#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:29:40 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179847 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/43/7014306.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_7014306
loop_
_publ_author_name
'Chandrasekhar, Vadapalli'
'Singh, Puja'
_publ_section_title
;
 Reactions of in situ generated hydrated organotin cations with
 chelating O,O- or O,N-ligands: a possible structure-directing
 influence of the organic substituent on tin.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              114
_journal_page_last               123
_journal_paper_doi               10.1039/c003339a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C42 H40 N4 O14 S2 Sn'
_chemical_formula_weight         1007.59
_chemical_name_common            'organotin sulfonate'
_chemical_name_systematic
;
?
;
_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                92.530(5)
_cell_angle_beta                 103.242(5)
_cell_angle_gamma                100.479(5)
_cell_formula_units_Z            2
_cell_length_a                   10.526(5)
_cell_length_b                   11.739(5)
_cell_length_c                   18.285(5)
_cell_measurement_reflns_used    4115
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.79
_cell_measurement_theta_min      2.20
_cell_volume                     2153.9(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            10866
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    0.763
_exptl_absorpt_correction_T_max  0.959
_exptl_absorpt_correction_T_min  0.925
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocklike
_exptl_crystal_F_000             1028
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.305
_refine_diff_density_min         -0.415
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     592
_refine_ls_number_reflns         7408
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0473
_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)+(0.0807P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1244
_refine_ls_wR_factor_ref         0.1356
_reflns_number_gt                6111
_reflns_number_total             7408
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C003339A.TXT
_cod_data_source_block           4sepam
_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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_database_code               7014306
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.59481(3) 0.16588(2) 0.762858(15) 0.03375(12) Uani 1 1 d . . .
S1 S 0.80553(13) 0.68458(11) 0.54717(8) 0.0516(3) Uani 1 1 d . . .
S2 S 0.47378(14) 0.57682(10) 0.81861(6) 0.0469(3) Uani 1 1 d . . .
O1 O 0.6543(3) 0.0708(2) 0.87368(15) 0.0380(7) Uani 1 1 d . . .
O2 O 0.5700(3) 0.2758(2) 0.86308(15) 0.0367(7) Uani 1 1 d . . .
O3 O 0.5719(3) 0.1517(2) 0.63609(15) 0.0375(7) Uani 1 1 d . . .
O4 O 0.6655(3) -0.0032(2) 0.73190(15) 0.0363(7) Uani 1 1 d . . .
O5 O 0.5200(4) 0.3235(3) 0.71940(18) 0.0486(8) Uani 1 1 d D . .
H101 H 0.508(6) 0.350(4) 0.7541(19) 0.058 Uiso 1 1 d D . .
H102 H 0.528(6) 0.366(3) 0.692(2) 0.058 Uiso 1 1 d D . .
O6 O 0.6856(4) 0.5991(3) 0.5321(2) 0.0736(11) Uani 1 1 d . . .
O7 O 0.8284(4) 0.7508(4) 0.6215(2) 0.0756(11) Uani 1 1 d . . .
O8 O 0.8191(4) 0.7586(3) 0.4891(2) 0.0749(12) Uani 1 1 d . . .
O9 O 0.3860(3) 0.4668(3) 0.78450(17) 0.0512(8) Uani 1 1 d . . .
O10 O 0.5819(4) 0.6075(3) 0.7819(2) 0.0670(10) Uani 1 1 d . . .
O11 O 0.4030(5) 0.6700(3) 0.8256(2) 0.0716(12) Uani 1 1 d . . .
O12 O 0.5376(5) 0.4231(3) 0.5931(2) 0.0721(12) Uani 1 1 d D . .
H103 H 0.585(5) 0.474(4) 0.584(4) 0.086 Uiso 1 1 d D . .
H104 H 0.486(5) 0.451(5) 0.607(4) 0.086 Uiso 1 1 d D . .
O13 O 0.8372(5) 0.6964(5) 0.7678(3) 0.0814(13) Uani 1 1 d D . .
H105 H 0.768(3) 0.666(6) 0.763(4) 0.098 Uiso 1 1 d D . .
H106 H 0.845(7) 0.716(6) 0.730(2) 0.098 Uiso 1 1 d D . .
O14 O 0.8270(5) 0.8936(4) 0.8558(2) 0.0829(14) Uani 1 1 d D . .
H107 H 0.843(7) 0.842(4) 0.833(3) 0.099 Uiso 1 1 d D . .
