.6(9) . .
C35 C33 O4 118.8(9) . .
C32 C33 O4 117.5(9) . .
O5 C34 O4 114.9(10) . .
C33 C35 C37 118.3(10) . .
C33 C35 C36 122.9(9) . .
C37 C35 C36 118.8(9) . .
C38 C37 O3 119.8(8) . .
C38 C37 C35 121.0(9) . .
O3 C37 C35 119.1(9) . .
C37 C38 C39 119.2(8) . .
C37 C38 C40 118.8(8) . .
C39 C38 C40 122.0(9) . .
C38 C39 C32 119.4(9) . .
C38 C40 C41 114.3(7) . .
C38 C40 C4 107.2(6) . .
C41 C40 C4 112.6(7) . .
C43 C42 Sn1 121.3(11) . .
C42 C43 C44 113.1(12) . .
C45 C44 C43 104.2(8) . .
C47 C46 Sn1 116.6(12) . .
C46 C47 C48 116.3(16) . .
C49 C48 C47 99.4(11) . .
C51 C50 Sn2 114.1(7) . .
C50 C51 C52 114.8(10) . .
C53 C52 C51 115.1(13) . .
C55 C54 Sn2 115.6(11) . .
C54 C55 C56 108.3(15) . .
C57 C56 C55 97.3(15) . .
C59 C58 O11 111.3(15) . .
O13 C60 C61 107.4(9) . .
C1 O1 Sn1 125.0(8) . .
C37 O3 C2 116.7(6) . .
C34 O4 C33 117.3(7) . .
C34 O5 C27 116.4(7) . .
C24 O6 C23 116.0(7) . .
C24 O7 C17 117.2(7) . .
C14 O8 C13 117.1(6) . .
C7 O9 C14 117.2(6) . .
C2 O10 C3 117.4(5) . .
C58 O11 Sn1 122.8(6) . .
C58 O11 Sn2 135.6(6) . .
Sn1 O11 Sn2 101.1(2) . .
Sn1 O12 Sn2 113.3(2) . .
Sn1 O12 Sn2 138.4(3) . 2_566
Sn2 O12 Sn2 108.1(3) . 2_566
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn2 O12 2.043(5) .
Sn2 O12 2.100(6) 2_566
Sn2 C50 2.112(9) .
Sn2 C54 2.114(12) .
Sn2 O11 2.211(7) .
Sn1 O12 2.016(6) .
Sn1 C46 2.083(14) .
Sn1 O1 2.170(5) .
Sn1 C42 2.166(14) .
Sn1 O11 2.180(6) .
C1 O1 1.237(12) .
C1 O2 1.260(14) .
C1 C2 1.532(15) .
C2 O10 1.391(10) .
C2 O3 1.412(9) .
C3 C8 1.377(10) .
C3 C4 1.386(12) .
C3 O10 1.392(9) .
C4 C5 1.367(11) .
C4 C40 1.555(10) .
C5 C6 1.383(10) .
C6 C7 1.371(12) .
C6 C10 1.532(11) .
C7 O9 1.384(9) .
C7 C8 1.405(12) .
C8 C9 1.495(13) .
C10 C11 1.542(13) .
C10 C12 1.553(10) .
C12 C13 1.364(12) .
C12 C19 1.384(11) .
C13 C15 1.406(11) .
C13 O8 1.419(10) .
C14 O9 1.401(9) .
C14 O8 1.437(11) .
C15 C17 1.356(12) .
C15 C16 1.507(13) .
C17 C18 1.365(12) .
C17 O7 1.430(9) .
C18 C19 1.407(10) .
C18 C20 1.523(12) .
C20 C22 1.535(12) .
C20 C21 1.562(14) .
C22 C23 1.359(13) .
C22 C29 1.389(12) .
C23 O6 1.415(11) .
C23 C25 1.401(13) .
C24 O6 1.370(13) .
C24 O7 1.443(12) .
C25 C27 1.355(13) .
C25 C26 1.529(14) .
C27 C28 1.378(13) .
C27 O5 1.408(11) .
C28 C29 1.358(12) .
C28 C30 1.516(12) .
C30 C32 1.556(13) .
C30 C31 1.564(14) .
C32 C33 1.364(13) .
C32 C39 1.411(12) .
C33 C35 1.343(13) .
C33 O4 1.417(11) .
C34 O5 1.384(12) .
C34 O4 1.402(12) .
C35 C37 1.397(12) .
C35 C36 1.516(14) .
C37 C38 1.384(13) .
C37 O3 1.393(10) .
C38 C39 1.396(12) .
C38 C40 1.530(11) .
C40 C41 1.549(13) .
C42 C43 1.314(17) .
C43 C44 1.538(9) .
C44 C45 1.484(9) .
C46 C47 1.421(18) .
C47 C48 1.63(2) .
C48 C49 1.505(9) .
C50 C51 1.422(15) .
C51 C52 1.598(15) .
C52 C53 1.340(18) .
C54 C55 1.394(19) .
C55 C56 1.74(2) .
C56 C57 1.536(10) .
C58 C59 1.27(2) .
C58 O11 1.562(15) .
C60 O13 1.444(10) .
C60 C61 1.521(7) .
O12 Sn2 2.100(6) 2_566
