#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:05:36 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179612 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/76/4507640.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_4507640
loop_
_publ_author_name
'Chandrasekhar, Vadapalli'
'Kundu, Subrata'
'Kumar, Jitendra'
'Verma, Sandeep'
'Gopal, Kandasamy'
'Chaturbedi, Amaresh'
'Subramaniam, Kuppuswamy'
_publ_section_title
;
 Supramolecular Signatures of Adenine-Containing Organostannoxane
 Assemblies
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1665
_journal_paper_doi               10.1021/cg3018776
_journal_volume                  13
_journal_year                    2013
_chemical_formula_moiety         'C60 H105 N15 O6 Sn3, H2 O'
_chemical_formula_sum            'C60 H107 N15 O7 Sn3'
_chemical_formula_weight         1506.68
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 101.941(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.880(5)
_cell_length_b                   30.531(6)
_cell_length_c                   16.747(5)
_cell_measurement_reflns_used    12194
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      4.1
_cell_volume                     6943(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'DIAMOND 3.1 d'
_computing_publication_material  'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       ω
_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  0.0761
_diffrn_reflns_av_sigmaI/netI    0.0902
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            35858
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         4.14
_exptl_absorpt_coefficient_mu    1.130
_exptl_absorpt_correction_T_max  0.8056
_exptl_absorpt_correction_T_min  0.8056
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'North et al, 1968'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             3112
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.146
_refine_diff_density_min         -0.821
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     774
_refine_ls_number_reflns         12194
_refine_ls_number_restraints     156
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0873
_refine_ls_R_factor_gt           0.0556
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0632P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1238
_refine_ls_wR_factor_ref         0.1424
_reflns_number_gt                8489
_reflns_number_total             12194
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg3018776_si_002.cif
_cod_data_source_block           complex2
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4507640
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
C1 C 0.3326(4) 0.6997(2) 0.8017(4) 0.0218(15) Uani 1 1 d D
H1A H 0.3578 0.6737 0.8325 0.026 Uiso 1 1 calc R
H1B H 0.3532 0.6979 0.7499 0.026 Uiso 1 1 calc R
C2 C 0.3838(5) 0.7382(2) 0.8463(5) 0.0321(18) Uani 1 1 d D
H2A H 0.3565 0.7435 0.8943 0.039 Uiso 1 1 calc R
H2B H 0.3700 0.7638 0.8115 0.039 Uiso 1 1 calc R
C2A C 0.5075(5) 0.7668(2) 0.6468(4) 0.0313(18) Uani 1 1 d .
H2A1 H 0.4907 0.7963 0.6422 0.038 Uiso 1 1 calc R
C2B C 0.5694(5) 1.0593(2) 0.6323(4) 0.0309(17) Uani 1 1 d .
H2B1 H 0.5656 1.0897 0.6288 0.037 Uiso 1 1 calc R
C2C C -0.1039(5) 0.9100(2) 0.8405(4) 0.0298(17) Uani 1 1 d .
H2C H -0.0894 0.9397 0.8431 0.036 Uiso 1 1 calc R
C3 C 0.4939(5) 0.7333(2) 0.8727(5) 0.0344(18) Uani 1 1 d D
H3A H 0.5203 0.7241 0.8262 0.041 Uiso 1 1 calc R
H3B H 0.5079 0.7104 0.9136 0.041 Uiso 1 1 calc R
C4 C 0.5465(5) 0.7752(3) 0.9078(5) 0.042(2) Uani 1 1 d .
H4A H 0.6161 0.7698 0.9229 0.064 Uiso 1 1 calc R
H4B H 0.5225 0.7841 0.9551 0.064 Uiso 1 1 calc R
H4C H 0.5341 0.7980 0.8675 0.064 Uiso 1 1 calc R
C4A C 0.4713(4) 0.6987(2) 0.6166(4) 0.0173(14) Uani 1 1 d .
C4B C 0.5009(5) 0.9944(2) 0.6075(4) 0.0233(15) Uani 1 1 d .
C4C C -0.0652(4) 0.8426(2) 0.8751(4) 0.0173(14) Uani 1 1 d .
C5 C 0.1087(5) 0.6487(2) 0.8434(4) 0.0229(15) Uani 1 1 d .
H5A H 0.0561 0.6630 0.8637 0.027 Uiso 1 1 calc R
H5B H 0.0793 0.6256 0.8065 0.027 Uiso 1 1 calc R
C5A C 0.5610(4) 0.6846(2) 0.6621(4) 0.0189(14) Uani 1 1 d .
C5B C 0.5856(5) 0.9729(2) 0.6466(4) 0.0219(15) Uani 1 1 d .
C5C C -0.1510(5) 0.8259(2) 0.8291(4) 0.0200(15) Uani 1 1 d .
C6 C 0.1792(5) 0.6278(2) 0.9154(4) 0.0298(17) Uani 1 1 d .
H6A H 0.2330 0.6143 0.8957 0.036 Uiso 1 1 calc R
H6B H 0.1446 0.6048 0.9380 0.036 Uiso 1 1 calc R
C6A C 0.6268(5) 0.7165(2) 0.7028(4) 0.0217(15) Uani 1 1 d .