H108 H 0.776(6) 0.915(6) 0.825(3) 0.099 Uiso 1 1 d D . .
N1 N 0.7348(4) 0.1292(3) 0.93615(19) 0.0369(8) Uani 1 1 d . . .
N2 N 0.4878(4) 0.2282(3) 0.90423(19) 0.0382(8) Uani 1 1 d . . .
N3 N 0.6781(4) 0.1420(3) 0.60930(19) 0.0355(8) Uani 1 1 d . . .
N4 N 0.5946(3) -0.0811(3) 0.67551(18) 0.0333(8) Uani 1 1 d . . .
C1 C 0.3969(4) 0.0707(4) 0.7408(2) 0.0361(9) Uani 1 1 d . . .
C2 C 0.3031(5) 0.0974(4) 0.6812(3) 0.0559(13) Uani 1 1 d . . .
H2 H 0.3264 0.1573 0.6523 0.067 Uiso 1 1 calc R . .
C3 C 0.1741(6) 0.0340(6) 0.6650(4) 0.0774(19) Uani 1 1 d . . .
H3 H 0.1110 0.0538 0.6257 0.093 Uiso 1 1 calc R . .
C4 C 0.1368(6) -0.0551(6) 0.7041(4) 0.086(2) Uani 1 1 d . . .
H4 H 0.0494 -0.0963 0.6921 0.103 Uiso 1 1 calc R . .
C5 C 0.2302(7) -0.0842(6) 0.7620(4) 0.085(2) Uani 1 1 d . . .
H5 H 0.2062 -0.1467 0.7889 0.102 Uiso 1 1 calc R . .
C6 C 0.3593(5) -0.0219(5) 0.7808(3) 0.0592(14) Uani 1 1 d . . .
H6 H 0.4215 -0.0421 0.8204 0.071 Uiso 1 1 calc R . .
C7 C 0.7958(4) 0.2533(4) 0.7798(2) 0.0364(10) Uani 1 1 d . . .
C8 C 0.8947(5) 0.1954(4) 0.7705(3) 0.0479(12) Uani 1 1 d . . .
H8 H 0.8758 0.1146 0.7632 0.057 Uiso 1 1 calc R . .
C9 C 1.0231(5) 0.2557(5) 0.7717(3) 0.0588(14) Uani 1 1 d . . .
H9 H 1.0882 0.2160 0.7637 0.071 Uiso 1 1 calc R . .
C10 C 1.0504(6) 0.3747(6) 0.7849(3) 0.0730(18) Uani 1 1 d . . .
H10 H 1.1355 0.4160 0.7866 0.088 Uiso 1 1 calc R . .
C11 C 0.9570(7) 0.4315(5) 0.7951(4) 0.0775(19) Uani 1 1 d . . .
H11 H 0.9781 0.5122 0.8037 0.093 Uiso 1 1 calc R . .
C12 C 0.8274(6) 0.3736(4) 0.7934(3) 0.0602(14) Uani 1 1 d . . .
H12 H 0.7636 0.4151 0.8011 0.072 Uiso 1 1 calc R . .
C13 C 0.8653(5) 0.1284(4) 0.9501(3) 0.0456(11) Uani 1 1 d . . .
H13 H 0.8995 0.0939 0.9141 0.055 Uiso 1 1 calc R . .
C14 C 0.9501(5) 0.1793(5) 1.0187(3) 0.0607(14) Uani 1 1 d . . .
H14 H 1.0408 0.1791 1.0286 0.073 Uiso 1 1 calc R . .
C15 C 0.8974(6) 0.2306(5) 1.0722(3) 0.0638(15) Uani 1 1 d . . .
H15 H 0.9517 0.2639 1.1185 0.077 Uiso 1 1 calc R . .
C16 C 0.7650(6) 0.2306(4) 1.0551(3) 0.0523(13) Uani 1 1 d . . .
H16 H 0.7292 0.2645 1.0906 0.063 Uiso 1 1 calc R . .
C17 C 0.6824(5) 0.1824(4) 0.9874(2) 0.0380(10) Uani 1 1 d . . .
C18 C 0.5405(5) 0.1815(4) 0.9679(2) 0.0396(10) Uani 1 1 d . . .
C19 C 0.4558(5) 0.1425(4) 1.0145(3) 0.0507(12) Uani 1 1 d . . .
H19 H 0.4898 0.1119 1.0592 0.061 Uiso 1 1 calc R . .
