#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:44:06 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178579 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/89/4068941.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_4068941
loop_
_publ_author_name
'Chandrasekhar, Vadapalli'
'Thirumoorthi, Ramalingam'
_publ_contact_author             'Vadapalli Chandrasekhar'
_publ_section_title
;
 Reactions of 3,5-Pyrazoledicarboxylic Acid with Organotin Chlorides and
 Oxides. Coordination Polymers Containing Organotin Macrocycles
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              2096
_journal_paper_doi               10.1021/om8011739
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C25 H46 N2 O4 Sn2'
_chemical_formula_sum            'C25 H46 N2 O4 Sn2'
_chemical_formula_weight         676.02
_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                 98.3810(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5940(6)
_cell_length_b                   18.4331(12)
_cell_length_c                   16.7185(10)
_cell_measurement_reflns_used    4356
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28.03
_cell_measurement_theta_min      2.41
_cell_volume                     2925.0(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0388
_diffrn_reflns_av_sigmaI/netI    0.0471
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16316
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    1.737
_exptl_absorpt_correction_T_max  0.8454
_exptl_absorpt_correction_T_min  0.7226
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.941
_refine_diff_density_min         -0.478
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         5726
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0344
_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)+(0.0363P)²+2.8494P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0760
_refine_ls_wR_factor_ref         0.0845
_reflns_number_gt                4591
_reflns_number_total             5726
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om8011739_si_002.cif
_cod_data_source_block           Compound8
_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 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P2(1)/n  '
_cod_database_code               4068941
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.13107(3) 0.004483(14) 0.895967(16) 0.01215(9) Uani 1 1 d . . .
Sn2 Sn 0.08449(3) 0.248791(14) 0.681513(17) 0.01374(9) Uani 1 1 d . . .
O1 O 0.2653(3) -0.10143(14) 0.87828(17) 0.0161(7) Uani 1 1 d . . .
O2 O 0.1113(3) 0.11002(14) 0.81973(17) 0.0159(6) Uani 1 1 d . . .
O3 O -0.0135(3) 0.21210(15) 0.79407(17) 0.0178(7) Uani 1 1 d . . .
O4 O 0.1844(3) 0.28646(15) 0.57369(17) 0.0170(7) Uani 1 1 d . . .
N1 N 0.0949(4) -0.07681(17) 0.9906(2) 0.0126(7) Uani 1 1 d . . .
N2 N -0.0197(4) 0.07851(18) 0.9466(2) 0.0140(8) Uani 1 1 d . . .
C1 C 0.5473(5) 0.1061(3) 0.8001(3) 0.0255(11) Uani 1 1 d . . .
H1A H 0.4948 0.1504 0.7831 0.038 Uiso 1 1 calc R . .
H1B H 0.5715 0.0809 0.7524 0.038 Uiso 1 1 calc R . .
H1C H 0.6338 0.1187 0.8361 0.038 Uiso 1 1 calc R . .
C2 C 0.4568(5) 0.0568(2) 0.8446(3) 0.0212(10) Uani 1 1 d . . .
H2A H 0.3717 0.0423 0.8071 0.025 Uiso 1 1 calc R . .
H2B H 0.5105 0.0122 0.8617 0.025 Uiso 1 1 calc R . .
C3 C 0.4121(5) 0.0930(2) 0.9182(3) 0.0200(10) Uani 1 1 d . . .
H3A H 0.3596 0.1379 0.9008 0.024 Uiso 1 1 calc R . .
H3B H 0.4975 0.1072 0.9555 0.024 Uiso 1 1 calc R . .
C4 C 0.3204(5) 0.0455(2) 0.9638(3) 0.0174(9) Uani 1 1 d . . .
H4A H 0.2948 0.0739 1.0098 0.021 Uiso 1 1 calc R . .
H4B H 0.3777 0.0038 0.9867 0.021 Uiso 1 1 calc R . .
C5 C -0.0063(5) -0.0406(2) 0.7971(3) 0.0192(10) Uani 1 1 d . . .
H5A H 0.0291 -0.0274 0.7464 0.023 Uiso 1 1 calc R . .
H5B H -0.0028 -0.0941 0.8018 0.023 Uiso 1 1 calc R . .
C6 C -0.1608(5) -0.0161(2) 0.7911(3) 0.0231(10) Uani 1 1 d . . .
H6A H -0.1990 -0.0325 0.8399 0.028 Uiso 1 1 calc R . .
H6B H -0.1644 0.0375 0.7899 0.028 Uiso 1 1 calc R . .