C6B C 0.6658(5) 0.9994(2) 0.6802(4) 0.0248(16) Uani 1 1 d .
C6C C -0.2178(5) 0.8567(2) 0.7844(4) 0.0215(15) Uani 1 1 d .
C7 C 0.2218(5) 0.6599(2) 0.9835(4) 0.0301(17) Uani 1 1 d .
H7A H 0.2716 0.6450 1.0235 0.036 Uiso 1 1 calc R
H7B H 0.2539 0.6837 0.9606 0.036 Uiso 1 1 calc R
C8 C 0.1451(5) 0.6789(3) 1.0261(4) 0.0366(19) Uani 1 1 d .
H8A H 0.1761 0.6989 1.0679 0.055 Uiso 1 1 calc R
H8B H 0.1143 0.6557 1.0503 0.055 Uiso 1 1 calc R
H8C H 0.0962 0.6942 0.9872 0.055 Uiso 1 1 calc R
C8A C 0.4850(5) 0.6280(2) 0.6089(4) 0.0264(16) Uani 1 1 d .
H8A1 H 0.4691 0.5991 0.5942 0.032 Uiso 1 1 calc R
C8B C 0.4786(5) 0.9238(2) 0.6031(4) 0.0227(15) Uani 1 1 d .
H8B1 H 0.4478 0.8969 0.5912 0.027 Uiso 1 1 calc R
C8C C -0.0711(5) 0.7718(2) 0.8866(4) 0.0204(15) Uani 1 1 d .
H8C1 H -0.0528 0.7434 0.9033 0.025 Uiso 1 1 calc R
C9 C 0.0730(5) 0.7206(2) 0.6725(4) 0.0265(16) Uani 1 1 d .
H9A H 0.1064 0.7421 0.6452 0.032 Uiso 1 1 calc R
H9B H 0.0513 0.6970 0.6343 0.032 Uiso 1 1 calc R
C10 C -0.0175(5) 0.7421(2) 0.6966(4) 0.0324(18) Uani 1 1 d .
H10A H -0.0502 0.7203 0.7238 0.039 Uiso 1 1 calc R
H10B H 0.0052 0.7653 0.7356 0.039 Uiso 1 1 calc R
C10A C 0.3237(4) 0.6605(2) 0.5311(4) 0.0221(15) Uani 1 1 d .
H10C H 0.3156 0.6333 0.5007 0.026 Uiso 1 1 calc R
H10D H 0.3171 0.6844 0.4920 0.026 Uiso 1 1 calc R
C10B C 0.3323(5) 0.9709(2) 0.5392(4) 0.0252(16) Uani 1 1 d .
H10G H 0.3037 0.9439 0.5146 0.030 Uiso 1 1 calc R
H10H H 0.3315 0.9921 0.4958 0.030 Uiso 1 1 calc R
C10C C 0.0867(4) 0.8089(2) 0.9598(4) 0.0199(15) Uani 1 1 d .
H10E H 0.1034 0.7807 0.9854 0.024 Uiso 1 1 calc R
H10F H 0.0899 0.8305 1.0027 0.024 Uiso 1 1 calc R
C11 C -0.0928(5) 0.7614(2) 0.6259(4) 0.0334(18) Uani 1 1 d .
H11A H -0.1383 0.7798 0.6477 0.040 Uiso 1 1 calc R
H11B H -0.0590 0.7797 0.5932 0.040 Uiso 1 1 calc R
C11A C 0.2440(5) 0.6642(2) 0.5786(4) 0.0236(15) Uani 1 1 d .
H11C H 0.1812 0.6660 0.5406 0.028 Uiso 1 1 calc R
H11D H 0.2532 0.6913 0.6094 0.028 Uiso 1 1 calc R
C11B C 0.2702(5) 0.9883(2) 0.5983(4) 0.0240(16) Uani 1 1 d .
H11G H 0.3020 1.0140 0.6258 0.029 Uiso 1 1 calc R
H11H H 0.2062 0.9971 0.5674 0.029 Uiso 1 1 calc R
C11C C 0.1614(5) 0.8205(2) 0.9089(4) 0.0212(15) Uani 1 1 d .
H11E H 0.2252 0.8245 0.9449 0.025 Uiso 1 1 calc R
H11F H 0.1428 0.8481 0.8814 0.025 Uiso 1 1 calc R
C12 C -0.1508(5) 0.7264(2) 0.5718(4) 0.0357(18) Uani 1 1 d .
H12A H -0.1968 0.7401 0.5283 0.053 Uiso 1 1 calc R
H12B H -0.1858 0.7086 0.6035 0.053 Uiso 1 1 calc R
H12C H -0.1063 0.7083 0.5493 0.053 Uiso 1 1 calc R
C12A C 0.2398(5) 0.6263(2) 0.6380(4) 0.0278(17) Uani 1 1 d .
C12B C 0.2564(5) 0.9551(2) 0.6613(4) 0.0230(15) Uani 1 1 d .