C20 C 0.3251(6) 0.1487(5) 0.9954(3) 0.0591(14) Uani 1 1 d . . .
H20 H 0.2696 0.1227 1.0267 0.071 Uiso 1 1 calc R . .
C21 C 0.2764(5) 0.1935(4) 0.9297(3) 0.0569(13) Uani 1 1 d . . .
H21 H 0.1863 0.1954 0.9151 0.068 Uiso 1 1 calc R . .
C22 C 0.3590(5) 0.2358(4) 0.8849(3) 0.0448(11) Uani 1 1 d . . .
H22 H 0.3259 0.2696 0.8413 0.054 Uiso 1 1 calc R . .
C23 C 0.7594(5) 0.2396(4) 0.5989(3) 0.0496(12) Uani 1 1 d . . .
H23 H 0.7465 0.3123 0.6145 0.060 Uiso 1 1 calc R . .
C24 C 0.8615(6) 0.2309(5) 0.5652(3) 0.0619(15) Uani 1 1 d . . .
H24 H 0.9181 0.2981 0.5585 0.074 Uiso 1 1 calc R . .
C25 C 0.8810(6) 0.1268(5) 0.5416(3) 0.0641(15) Uani 1 1 d . . .
H25 H 0.9481 0.1219 0.5169 0.077 Uiso 1 1 calc R . .
C26 C 0.7992(5) 0.0263(5) 0.5548(3) 0.0527(12) Uani 1 1 d . . .
H26 H 0.8126 -0.0464 0.5397 0.063 Uiso 1 1 calc R . .
C27 C 0.6989(4) 0.0348(4) 0.5899(2) 0.0378(10) Uani 1 1 d . . .
C28 C 0.6073(4) -0.0670(3) 0.6041(2) 0.0339(9) Uani 1 1 d . . .
C29 C 0.5418(5) -0.1537(4) 0.5479(2) 0.0435(11) Uani 1 1 d . . .
H29 H 0.5503 -0.1455 0.4989 0.052 Uiso 1 1 calc R . .
C30 C 0.4640(5) -0.2520(4) 0.5637(3) 0.0526(13) Uani 1 1 d . . .
H30 H 0.4186 -0.3098 0.5254 0.063 Uiso 1 1 calc R . .
C31 C 0.4536(5) -0.2643(4) 0.6367(3) 0.0528(13) Uani 1 1 d . . .
H31 H 0.4019 -0.3309 0.6482 0.063 Uiso 1 1 calc R . .
C32 C 0.5203(5) -0.1776(4) 0.6923(3) 0.0464(12) Uani 1 1 d . . .
H32 H 0.5139 -0.1856 0.7418 0.056 Uiso 1 1 calc R . .
C33 C 0.9479(5) 0.5310(4) 0.4971(3) 0.0423(11) Uani 1 1 d . . .
C34 C 0.9363(5) 0.6032(4) 0.5577(3) 0.0527(13) Uani 1 1 d . . .
C35 C 1.0271(5) 0.6118(5) 0.6249(3) 0.0595(14) Uani 1 1 d . . .
H35 H 1.0203 0.6597 0.6651 0.071 Uiso 1 1 calc R . .
C36 C 1.1313(5) 0.5493(4) 0.6345(3) 0.0522(12) Uani 1 1 d . . .
H36 H 1.1907 0.5552 0.6814 0.063 Uiso 1 1 calc R . .
C37 C 1.1468(5) 0.4811(4) 0.5772(3) 0.0530(13) Uani 1 1 d . . .
H37 H 1.2172 0.4417 0.5846 0.064 Uiso 1 1 calc R . .
C38 C 0.5488(5) 0.5485(4) 0.9119(3) 0.0441(11) Uani 1 1 d . . .
C39 C 0.6821(6) 0.5578(4) 0.9320(3) 0.0533(13) Uani 1 1 d . . .
H39 H 0.7328 0.5822 0.8980 0.064 Uiso 1 1 calc R . .
C40 C 0.7449(6) 0.5312(5) 1.0032(3) 0.0565(13) Uani 1 1 d . . .
H40 H 0.8368 0.5375 1.0161 0.068 Uiso 1 1 calc R . .
C41 C 0.6722(5) 0.4959(4) 1.0546(3) 0.0473(11) Uani 1 1 d . . .
H41 H 0.7156 0.4780 1.1017 0.057 Uiso 1 1 calc R . .
