#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/15/2221502.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_2221502
loop_
_publ_author_name
'Yang, Hong-Jun'
'Dang, Yan-Qiu'
_publ_section_title
Dicyclohexyl[N-(3-methoxy-2-oxidobenzylidene)valinato-κ³O,N,O']tin(IV)
_journal_coeditor_code           SJ2591
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m398
_journal_page_last               m399
_journal_paper_doi               10.1107/S1600536809008393
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Sn (C6 H11)2 (C13 H15 N O4)]'
_chemical_formula_moiety         'C25 H37 N O4 Sn'
_chemical_formula_sum            'C25 H37 N O4 Sn'
_chemical_formula_weight         534.25
_chemical_name_systematic
;
Dicyclohexyl[N-(3-methoxy-2-oxidobenzylidene)valinato-
κ³O,N,O']tin(IV)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 94.3450(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5354(5)
_cell_length_b                   10.0011(6)
_cell_length_c                   25.7662(15)
_cell_measurement_reflns_used    6982
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.16
_cell_measurement_theta_min      2.34
_cell_volume                     2450.1(2)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0253
_diffrn_reflns_av_sigmaI/netI    0.0239
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            18670
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.59
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.073
_exptl_absorpt_correction_T_max  0.9003
_exptl_absorpt_correction_T_min  0.8643
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.566
_refine_diff_density_min         -0.340
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4808
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0332
_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)+(0.0302P)²+2.2424P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0713
_refine_ls_wR_factor_ref         0.0765
_reflns_number_gt                3858
_reflns_number_total             4808
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sj2591.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2221502
_cod_database_fobs_code          2221502
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_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
Sn Sn1 0.13269(2) -0.000285(19) 0.145122(7) 0.03534(8) Uani d . 1 . .
N N1 0.0746(2) 0.2013(2) 0.16634(9) 0.0356(5) Uani d . 1 . .
O O1 0.0070(2) -0.0239(2) 0.21069(8) 0.0469(5) Uani d . 1 . .
O O3 0.2487(2) 0.1017(2) 0.09093(8) 0.0438(5) Uani d . 1 . .
O O4 0.4527(3) 0.1480(2) 0.03098(9) 0.0557(6) Uani d . 1 . .
O O2 -0.1148(3) 0.0751(2) 0.26995(8) 0.0583(6) Uani d . 1 . .
C C19 0.2495(3) 0.3275(3) 0.12149(11) 0.0380(7) Uani d . 1 . .
C C13 0.2988(3) 0.2235(3) 0.09125(11) 0.0369(6) Uani d . 1 . .
C C25 -0.0502(3) 0.0784(3) 0.23099(12) 0.0431(7) Uani d . 1 . .
C C14 0.4080(3) 0.2540(3) 0.05838(12) 0.0421(7) Uani d . 1 . .
C C7 0.3103(3) -0.0932(3) 0.18570(12) 0.0437(7) Uani d . 1 . .
H H7 0.2734 -0.1674 0.2054 0.052 Uiso calc R 1 . .
C C21 -0.0371(3) 0.2112(3) 0.20312(11) 0.0405(7) Uani d . 1 . .
H H21 -0.0090 0.2795 0.2292 0.049 Uiso calc R 1 . .
C C20 0.1414(3) 0.3096(3) 0.15649(11) 0.0407(7) Uani d . 1 . .
H H20 0.1160 0.3856 0.1744 0.049 Uiso calc R 1 . .
C C1 0.0021(3) -0.1073(3) 0.08792(11) 0.0389(7) Uani d . 1 . .
H H1 -0.0630 -0.0432 0.0703 0.047 Uiso calc R 1 . .
C C16 0.4606(4) 0.3813(3) 0.05633(13) 0.0515(8) Uani d . 1 . .
H H16 0.5319 0.3996 0.0347 0.062 Uiso calc R 1 . .
C C18 0.3057(4) 0.4573(3) 0.11829(13) 0.0513(8) Uani d . 1 . .
H H18 0.2718 0.5257 0.1384 0.062 Uiso calc R 1 . .
C C2 -0.0854(4) -0.2153(3) 0.11246(13) 0.0536(8) Uani d . 1 . .
H H2A -0.0232 -0.2777 0.1316 0.064 Uiso calc R 1 . .
H H2B -0.1453 -0.1742 0.1368 0.064 Uiso calc R 1 . .
C C24 -0.2320(4) 0.1559(4) 0.13339(15) 0.0630(10) Uani d . 1 . .
H H24A -0.2323 0.0666 0.1471 0.095 Uiso calc R 1 . .
H H24B -0.1710 0.1600 0.1055 0.095 Uiso calc R 1 . .
H H24C -0.3257 0.1803 0.1206 0.095 Uiso calc R 1 . .