C12C C 0.1703(4) 0.7861(2) 0.8458(4) 0.0166(14) Uani 1 1 d .
C13 C 0.2744(4) 0.8208(2) 0.6277(4) 0.0197(14) Uani 1 1 d .
H13A H 0.3400 0.8293 0.6221 0.024 Uiso 1 1 calc R
H13B H 0.2773 0.7905 0.6456 0.024 Uiso 1 1 calc R
C14 C 0.2054(5) 0.8240(2) 0.5448(4) 0.0261(16) Uani 1 1 d .
H14A H 0.1879 0.8544 0.5338 0.031 Uiso 1 1 calc R
H14B H 0.1454 0.8081 0.5468 0.031 Uiso 1 1 calc R
C15 C 0.2485(5) 0.8058(2) 0.4737(4) 0.0296(17) Uani 1 1 d .
H15A H 0.2718 0.7762 0.4868 0.036 Uiso 1 1 calc R
H15B H 0.1965 0.8044 0.4251 0.036 Uiso 1 1 calc R
C16 C 0.3327(5) 0.8332(2) 0.4552(4) 0.0297(17) Uani 1 1 d .
H16A H 0.3567 0.8201 0.4110 0.045 Uiso 1 1 calc R
H16B H 0.3849 0.8344 0.5028 0.045 Uiso 1 1 calc R
H16C H 0.3096 0.8623 0.4402 0.045 Uiso 1 1 calc R
C17 C 0.0807(4) 0.8797(2) 0.7073(4) 0.0241(15) Uani 1 1 d .
H17A H 0.0431 0.8539 0.7154 0.029 Uiso 1 1 calc R
H17B H 0.0767 0.9000 0.7511 0.029 Uiso 1 1 calc R
C18 C 0.0314(5) 0.9007(2) 0.6276(4) 0.0259(16) Uani 1 1 d .
H18A H 0.0290 0.8798 0.5837 0.031 Uiso 1 1 calc R
H18B H 0.0704 0.9255 0.6168 0.031 Uiso 1 1 calc R
C19 C -0.0724(5) 0.9161(3) 0.6287(4) 0.0331(18) Uani 1 1 d .
H19A H -0.1119 0.8911 0.6379 0.040 Uiso 1 1 calc R
H19B H -0.0701 0.9363 0.6737 0.040 Uiso 1 1 calc R
C20 C -0.1210(5) 0.9384(3) 0.5498(5) 0.041(2) Uani 1 1 d .
H20A H -0.1863 0.9474 0.5531 0.061 Uiso 1 1 calc R
H20B H -0.1244 0.9183 0.5051 0.061 Uiso 1 1 calc R
H20C H -0.0830 0.9635 0.5410 0.061 Uiso 1 1 calc R
C21 C 0.3391(5) 0.8759(2) 0.8257(4) 0.0280(16) Uani 1 1 d .
H21A H 0.3098 0.8965 0.8579 0.034 Uiso 1 1 calc R
H21B H 0.3533 0.8493 0.8577 0.034 Uiso 1 1 calc R
C22 C 0.4367(5) 0.8952(2) 0.8141(4) 0.0295(17) Uani 1 1 d .
H22A H 0.4692 0.8741 0.7852 0.035 Uiso 1 1 calc R
H22B H 0.4235 0.9212 0.7803 0.035 Uiso 1 1 calc R
C23 C 0.5054(5) 0.9071(2) 0.8933(4) 0.0315(17) Uani 1 1 d .
H23A H 0.5173 0.8812 0.9275 0.038 Uiso 1 1 calc R
H23B H 0.4733 0.9286 0.9215 0.038 Uiso 1 1 calc R
C24 C 0.6038(6) 0.9254(3) 0.8830(5) 0.052(2) Uani 1 1 d .