C42 C 0.5319(5) 0.4862(4) 1.0369(2) 0.0401(10) Uani 1 1 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'
S S 0.1246 0.1234 '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
_geom_angle_publ_flag
C1 Sn1 C7 176.20(15) . . ?
C1 Sn1 O5 90.29(16) . . ?
C7 Sn1 O5 91.52(16) . . ?
C1 Sn1 O3 86.83(13) . . ?
C7 Sn1 O3 90.51(13) . . ?
O5 Sn1 O3 72.86(11) . . ?
C1 Sn1 O2 92.81(14) . . ?
C7 Sn1 O2 90.93(14) . . ?
O5 Sn1 O2 72.00(11) . . ?
O3 Sn1 O2 144.85(10) . . ?
C1 Sn1 O4 89.67(14) . . ?
C7 Sn1 O4 86.96(14) . . ?
O5 Sn1 O4 145.73(11) . . ?
O3 Sn1 O4 72.93(10) . . ?
O2 Sn1 O4 142.21(10) . . ?
C1 Sn1 O1 90.74(14) . . ?
C7 Sn1 O1 89.82(14) . . ?
O5 Sn1 O1 143.22(11) . . ?
O3 Sn1 O1 143.90(10) . . ?
O2 Sn1 O1 71.23(10) . . ?
O4 Sn1 O1 71.04(10) . . ?
O8 S1 O6 115.5(3) . . ?
O8 S1 O7 112.2(3) . . ?
O6 S1 O7 111.0(3) . . ?
O8 S1 C34 107.2(2) . . ?
O6 S1 C34 105.0(2) . . ?
O7 S1 C34 105.1(3) . . ?
O11 S2 O10 113.5(2) . . ?
O11 S2 O9 113.3(2) . . ?
O10 S2 O9 111.5(2) . . ?
O11 S2 C38 106.9(2) . . ?
O10 S2 C38 105.9(2) . . ?
O9 S2 C38 104.9(2) . . ?
N1 O1 Sn1 120.8(2) . . ?
N2 O2 Sn1 118.8(2) . . ?
N3 O3 Sn1 118.8(2) . . ?
N4 O4 Sn1 122.4(2) . . ?
O1 N1 C13 119.0(4) . . ?
O1 N1 C17 119.7(4) . . ?
C13 N1 C17 121.1(4) . . ?
O2 N2 C22 119.6(3) . . ?
O2 N2 C18 118.2(4) . . ?
C22 N2 C18 122.0(4) . . ?
O3 N3 C23 118.9(4) . . ?
O3 N3 C27 119.9(3) . . ?
C23 N3 C27 121.1(4) . . ?
O4 N4 C32 118.3(3) . . ?
O4 N4 C28 120.0(3) . . ?
C32 N4 C28 121.5(4) . . ?
C2 C1 C6 118.5(4) . . ?
C2 C1 Sn1 118.8(3) . . ?
C6 C1 Sn1 122.6(3) . . ?
C1 C2 C3 119.4(5) . . ?
C4 C3 C2 122.3(6) . . ?
C3 C4 C5 118.7(6) . . ?
C4 C5 C6 120.7(6) . . ?
C5 C6 C1 120.4(5) . . ?
C8 C7 C12 118.4(4) . . ?
C8 C7 Sn1 121.9(3) . . ?
C12 C7 Sn1 119.5(4) . . ?
C7 C8 C9 121.4(5) . . ?
C10 C9 C8 118.5(5) . . ?
C11 C10 C9 120.8(6) . . ?
C10 C11 C12 122.0(6) . . ?
C7 C12 C11 118.9(5) . . ?
N1 C13 C14 120.1(4) . . ?
C15 C14 C13 119.3(5) . . ?
C16 C15 C14 118.4(5) . . ?
C15 C16 C17 122.2(5) . . ?
C16 C17 N1 118.8(4) . . ?
C16 C17 C18 123.1(4) . . ?
N1 C17 C18 118.1(4) . . ?
N2 C18 C19 117.6(4) . . ?
N2 C18 C17 118.9(4) . . ?
C19 C18 C17 123.3(4) . . ?
C20 C19 C18 121.1(4) . . ?
C19 C20 C21 118.9(5) . . ?
C20 C21 C22 120.6(5) . . ?
N2 C22 C21 119.7(4) . . ?
N3 C23 C24 119.4(5) . . ?
C25 C24 C23 121.2(5) . . ?
C24 C25 C26 119.0(5) . . ?
C27 C26 C25 119.9(5) . . ?