C7 C -0.2533(5) -0.0454(3) 0.7168(3) 0.0256(11) Uani 1 1 d . . .
H7A H -0.3532 -0.0411 0.7248 0.031 Uiso 1 1 calc R . .
H7B H -0.2325 -0.0976 0.7110 0.031 Uiso 1 1 calc R . .
C8 C -0.2333(6) -0.0065(3) 0.6391(3) 0.0343(12) Uani 1 1 d . . .
H8A H -0.2558 0.0451 0.6437 0.051 Uiso 1 1 calc R . .
H8B H -0.2959 -0.0278 0.5936 0.051 Uiso 1 1 calc R . .
H8C H -0.1352 -0.0115 0.6299 0.051 Uiso 1 1 calc R . .
C9 C 0.1682(4) -0.1401(2) 0.9917(2) 0.0132(9) Uani 1 1 d . . .
C10 C -0.1398(5) 0.1831(2) 0.9445(2) 0.0140(9) Uani 1 1 d . . .
H10 H -0.1763 0.2299 0.9297 0.017 Uiso 1 1 calc R . .
C11 C -0.0465(4) 0.1428(2) 0.9075(2) 0.0137(9) Uani 1 1 d . . .
C12 C 0.0215(5) 0.1565(2) 0.8345(2) 0.0142(9) Uani 1 1 d . . .
C13 C 0.2709(5) 0.2697(2) 0.7640(3) 0.0190(10) Uani 1 1 d . . .
H13A H 0.3015 0.2238 0.7920 0.023 Uiso 1 1 calc R . .
H13B H 0.3460 0.2846 0.7326 0.023 Uiso 1 1 calc R . .
C14 C 0.2586(6) 0.3277(3) 0.8281(3) 0.0336(12) Uani 1 1 d . . .
H14A H 0.2640 0.3761 0.8031 0.040 Uiso 1 1 calc R . .
H14B H 0.1647 0.3235 0.8456 0.040 Uiso 1 1 calc R . .
C15 C 0.3693(6) 0.3233(3) 0.9017(3) 0.0337(12) Uani 1 1 d . . .
H15A H 0.3580 0.3660 0.9361 0.040 Uiso 1 1 calc R . .
H15B H 0.3501 0.2797 0.9327 0.040 Uiso 1 1 calc R . .
C16 C 0.5197(6) 0.3203(3) 0.8877(3) 0.0413(14) Uani 1 1 d . . .
H16A H 0.5327 0.2792 0.8524 0.062 Uiso 1 1 calc R . .
H16B H 0.5808 0.3143 0.9396 0.062 Uiso 1 1 calc R . .
H16C H 0.5440 0.3655 0.8620 0.062 Uiso 1 1 calc R . .
C17 C 0.0691(5) 0.1443(2) 0.6260(3) 0.0163(9) Uani 1 1 d . . .
H17A H 0.0133 0.1120 0.6565 0.020 Uiso 1 1 calc R . .
H17B H 0.0186 0.1487 0.5702 0.020 Uiso 1 1 calc R . .
C18 C 0.2126(5) 0.1105(2) 0.6234(3) 0.0196(10) Uani 1 1 d . . .
H18A H 0.2649 0.1092 0.6790 0.024 Uiso 1 1 calc R . .
H18B H 0.2659 0.1418 0.5906 0.024 Uiso 1 1 calc R . .
C19 C 0.2072(5) 0.0336(2) 0.5885(3) 0.0230(10) Uani 1 1 d . . .
H19A H 0.1570 0.0347 0.5324 0.028 Uiso 1 1 calc R . .
H19B H 0.1530 0.0021 0.6207 0.028 Uiso 1 1 calc R . .
C20 C 0.3540(5) 0.0008(2) 0.5883(3) 0.0281(11) Uani 1 1 d . . .
H20A H 0.4101 0.0331 0.5590 0.042 Uiso 1 1 calc R . .
H20B H 0.3451 -0.0466 0.5616 0.042 Uiso 1 1 calc R . .
H20C H 0.4007 -0.0050 0.6441 0.042 Uiso 1 1 calc R . .
C21 C -0.0861(5) 0.3238(2) 0.6590(3) 0.0230(10) Uani 1 1 d . A .
H21A H -0.1091 0.3410 0.7116 0.028 Uiso 1 1 calc R . .
H21B H -0.0542 0.3664 0.6304 0.028 Uiso 1 1 calc R . .
C22 C -0.2208(6) 0.2945(3) 0.6094(4) 0.0518(17) Uani 1 1 d . . .