H24A H 0.6435 0.9322 0.9356 0.079 Uiso 1 1 calc R
H24B H 0.5931 0.9516 0.8505 0.079 Uiso 1 1 calc R
H24C H 0.6371 0.9041 0.8563 0.079 Uiso 1 1 calc R
C25 C 0.3881(5) 1.0367(2) 0.8047(4) 0.0324(17) Uani 1 1 d DU
H25A H 0.4088 1.0104 0.7804 0.039 Uiso 1 1 calc R
H25B H 0.4000 1.0614 0.7716 0.039 Uiso 1 1 calc R
C26 C 0.4506(6) 1.0420(3) 0.8893(5) 0.058(2) Uani 1 1 d DU
H26A H 0.4214 1.0645 0.9178 0.069 Uiso 1 1 calc R
H26B H 0.4493 1.0148 0.9189 0.069 Uiso 1 1 calc R
C27 C 0.5539(6) 1.0539(3) 0.8915(6) 0.071(3) Uani 1 1 d DU
H27A H 0.5932 1.0450 0.9439 0.085 Uiso 1 1 calc R
H27B H 0.5768 1.0373 0.8497 0.085 Uiso 1 1 calc R
C28 C 0.5713(9) 1.1003(3) 0.8793(8) 0.104(4) Uani 1 1 d DU
H28A H 0.6401 1.1050 0.8810 0.156 Uiso 1 1 calc R
H28B H 0.5515 1.1171 0.9217 0.156 Uiso 1 1 calc R
H28C H 0.5337 1.1094 0.8272 0.156 Uiso 1 1 calc R
C29 C 0.1223(5) 1.0587(2) 0.7048(5) 0.042(2) Uani 1 1 d DU
H29A H 0.1182 1.0901 0.7120 0.050 Uiso 1 1 calc R
H29B H 0.1410 1.0535 0.6529 0.050 Uiso 1 1 calc R
C30 C 0.0248(7) 1.0392(4) 0.7025(7) 0.111(4) Uani 1 1 d DU
H30A H 0.0024 1.0476 0.7515 0.133 Uiso 1 1 calc R
H30B H 0.0307 1.0075 0.7024 0.133 Uiso 1 1 calc R
C31 C -0.0561(7) 1.0541(4) 0.6240(8) 0.110(4) Uani 1 1 d DU
H31A H -0.0376 1.0445 0.5740 0.132 Uiso 1 1 calc R
H31B H -0.1203 1.0421 0.6260 0.132 Uiso 1 1 calc R
C32 C -0.0570(9) 1.1020(3) 0.6289(6) 0.089(4) Uani 1 1 d DU
H32A H -0.1040 1.1135 0.5835 0.134 Uiso 1 1 calc R
H32B H 0.0073 1.1131 0.6275 0.134 Uiso 1 1 calc R
H32C H -0.0750 1.1107 0.6789 0.134 Uiso 1 1 calc R
C33 C 0.1850(11) 0.9907(3) 0.8840(7) 0.111(5) Uani 1 1 d DU
H33A H 0.1281 0.9759 0.8519 0.133 Uiso 1 1 calc R
H33B H 0.2358 0.9686 0.8973 0.133 Uiso 1 1 calc R
C34 C 0.1595(14) 0.9999(4) 0.9551(7) 0.178(7) Uani 1 1 d DU
H34A H 0.1016 1.0185 0.9440 0.214 Uiso 1 1 calc R
H34B H 0.2123 1.0167 0.9883 0.214 Uiso 1 1 calc R
C35 C 0.1373(14) 0.9602(5) 1.0053(7) 0.182(8) Uani 1 1 d DU
H35A H 0.0691 0.9515 0.9868 0.219 Uiso 1 1 calc R
H35B H 0.1786 0.9357 0.9967 0.219 Uiso 1 1 calc R
C36 C 0.1543(9) 0.9701(3) 1.0879(6) 0.095(4) Uani 1 1 d DU
H36A H 0.1407 0.9448 1.1178 0.143 Uiso 1 1 calc R
H36B H 0.1122 0.9938 1.0967 0.143 Uiso 1 1 calc R
H36C H 0.2219 0.9786 1.1063 0.143 Uiso 1 1 calc R
N1A N 0.5966(4) 0.75884(18) 0.6931(3) 0.0240(13) Uani 1 1 d .
N1B N 0.6561(4) 1.04336(19) 0.6720(3) 0.0297(14) Uani 1 1 d .
N1C N -0.1906(4) 0.89950(18) 0.7921(3) 0.0263(13) Uani 1 1 d .
N3A N 0.4395(4) 0.74039(18) 0.6066(3) 0.0263(13) Uani 1 1 d .
N3B N 0.4875(4) 1.03785(18) 0.5971(3) 0.0253(13) Uani 1 1 d .
N3C N -0.0357(4) 0.88468(17) 0.8850(3) 0.0243(13) Uani 1 1 d .
N6A N 0.7146(4) 0.70831(18) 0.7487(3) 0.0253(13) Uani 1 1 d .
H6A1 H 0.7509 0.7295 0.7715 0.030 Uiso 1 1 calc R
H6A2 H 0.7353 0.6818 0.7558 0.030 Uiso 1 1 calc R
N6B N 0.7531(4) 0.98395(19) 0.7196(4) 0.0391(17) Uani 1 1 d .
H6B1 H 0.8002 1.0018 0.7385 0.047 Uiso 1 1 calc R
H6B2 H 0.7620 0.9562 0.7260 0.047 Uiso 1 1 calc R
N6C N -0.3036(4) 0.84708(18) 0.7376(3) 0.0247(13) Uani 1 1 d .
H6C1 H -0.3406 0.8676 0.7131 0.030 Uiso 1 1 calc R
H6C2 H -0.3227 0.8203 0.7316 0.030 Uiso 1 1 calc R
N7A N 0.5688(4) 0.63906(18) 0.6558(3) 0.0272(14) Uani 1 1 d .
N7B N 0.5704(4) 0.92758(18) 0.6431(3) 0.0258(13) Uani 1 1 d .
N7C N -0.1546(4) 0.78088(17) 0.8371(3) 0.0201(12) Uani 1 1 d .
N9A N 0.4227(4) 0.66181(17) 0.5831(3) 0.0194(12) Uani 1 1 d .