C C6 0.0909(4) -0.1689(4) 0.04705(13) 0.0544(9) Uani d . 1 . .
H H6A 0.1404 -0.0984 0.0301 0.065 Uiso calc R 1 . .
H H6B 0.1605 -0.2282 0.0641 0.065 Uiso calc R 1 . .
C C17 0.4089(4) 0.4834(3) 0.08615(15) 0.0585(9) Uani d . 1 . .
H H17 0.4450 0.5695 0.0841 0.070 Uiso calc R 1 . .
C C5 0.0011(4) -0.2466(4) 0.00641(13) 0.0648(10) Uani d . 1 . .
H H5A -0.0607 -0.1852 -0.0135 0.078 Uiso calc R 1 . .
H H5B 0.0614 -0.2891 -0.0174 0.078 Uiso calc R 1 . .
C C15 0.5593(5) 0.1721(4) -0.00362(16) 0.0716(12) Uani d . 1 . .
H H15A 0.5818 0.0900 -0.0204 0.107 Uiso calc R 1 . .
H H15B 0.6418 0.2061 0.0156 0.107 Uiso calc R 1 . .
H H15C 0.5261 0.2363 -0.0294 0.107 Uiso calc R 1 . .
C C10 0.6078(4) -0.1408(4) 0.21768(18) 0.0750(12) Uani d . 1 . .
H H10A 0.6546 -0.0709 0.1994 0.090 Uiso calc R 1 . .
H H10B 0.6794 -0.1924 0.2376 0.090 Uiso calc R 1 . .
C C22 -0.1800(3) 0.2520(3) 0.17606(13) 0.0486(8) Uani d . 1 . .
H H22 -0.2483 0.2490 0.2026 0.058 Uiso calc R 1 . .
C C23 -0.1805(4) 0.3944(4) 0.15532(16) 0.0703(11) Uani d . 1 . .
H H23A -0.2718 0.4149 0.1390 0.105 Uiso calc R 1 . .
H H23B -0.1113 0.4028 0.1303 0.105 Uiso calc R 1 . .
H H23C -0.1589 0.4553 0.1836 0.105 Uiso calc R 1 . .
C C3 -0.1757(4) -0.2901(4) 0.07076(15) 0.0634(10) Uani d . 1 . .
H H3A -0.2281 -0.3597 0.0870 0.076 Uiso calc R 1 . .
H H3B -0.2427 -0.2287 0.0534 0.076 Uiso calc R 1 . .
C C8 0.4100(4) -0.1546(4) 0.14941(15) 0.0752(12) Uani d . 1 . .
H H8A 0.4481 -0.0847 0.1285 0.090 Uiso calc R 1 . .
H H8B 0.3586 -0.2165 0.1261 0.090 Uiso calc R 1 . .
C C11 0.5120(5) -0.0791(6) 0.2538(2) 0.1082(19) Uani d . 1 . .
H H11A 0.5648 -0.0166 0.2765 0.130 Uiso calc R 1 . .
H H11B 0.4752 -0.1482 0.2754 0.130 Uiso calc R 1 . .
C C4 -0.0867(4) -0.3524(4) 0.03086(15) 0.0636(10) Uani d . 1 . .
H H4A -0.0253 -0.4196 0.0475 0.076 Uiso calc R 1 . .
H H4B -0.1472 -0.3959 0.0040 0.076 Uiso calc R 1 . .
C C9 0.5308(5) -0.2287(5) 0.17957(18) 0.0885(15) Uani d . 1 . .
H H9A 0.4934 -0.3044 0.1976 0.106 Uiso calc R 1 . .
H H9B 0.5951 -0.2626 0.1553 0.106 Uiso calc R 1 . .
C C12 0.3897(5) -0.0058(5) 0.22460(19) 0.0894(16) Uani d . 1 . .
H H12A 0.3260 0.0266 0.2494 0.107 Uiso calc R 1 . .
H H12B 0.4257 0.0711 0.2069 0.107 Uiso calc R 1 . .
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
O3 Sn1 C7 . . 95.63(10) y
O3 Sn1 C1 . . 95.31(9) y
C7 Sn1 C1 . . 121.20(12) y
O3 Sn1 O1 . . 157.22(8) y
C7 Sn1 O1 . . 92.06(10) y
C1 Sn1 O1 . . 98.96(10) y
O3 Sn1 N1 . . 82.79(8) y
C7 Sn1 N1 . . 119.27(11) y
C1 Sn1 N1 . . 119.38(10) y
O1 Sn1 N1 . . 74.75(8) y
C20 N1 C21 . . 117.3(2) ?
C20 N1 Sn1 . . 126.18(19) ?
C21 N1 Sn1 . . 115.66(17) ?
C25 O1 Sn1 . . 120.55(19) ?