C23 C -0.2839(7) 0.2302(3) 0.6466(4) 0.0317(15) Uiso 0.80 1 d P A 1
C23A C -0.283(3) 0.2346(13) 0.5947(16) 0.029(6) Uiso 0.20 1 d P A 2
C24 C -0.4206(6) 0.2021(3) 0.5924(4) 0.0495(16) Uani 1 1 d . . .
C25 C 0.2434(4) 0.3474(2) 0.5728(2) 0.0135(9) 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'
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
C5 Sn1 C4 159.09(17) . .
C5 Sn1 N2 99.81(15) . .
C4 Sn1 N2 97.44(15) . .
C5 Sn1 N1 98.35(15) . .
C4 Sn1 N1 93.95(14) . .
N2 Sn1 N1 88.03(12) . .
C5 Sn1 O2 84.79(14) . .
C4 Sn1 O2 89.41(13) . .
N2 Sn1 O2 72.02(11) . .
N1 Sn1 O2 160.04(11) . .
C5 Sn1 O1 82.42(14) . .
C4 Sn1 O1 85.58(14) . .
N2 Sn1 O1 159.44(11) . .
N1 Sn1 O1 71.45(10) . .
O2 Sn1 O1 128.47(9) . .
C13 Sn2 C17 116.33(17) . .
C13 Sn2 C21 123.18(18) . .
C17 Sn2 C21 120.38(18) . .
C13 Sn2 O4 92.69(14) . .
C17 Sn2 O4 86.65(13) . .
C21 Sn2 O4 93.65(14) . .
C13 Sn2 O3 85.91(14) . .
C17 Sn2 O3 94.51(13) . .
C21 Sn2 O3 86.62(14) . .
O4 Sn2 O3 178.48(11) . .
C25 O1 Sn1 116.4(2) 2_546 .
C12 O2 Sn1 117.7(2) . .
C12 O3 Sn2 124.7(3) . .
C25 O4 Sn2 121.7(3) . .
N2 N1 C9 107.6(3) 3_557 .
N2 N1 Sn1 135.6(2) 3_557 .
C9 N1 Sn1 116.7(2) . .
N1 N2 C11 107.9(3) 3_557 .
N1 N2 Sn1 136.3(2) 3_557 .
C11 N2 Sn1 115.8(3) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C3 C2 C1 112.4(4) . .
C3 C2 H2A 109.1 . .
C1 C2 H2A 109.1 . .
C3 C2 H2B 109.1 . .
C1 C2 H2B 109.1 . .
H2A C2 H2B 107.8 . .
C2 C3 C4 113.9(4) . .
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 Sn1 116.5(3) . .
C3 C4 H4A 108.2 . .
Sn1 C4 H4A 108.2 . .
C3 C4 H4B 108.2 . .
Sn1 C4 H4B 108.2 . .
H4A C4 H4B 107.3 . .
C6 C5 Sn1 114.8(3) . .
C6 C5 H5A 108.6 . .
Sn1 C5 H5A 108.6 . .
C6 C5 H5B 108.6 . .
Sn1 C5 H5B 108.6 . .
H5A C5 H5B 107.6 . .
C7 C6 C5 113.1(4) . .
C7 C6 H6A 109.0 . .
C5 C6 H6A 109.0 . .
C7 C6 H6B 109.0 . .
C5 C6 H6B 109.0 . .
H6A C6 H6B 107.8 . .
C6 C7 C8 113.6(4) . .
C6 C7 H7A 108.9 . .
C8 C7 H7A 108.9 . .
C6 C7 H7B 108.9 . .
C8 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 . .
N1 C9 C10 109.9(3) . 3_557
N1 C9 C25 118.2(4) . 2_546
C10 C9 C25 131.9(4) 3_557 2_546
C11 C10 C9 104.5(3) . 3_557
C11 C10 H10 127.8 . .
C9 C10 H10 127.8 3_557 .
N2 C11 C10 110.2(3) . .
N2 C11 C12 117.9(3) . .
C10 C11 C12 131.9(4) . .
O3 C12 O2 126.0(4) . .
O3 C12 C11 118.0(4) . .
O2 C12 C11 116.0(3) . .
C14 C13 Sn2 115.9(3) . .
C14 C13 H13A 108.3 . .
Sn2 C13 H13A 108.3 . .
C14 C13 H13B 108.3 . .
Sn2 C13 H13B 108.3 . .
H13A C13 H13B 107.4 . .
C15 C14 C13 114.7(4) . .
C15 C14 H14A 108.6 . .