N9B N 0.4319(4) 0.96311(17) 0.5804(3) 0.0214(12) Uani 1 1 d .
N9C N -0.0127(4) 0.80728(17) 0.9117(3) 0.0185(12) Uani 1 1 d .
O1A O 0.2060(3) 0.63279(14) 0.7001(3) 0.0243(11) Uani 1 1 d .
O1B O 0.2319(3) 0.96679(14) 0.7256(3) 0.0269(11) Uani 1 1 d .
O1C O 0.1952(3) 0.79622(13) 0.7812(2) 0.0194(10) Uani 1 1 d .
O1W O 0.7565(5) 0.6183(2) 0.7463(5) 0.074(2) Uani 1 1 d D
O2A O 0.2697(3) 0.58944(15) 0.6178(3) 0.0295(11) Uani 1 1 d .
O2B O 0.2682(3) 0.91546(14) 0.6441(3) 0.0230(10) Uani 1 1 d .
O2C O 0.1507(3) 0.74718(14) 0.8629(3) 0.0201(10) Uani 1 1 d .
Sn1 Sn 0.17426(3) 0.695357(14) 0.77622(3) 0.01910(13) Uani 1 1 d .
Sn2 Sn 0.23189(3) 0.860680(14) 0.71902(3) 0.01943(13) Uani 1 1 d .
Sn3 Sn 0.23393(4) 1.032468(15) 0.80104(3) 0.02947(15) Uani 1 1 d .
H1W H 0.770(6) 0.5935(14) 0.765(5) 0.07(3) Uiso 1 1 d D
H2W H 0.699(3) 0.617(3) 0.722(5) 0.09(4) Uiso 1 1 d D
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_site_symmetry_1
_geom_angle_site_symmetry_3
C2 C1 Sn1 120.5(4) . .
C2 C1 H1A 107.2 . .
Sn1 C1 H1A 107.2 . .
C2 C1 H1B 107.2 . .
Sn1 C1 H1B 107.2 . .
H1A C1 H1B 106.8 . .
C1 C2 C3 114.6(6) . .
C1 C2 H2A 108.6 . .
C3 C2 H2A 108.6 . .
C1 C2 H2B 108.6 . .
C3 C2 H2B 108.6 . .
H2A C2 H2B 107.6 . .
N3A C2A N1A 131.6(6) . .
N3A C2A H2A1 114.2 . .
N1A C2A H2A1 114.2 . .
N3B C2B N1B 129.4(7) . .
N3B C2B H2B1 115.3 . .
N1B C2B H2B1 115.3 . .
N3C C2C N1C 130.4(7) . .
N3C C2C H2C 114.8 . .
N1C C2C H2C 114.8 . .
C2 C3 C4 113.8(6) . .
C2 C3 H3A 108.8 . .
C4 C3 H3A 108.8 . .
C2 C3 H3B 108.8 . .
C4 C3 H3B 108.8 . .
H3A C3 H3B 107.7 . .
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 . .
N3A C4A N9A 127.2(6) . .
N3A C4A C5A 126.6(6) . .
N9A C4A C5A 106.2(5) . .
N3B C4B N9B 125.4(6) . .
N3B C4B C5B 127.4(6) . .
N9B C4B C5B 107.1(6) . .
N3C C4C N9C 125.0(6) . .
N3C C4C C5C 128.9(6) . .
N9C C4C C5C 106.1(5) . .
C6 C5 Sn1 115.0(4) . .
C6 C5 H5A 108.5 . .
Sn1 C5 H5A 108.5 . .
C6 C5 H5B 108.5 . .
Sn1 C5 H5B 108.5 . .
H5A C5 H5B 107.5 . .
C4A C5A N7A 110.0(6) . .
C4A C5A C6A 117.9(6) . .
N7A C5A C6A 132.1(6) . .
C4B C5B C6B 116.4(6) . .
C4B C5B N7B 110.0(6) . .
C6B C5B N7B 133.6(6) . .
C4C C5C N7C 111.0(6) . .
C4C C5C C6C 116.5(6) . .
N7C C5C C6C 132.5(6) . .
C5 C6 C7 114.1(6) . .
C5 C6 H6A 108.7 . .
C7 C6 H6A 108.7 . .
C5 C6 H6B 108.7 . .
C7 C6 H6B 108.7 . .
H6A C6 H6B 107.6 . .
N6A C6A N1A 118.3(6) . .
N6A C6A C5A 125.1(6) . .
N1A C6A C5A 116.6(6) . .
N6B C6B N1B 117.4(6) . .
N6B C6B C5B 124.1(6) . .
N1B C6B C5B 118.6(6) . .
N6C C6C N1C 118.0(6) . .
N6C C6C C5C 125.4(6) . .
N1C C6C C5C 116.6(6) . .
C8 C7 C6 113.3(6) . .
C8 C7 H7A 108.9 . .
C6 C7 H7A 108.9 . .
C8 C7 H7B 108.9 . .
C6 C7 H7B 108.9 . .
H7A C7 H7B 107.7 . .
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 . .
N7A C8A N9A 115.0(6) . .