N3 C27 C26 119.2(4) . . ?
N3 C27 C28 117.8(4) . . ?
C26 C27 C28 122.9(4) . . ?
N4 C28 C29 118.8(4) . . ?
N4 C28 C27 119.4(4) . . ?
C29 C28 C27 121.6(4) . . ?
C30 C29 C28 120.6(4) . . ?
C29 C30 C31 119.3(4) . . ?
C32 C31 C30 119.6(4) . . ?
N4 C32 C31 120.2(4) . . ?
C34 C33 C33 122.4(6) . 2_766 ?
C34 C33 C37 121.4(5) . 2_766 ?
C33 C33 C37 116.1(5) 2_766 2_766 ?
C35 C34 C33 119.0(5) . . ?
C35 C34 S1 119.9(4) . . ?
C33 C34 S1 121.1(4) . . ?
C34 C35 C36 121.1(5) . . ?
C37 C36 C35 121.5(5) . . ?
C36 C37 C33 119.9(5) . 2_766 ?
C39 C38 C42 121.2(4) . 2_667 ?
C39 C38 S2 118.6(4) . . ?
C42 C38 S2 120.1(4) 2_667 . ?
C38 C39 C40 120.8(5) . . ?
C41 C40 C39 120.6(5) . . ?
C40 C41 C42 121.0(5) . . ?
C41 C42 C38 123.7(4) . 2_667 ?
C41 C42 C42 117.8(5) . 2_667 ?
C38 C42 C42 118.5(5) 2_667 2_667 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 C1 2.116(4) . ?
Sn1 C7 2.123(4) . ?
Sn1 O5 2.246(3) . ?
Sn1 O3 2.270(3) . ?
Sn1 O2 2.286(3) . ?
Sn1 O4 2.333(3) . ?
Sn1 O1 2.370(3) . ?
S1 O8 1.418(4) . ?
S1 O6 1.425(4) . ?
S1 O7 1.483(4) . ?
S1 C34 1.794(6) . ?
S2 O11 1.448(4) . ?
S2 O10 1.448(4) . ?
S2 O9 1.464(4) . ?
S2 C38 1.781(5) . ?
O1 N1 1.330(4) . ?
O2 N2 1.336(4) . ?
O3 N3 1.340(4) . ?
O4 N4 1.331(4) . ?
N1 C13 1.340(6) . ?
N1 C17 1.372(5) . ?
N2 C22 1.341(6) . ?
N2 C18 1.354(5) . ?
N3 C23 1.349(6) . ?
N3 C27 1.362(6) . ?
N4 C32 1.344(5) . ?
N4 C28 1.356(5) . ?
C1 C2 1.382(6) . ?
C1 C6 1.385(6) . ?
C2 C3 1.383(8) . ?
C3 C4 1.343(9) . ?
C4 C5 1.372(9) . ?
C5 C6 1.380(7) . ?
C7 C8 1.379(7) . ?
C7 C12 1.389(6) . ?
C8 C9 1.402(7) . ?
C9 C10 1.372(8) . ?
C10 C11 1.327(9) . ?
C11 C12 1.402(8) . ?
C13 C14 1.398(7) . ?
C14 C15 1.395(8) . ?
C15 C16 1.356(8) . ?
C16 C17 1.369(6) . ?
C17 C18 1.453(6) . ?
C18 C19 1.401(6) . ?
C19 C20 1.355(8) . ?
C20 C21 1.362(7) . ?
C21 C22 1.370(7) . ?
C23 C24 1.373(7) . ?
C24 C25 1.344(8) . ?
C25 C26 1.393(7) . ?
C26 C27 1.371(6) . ?
C27 C28 1.467(6) . ?
C28 C29 1.377(6) . ?
C29 C30 1.371(7) . ?
C30 C31 1.375(7) . ?
C31 C32 1.374(6) . ?
C33 C34 1.406(7) . ?
C33 C33 1.409(9) 2_766 ?
C33 C37 1.474(7) 2_766 ?
C34 C35 1.360(7) . ?
C35 C36 1.410(8) . ?
C36 C37 1.347(7) . ?
C37 C33 1.474(7) 2_766 ?
C38 C39 1.350(7) . ?
C38 C42 1.427(6) 2_667 ?
C39 C40 1.395(7) . ?
C40 C41 1.374(7) . ?
C41 C42 1.420(7) . ?
C42 C38 1.427(6) 2_667 ?
C42 C42 1.442(8) 2_667 ?