C13 C14 H14A 108.6 . .
C15 C14 H14B 108.6 . .
C13 C14 H14B 108.6 . .
H14A C14 H14B 107.6 . .
C16 C15 C14 117.2(4) . .
C16 C15 H15A 108.0 . .
C14 C15 H15A 108.0 . .
C16 C15 H15B 108.0 . .
C14 C15 H15B 108.0 . .
H15A C15 H15B 107.2 . .
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 112.2(3) . .
C18 C17 H17A 109.2 . .
Sn2 C17 H17A 109.2 . .
C18 C17 H17B 109.2 . .
Sn2 C17 H17B 109.2 . .
H17A C17 H17B 107.9 . .
C17 C18 C19 114.3(4) . .
C17 C18 H18A 108.7 . .
C19 C18 H18A 108.7 . .
C17 C18 H18B 108.7 . .
C19 C18 H18B 108.7 . .
H18A C18 H18B 107.6 . .
C18 C19 C20 112.7(4) . .
C18 C19 H19A 109.1 . .
C20 C19 H19A 109.1 . .
C18 C19 H19B 109.1 . .
C20 C19 H19B 109.1 . .
H19A C19 H19B 107.8 . .
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 115.6(3) . .
C22 C21 H21A 108.4 . .
Sn2 C21 H21A 108.4 . .
C22 C21 H21B 108.4 . .
Sn2 C21 H21B 108.4 . .
H21A C21 H21B 107.4 . .
C23A C22 C23 35.4(12) . .
C23A C22 C21 138.8(13) . .
C23 C22 C21 114.4(5) . .
C22 C23 C24 111.9(6) . .
C22 C23A C24 141(2) . .
C23A C24 C23 33.3(10) . .
O4 C25 O1 126.0(4) . 2_556
O4 C25 C9 116.9(4) . 2_556
O1 C25 C9 117.1(4) 2_556 2_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 C5 2.127(4) .
Sn1 C4 2.135(4) .
Sn1 N2 2.242(3) .
Sn1 N1 2.243(3) .
Sn1 O2 2.318(3) .
Sn1 O1 2.381(3) .
Sn2 C13 2.129(5) .
Sn2 C17 2.134(4) .
Sn2 C21 2.134(4) .
Sn2 O4 2.270(3) .
Sn2 O3 2.323(3) .
O1 C25 1.259(5) 2_546
O2 C12 1.265(5) .
O3 C12 1.247(5) .
O4 C25 1.259(5) .
N1 N2 1.358(4) 3_557
N1 C9 1.362(5) .
N2 N1 1.358(4) 3_557
N2 C11 1.359(5) .
C1 C2 1.524(6) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.516(6) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.522(6) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.539(6) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.516(6) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C8 1.521(6) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.388(5) 3_557
C9 C25 1.483(5) 2_546
C10 C11 1.378(6) .
C10 C9 1.387(5) 3_557
C10 H10 0.9500 .
C11 C12 1.487(5) .
C13 C14 1.531(6) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.504(7) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.496(7) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.518(6) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.531(6) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.533(6) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C22 1.529(8) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23A 1.26(3) .
C22 C23 1.506(9) .
C23 C24 1.570(9) .
C23A C24 1.44(3) .
C25 O1 1.259(5) 2_556
C25 C9 1.483(5) 2_556
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C5 Sn1 O1 C25 -101.6(3) . 2_546
C4 Sn1 O1 C25 95.6(3) . 2_546
N2 Sn1 O1 C25 -3.9(5) . 2_546
N1 Sn1 O1 C25 -0.1(3) . 2_546
O2 Sn1 O1 C25 -178.7(3) . 2_546
C5 Sn1 O2 C12 96.3(3) . .
C4 Sn1 O2 C12 -103.9(3) . .
N2 Sn1 O2 C12 -5.8(3) . .
N1 Sn1 O2 C12 -3.9(5) . .
O1 Sn1 O2 C12 172.3(3) . .
C13 Sn2 O3 C12 -68.8(4) . .
C17 Sn2 O3 C12 47.3(4) . .
C21 Sn2 O3 C12 167.6(4) . .
O4 Sn2 O3 C12 -92(4) . .
C13 Sn2 O4 C25 -52.7(3) . .
C17 Sn2 O4 C25 -169.0(3) . .
C21 Sn2 O4 C25 70.8(3) . .
O3 Sn2 O4 C25 -29(4) . .