N7A C8A H8A1 122.5 . .
N9A C8A H8A1 122.5 . .
N7B C8B N9B 114.5(6) . .
N7B C8B H8B1 122.7 . .
N9B C8B H8B1 122.7 . .
N7C C8C N9C 114.7(6) . .
N7C C8C H8C1 122.6 . .
N9C C8C H8C1 122.6 . .
C10 C9 Sn1 112.0(4) . .
C10 C9 H9A 109.2 . .
Sn1 C9 H9A 109.2 . .
C10 C9 H9B 109.2 . .
Sn1 C9 H9B 109.2 . .
H9A C9 H9B 107.9 . .
C11 C10 C9 115.2(6) . .
C11 C10 H10A 108.5 . .
C9 C10 H10A 108.5 . .
C11 C10 H10B 108.5 . .
C9 C10 H10B 108.5 . .
H10A C10 H10B 107.5 . .
N9A C10A C11A 112.7(5) . .
N9A C10A H10C 109.0 . .
C11A C10A H10C 109.0 . .
N9A C10A H10D 109.0 . .
C11A C10A H10D 109.0 . .
H10C C10A H10D 107.8 . .
N9B C10B C11B 111.2(5) . .
N9B C10B H10G 109.4 . .
C11B C10B H10G 109.4 . .
N9B C10B H10H 109.4 . .
C11B C10B H10H 109.4 . .
H10G C10B H10H 108.0 . .
N9C C10C C11C 112.3(5) . .
N9C C10C H10E 109.1 . .
C11C C10C H10E 109.1 . .
N9C C10C H10F 109.1 . .
C11C C10C H10F 109.1 . .
H10E C10C H10F 107.9 . .
C12 C11 C10 112.6(6) . .
C12 C11 H11A 109.1 . .
C10 C11 H11A 109.1 . .
C12 C11 H11B 109.1 . .
C10 C11 H11B 109.1 . .
H11A C11 H11B 107.8 . .
C10A C11A C12A 114.9(5) . .
C10A C11A H11C 108.6 . .
C12A C11A H11C 108.6 . .
C10A C11A H11D 108.6 . .
C12A C11A H11D 108.6 . .
H11C C11A H11D 107.5 . .
C12B C11B C10B 113.0(5) . .
C12B C11B H11G 109.0 . .
C10B C11B H11G 109.0 . .
C12B C11B H11H 109.0 . .
C10B C11B H11H 109.0 . .
H11G C11B H11H 107.8 . .
C10C C11C C12C 113.3(5) . .
C10C C11C H11E 108.9 . .
C12C C11C H11E 108.9 . .
C10C C11C H11F 108.9 . .
C12C C11C H11F 108.9 . .
H11E C11C H11F 107.7 . .
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 . .
O1A C12A O2A 124.5(6) . .
O1A C12A C11A 119.6(6) . .
O2A C12A C11A 115.9(6) . .
O1B C12B O2B 122.8(6) . .
O1B C12B C11B 120.8(6) . .
O2B C12B C11B 116.4(6) . .
O1C C12C O2C 122.9(6) . .
O1C C12C C11C 120.9(5) . .
O2C C12C C11C 116.2(5) . .
C14 C13 Sn2 113.8(4) . .
C14 C13 H13A 108.8 . .
Sn2 C13 H13A 108.8 . .
C14 C13 H13B 108.8 . .
Sn2 C13 H13B 108.8 . .
H13A C13 H13B 107.7 . .
C13 C14 C15 114.3(5) . .
C13 C14 H14A 108.7 . .
C15 C14 H14A 108.7 . .
C13 C14 H14B 108.7 . .
C15 C14 H14B 108.7 . .
H14A C14 H14B 107.6 . .
C16 C15 C14 113.4(5) . .
C16 C15 H15A 108.9 . .
C14 C15 H15A 108.9 . .
C16 C15 H15B 108.9 . .
C14 C15 H15B 108.9 . .
H15A C15 H15B 107.7 . .
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 . .
C18 C17 Sn2 116.8(4) . .
C18 C17 H17A 108.1 . .
Sn2 C17 H17A 108.1 . .
C18 C17 H17B 108.1 . .
Sn2 C17 H17B 108.1 . .
H17A C17 H17B 107.3 . .
C17 C18 C19 112.2(5) . .
C17 C18 H18A 109.2 . .
C19 C18 H18A 109.2 . .
C17 C18 H18B 109.2 . .
C19 C18 H18B 109.2 . .
H18A C18 H18B 107.9 . .
C20 C19 C18 112.3(6) . .
C20 C19 H19A 109.1 . .
C18 C19 H19A 109.1 . .
C20 C19 H19B 109.1 . .
C18 C19 H19B 109.1 . .
H19A C19 H19B 107.9 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C22 C21 Sn2 117.5(4) . .
C22 C21 H21A 107.9 . .
Sn2 C21 H21A 107.9 . .
C22 C21 H21B 107.9 . .
Sn2 C21 H21B 107.9 . .
H21A C21 H21B 107.2 . .
C23 C22 C21 113.3(6) . .
C23 C22 H22A 108.9 . .
C21 C22 H22A 108.9 . .
C23 C22 H22B 108.9 . .
C21 C22 H22B 108.9 . .
H22A C22 H22B 107.7 . .
C22 C23 C24 114.1(6) . .
C22 C23 H23A 108.7 . .
C24 C23 H23A 108.7 . .
C22 C23 H23B 108.7 . .
C24 C23 H23B 108.7 . .
H23A C23 H23B 107.6 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 Sn3 114.3(5) . .
C26 C25 H25A 108.7 . .
Sn3 C25 H25A 108.7 . .
C26 C25 H25B 108.7 . .
Sn3 C25 H25B 108.7 . .
H25A C25 H25B 107.6 . .
C27 C26 C25 114.7(7) . .
C27 C26 H26A 108.6 . .
C25 C26 H26A 108.6 . .
C27 C26 H26B 108.6 . .
C25 C26 H26B 108.6 . .
H26A C26 H26B 107.6 . .
C28 C27 C26 115.0(8) . .
C28 C27 H27A 108.5 . .
C26 C27 H27A 108.5 . .
C28 C27 H27B 108.5 . .
C26 C27 H27B 108.5 . .
H27A C27 H27B 107.5 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C30 C29 Sn3 112.7(6) . .
C30 C29 H29A 109.1 . .
Sn3 C29 H29A 109.1 . .
C30 C29 H29B 109.1 . .
Sn3 C29 H29B 109.1 . .
H29A C29 H29B 107.8 . .
C29 C30 C31 112.9(8) . .
C29 C30 H30A 109.0 . .
C31 C30 H30A 109.0 . .
C29 C30 H30B 109.0 . .
C31 C30 H30B 109.0 . .
H30A C30 H30B 107.8 . .
C32 C31 C30 104.4(8) . .
C32 C31 H31A 110.9 . .
C30 C31 H31A 110.9 . .
C32 C31 H31B 110.9 . .
C30 C31 H31B 110.9 . .
H31A C31 H31B 108.9 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C34 C33 Sn3 130.0(8) . .
C34 C33 H33A 104.8 . .
Sn3 C33 H33A 104.8 . .
C34 C33 H33B 104.8 . .
Sn3 C33 H33B 104.8 . .
H33A C33 H33B 105.8 . .
C33 C34 C35 116.1(11) . .
C33 C34 H34A 108.3 . .
C35 C34 H34A 108.3 . .
C33 C34 H34B 108.3 . .
C35 C34 H34B 108.3 . .
H34A C34 H34B 107.4 . .
C36 C35 C34 111.1(10) . .
C36 C35 H35A 109.4 . .
C34 C35 H35A 109.4 . .
C36 C35 H35B 109.4 . .
C34 C35 H35B 109.4 . .
H35A C35 H35B 108.0 . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C2A N1A C6A 117.8(6) . .
C2B N1B C6B 118.1(6) . .
C2C N1C C6C 118.9(6) . .
C2A N3A C4A 109.5(5) . .
C2B N3B C4B 110.1(6) . .
C2C N3C C4C 108.8(6) . .
C6A N6A H6A1 120.0 . .
C6A N6A H6A2 120.0 . .
H6A1 N6A H6A2 120.0 . .
C6B N6B H6B1 120.0 . .
C6B N6B H6B2 120.0 . .
H6B1 N6B H6B2 120.0 . .
C6C N6C H6C1 120.0 . .
C6C N6C H6C2 120.0 . .
H6C1 N6C H6C2 120.0 . .
C8A N7A C5A 103.3(5) . .
C8B N7B C5B 103.2(5) . .
C8C N7C C5C 103.1(5) . .
C8A N9A C4A 105.5(5) . .
C8A N9A C10A 128.6(6) . .
C4A N9A C10A 125.9(5) . .
C4B N9B C8B 105.0(5) . .
C4B N9B C10B 125.9(6) . .
C8B N9B C10B 129.1(5) . .
C8C N9C C4C 105.0(5) . .
C8C N9C C10C 129.4(5) . .
C4C N9C C10C 125.3(5) . .
C12A O1A Sn1 135.9(4) . .
C12B O1B Sn3 136.7(4) . .
C12C O1C Sn2 136.5(4) . .
H1W O1W H2W 105(5) . .
C12A O2A Sn3 118.8(4) . 2_546
C12B O2B Sn2 122.8(4) . .
C12C O2C Sn1 117.1(4) . .
C5 Sn1 C9 112.9(3) . .
C5 Sn1 C1 117.7(3) . .
C9 Sn1 C1 127.6(3) . .
C5 Sn1 O2C 89.7(2) . .
C9 Sn1 O2C 96.5(2) . .
C1 Sn1 O2C 96.27(19) . .
C5 Sn1 O1A 83.9(2) . .
C9 Sn1 O1A 91.0(2) . .
C1 Sn1 O1A 82.04(19) . .
O2C Sn1 O1A 171.58(15) . .
C21 Sn2 C13 118.6(3) . .
C21 Sn2 C17 121.2(3) . .