C5 Sn1 N1 N2 -102.4(4) . 3_557
C4 Sn1 N1 N2 94.6(4) . 3_557
N2 Sn1 N1 N2 -2.8(4) . 3_557
O2 Sn1 N1 N2 -4.6(6) . 3_557
O1 Sn1 N1 N2 178.5(4) . 3_557
C5 Sn1 N1 C9 81.5(3) . .
C4 Sn1 N1 C9 -81.5(3) . .
N2 Sn1 N1 C9 -178.8(3) . .
O2 Sn1 N1 C9 179.3(3) . .
O1 Sn1 N1 C9 2.5(3) . .
C5 Sn1 N2 N1 100.9(4) . 3_557
C4 Sn1 N2 N1 -90.9(4) . 3_557
N1 Sn1 N2 N1 2.8(4) . 3_557
O2 Sn1 N2 N1 -177.9(4) . 3_557
O1 Sn1 N2 N1 6.4(6) . 3_557
C5 Sn1 N2 C11 -79.6(3) . .
C4 Sn1 N2 C11 88.5(3) . .
N1 Sn1 N2 C11 -177.8(3) . .
O2 Sn1 N2 C11 1.6(3) . .
O1 Sn1 N2 C11 -174.2(3) . .
C1 C2 C3 C4 179.5(4) . .
C2 C3 C4 Sn1 -56.7(5) . .
C5 Sn1 C4 C3 40.2(6) . .
N2 Sn1 C4 C3 -105.2(3) . .
N1 Sn1 C4 C3 166.3(3) . .
O2 Sn1 C4 C3 -33.4(3) . .
O1 Sn1 C4 C3 95.2(3) . .
C4 Sn1 C5 C6 -148.7(4) . .
N2 Sn1 C5 C6 -3.6(3) . .
N1 Sn1 C5 C6 85.9(3) . .
O2 Sn1 C5 C6 -74.3(3) . .
O1 Sn1 C5 C6 155.8(3) . .
Sn1 C5 C6 C7 176.1(3) . .
C5 C6 C7 C8 -76.1(5) . .
N2 N1 C9 C10 0.2(5) 3_557 3_557
Sn1 N1 C9 C10 177.3(3) . 3_557
N2 N1 C9 C25 178.4(4) 3_557 2_546
Sn1 N1 C9 C25 -4.5(5) . 2_546
N1 N2 C11 C10 -0.2(5) 3_557 .
Sn1 N2 C11 C10 -179.8(3) . .
N1 N2 C11 C12 -178.3(4) 3_557 .
Sn1 N2 C11 C12 2.1(5) . .
C9 C10 C11 N2 0.1(5) 3_557 .
C9 C10 C11 C12 177.9(4) 3_557 .
Sn2 O3 C12 O2 -2.6(6) . .
Sn2 O3 C12 C11 176.9(3) . .
Sn1 O2 C12 O3 -171.8(3) . .
Sn1 O2 C12 C11 8.7(5) . .
N2 C11 C12 O3 173.1(4) . .
C10 C11 C12 O3 -4.5(7) . .
N2 C11 C12 O2 -7.3(6) . .
C10 C11 C12 O2 175.0(4) . .
C17 Sn2 C13 C14 -155.5(3) . .
C21 Sn2 C13 C14 20.8(4) . .
O4 Sn2 C13 C14 116.9(3) . .
O3 Sn2 C13 C14 -62.5(3) . .
Sn2 C13 C14 C15 159.1(4) . .
C13 C14 C15 C16 51.7(7) . .
C13 Sn2 C17 C18 -24.6(3) . .
C21 Sn2 C17 C18 159.0(3) . .
O4 Sn2 C17 C18 66.7(3) . .
O3 Sn2 C17 C18 -112.3(3) . .
Sn2 C17 C18 C19 176.7(3) . .
C17 C18 C19 C20 -179.0(4) . .
C13 Sn2 C21 C22 -169.8(4) . .
C17 Sn2 C21 C22 6.3(4) . .
O4 Sn2 C21 C22 94.6(4) . .
O3 Sn2 C21 C22 -86.9(4) . .
Sn2 C21 C22 C23A 27(2) . .
Sn2 C21 C22 C23 59.5(6) . .
C23A C22 C23 C24 -37(2) . .
C21 C22 C23 C24 -179.3(5) . .
C23 C22 C23A C24 73(3) . .
C21 C22 C23A C24 131(3) . .
C22 C23A C24 C23 -75(3) . .
C22 C23 C24 C23A 33.8(18) . .
Sn2 O4 C25 O1 -12.8(6) . 2_556
Sn2 O4 C25 C9 166.9(3) . 2_556