C13 Sn2 C17 119.9(2) . .
C21 Sn2 O2B 96.3(2) . .
C13 Sn2 O2B 84.0(2) . .
C17 Sn2 O2B 94.4(2) . .
C21 Sn2 O1C 89.4(2) . .
C13 Sn2 O1C 87.5(2) . .
C17 Sn2 O1C 88.2(2) . .
O2B Sn2 O1C 171.34(15) . .
C33 Sn3 C25 118.6(5) . .
C33 Sn3 C29 116.2(5) . .
C25 Sn3 C29 124.3(3) . .
C33 Sn3 O2A 91.1(3) . 2_556
C25 Sn3 O2A 94.9(2) . 2_556
C29 Sn3 O2A 93.6(2) . 2_556
C33 Sn3 O1B 82.5(3) . .
C25 Sn3 O1B 88.2(2) . .
C29 Sn3 O1B 89.3(2) . .
O2A Sn3 O1B 173.58(16) 2_556 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.493(8) .
C1 Sn1 2.155(6) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 C3 1.508(9) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C2A N3A 1.316(8) .
C2A N1A 1.339(8) .
C2A H2A1 0.9300 .
C2B N3B 1.338(8) .
C2B N1B 1.340(9) .
C2B H2B1 0.9300 .
C2C N3C 1.325(8) .
C2C N1C 1.343(8) .
C2C H2C 0.9300 .
C3 C4 1.529(9) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C4A N3A 1.347(8) .
C4A N9A 1.371(8) .
C4A C5A 1.386(8) .
C4B N3B 1.346(8) .
C4B N9B 1.362(8) .
C4B C5B 1.386(9) .
C4C N3C 1.350(8) .
C4C N9C 1.372(8) .
C4C C5C 1.375(8) .
C5 C6 1.526(9) .
C5 Sn1 2.133(6) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C5A N7A 1.399(8) .
C5A C6A 1.412(9) .
C5B C6B 1.396(9) .
C5B N7B 1.400(8) .
C5C N7C 1.383(8) .
C5C C6C 1.419(9) .
C6 C7 1.527(9) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C6A N6A 1.323(8) .
C6A N1A 1.357(8) .
C6B N6B 1.339(8) .
C6B N1B 1.354(8) .
C6C N6C 1.316(8) .
C6C N1C 1.360(8) .
C7 C8 1.515(9) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C8A N7A 1.306(8) .
C8A N9A 1.359(8) .
C8A H8A1 0.9300 .
C8B N7B 1.315(8) .
C8B N9B 1.379(8) .
C8B H8B1 0.9300 .
C8C N7C 1.308(8) .
C8C N9C 1.365(8) .
C8C H8C1 0.9300 .
C9 C10 1.543(9) .
C9 Sn1 2.140(6) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.526(9) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C10A N9A 1.468(8) .
C10A C11A 1.494(8) .
C10A H10C 0.9700 .
C10A H10D 0.9700 .
C10B N9B 1.432(8) .
C10B C11B 1.535(9) .
C10B H10G 0.9700 .
C10B H10H 0.9700 .
C10C N9C 1.448(7) .
C10C C11C 1.513(8) .
C10C H10E 0.9700 .
C10C H10F 0.9700 .
C11 C12 1.521(9) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C11A C12A 1.536(9) .
C11A H11C 0.9700 .
C11A H11D 0.9700 .
C11B C12B 1.502(9) .
C11B H11G 0.9700 .
C11B H11H 0.9700 .
C11C C12C 1.514(9) .
C11C H11E 0.9700 .
C11C H11F 0.9700 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C12A O1A 1.242(8) .
C12A O2A 1.269(8) .
C12B O1B 1.247(8) .
C12B O2B 1.263(8) .
C12C O1C 1.242(7) .
C12C O2C 1.264(7) .
C13 C14 1.517(9) .
C13 Sn2 2.131(6) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C15 1.543(9) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.519(9) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.511(8) .
C17 Sn2 2.147(6) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C19 1.518(9) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.516(9) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 C22 1.527(9) .
C21 Sn2 2.127(6) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.510(9) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.519(10) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C26 1.510(8) .
C25 Sn3 2.132(7) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C27 1.471(9) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.460(10) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 C30 1.471(10) .
C29 Sn3 2.147(7) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 C31 1.608(11) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.465(11) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 C34 1.340(11) .
C33 Sn3 2.099(8) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C35 1.543(11) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C36 1.387(11) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
N6A H6A1 0.8600 .
N6A H6A2 0.8600 .
N6B H6B1 0.8600 .
N6B H6B2 0.8600 .
N6C H6C1 0.8600 .
N6C H6C2 0.8600 .
O1A Sn1 2.387(4) .
O1B Sn3 2.367(4) .
O1C Sn2 2.331(4) .
O1W H1W 0.83(2) .
O1W H2W 0.82(2) .
O2A Sn3 2.214(4) 2_546
O2B Sn2 2.210(4) .
O2C Sn1 2.216(4) .
Sn3 O2A 2.214(4) 2_556