C13 O3 Sn1 . . 130.97(18) ?
C14 O4 C15 . . 117.4(3) ?
C13 C19 C18 . . 120.4(3) ?
C13 C19 C20 . . 123.1(3) ?
C18 C19 C20 . . 116.6(3) ?
O3 C13 C19 . . 123.8(3) ?
O3 C13 C14 . . 118.6(3) ?
C19 C13 C14 . . 117.6(3) ?
O2 C25 O1 . . 124.7(3) ?
O2 C25 C21 . . 118.6(3) ?
O1 C25 C21 . . 116.7(3) ?
O4 C14 C16 . . 125.1(3) ?
O4 C14 C13 . . 114.4(3) ?
C16 C14 C13 . . 120.5(3) ?
C12 C7 C8 . . 110.1(3) ?
C12 C7 Sn1 . . 114.7(2) ?
C8 C7 Sn1 . . 112.7(2) ?
C12 C7 H7 . . 106.3 ?
C8 C7 H7 . . 106.3 ?
Sn1 C7 H7 . . 106.3 ?
N1 C21 C25 . . 109.4(2) ?
N1 C21 C22 . . 112.5(2) ?
C25 C21 C22 . . 110.1(3) ?
N1 C21 H21 . . 108.2 ?
C25 C21 H21 . . 108.2 ?
C22 C21 H21 . . 108.2 ?
N1 C20 C19 . . 128.2(3) ?
N1 C20 H20 . . 115.9 ?
C19 C20 H20 . . 115.9 ?
C6 C1 C2 . . 110.3(3) ?
C6 C1 Sn1 . . 110.57(19) ?
C2 C1 Sn1 . . 112.0(2) ?
C6 C1 H1 . . 107.9 ?
C2 C1 H1 . . 107.9 ?
Sn1 C1 H1 . . 107.9 ?
C14 C16 C17 . . 121.0(3) ?
C14 C16 H16 . . 119.5 ?
C17 C16 H16 . . 119.5 ?
C17 C18 C19 . . 120.6(3) ?
C17 C18 H18 . . 119.7 ?
C19 C18 H18 . . 119.7 ?
C3 C2 C1 . . 110.6(3) ?
C3 C2 H2A . . 109.5 ?
C1 C2 H2A . . 109.5 ?
C3 C2 H2B . . 109.5 ?
C1 C2 H2B . . 109.5 ?
H2A C2 H2B . . 108.1 ?
C22 C24 H24A . . 109.5 ?
C22 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
C22 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
C5 C6 C1 . . 111.6(3) ?
C5 C6 H6A . . 109.3 ?
C1 C6 H6A . . 109.3 ?
C5 C6 H6B . . 109.3 ?
C1 C6 H6B . . 109.3 ?
H6A C6 H6B . . 108.0 ?
C18 C17 C16 . . 119.9(3) ?
C18 C17 H17 . . 120.0 ?
C16 C17 H17 . . 120.0 ?
C4 C5 C6 . . 111.8(3) ?
C4 C5 H5A . . 109.3 ?
C6 C5 H5A . . 109.3 ?
C4 C5 H5B . . 109.3 ?
C6 C5 H5B . . 109.3 ?
H5A C5 H5B . . 107.9 ?
O4 C15 H15A . . 109.5 ?
O4 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
O4 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
C9 C10 C11 . . 111.5(4) ?
C9 C10 H10A . . 109.3 ?
C11 C10 H10A . . 109.3 ?
C9 C10 H10B . . 109.3 ?
C11 C10 H10B . . 109.3 ?
H10A C10 H10B . . 108.0 ?
C24 C22 C23 . . 110.3(3) ?
C24 C22 C21 . . 113.0(3) ?
C23 C22 C21 . . 112.7(3) ?
C24 C22 H22 . . 106.8 ?
C23 C22 H22 . . 106.8 ?
C21 C22 H22 . . 106.8 ?
C22 C23 H23A . . 109.5 ?
C22 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C22 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
C4 C3 C2 . . 111.4(3) ?
C4 C3 H3A . . 109.3 ?
C2 C3 H3A . . 109.3 ?
C4 C3 H3B . . 109.3 ?
C2 C3 H3B . . 109.3 ?
H3A C3 H3B . . 108.0 ?
C7 C8 C9 . . 111.5(3) ?
C7 C8 H8A . . 109.3 ?
C9 C8 H8A . . 109.3 ?
C7 C8 H8B . . 109.3 ?
C9 C8 H8B . . 109.3 ?
H8A C8 H8B . . 108.0 ?
C10 C11 C12 . . 112.0(4) ?
C10 C11 H11A . . 109.2 ?
C12 C11 H11A . . 109.2 ?
C10 C11 H11B . . 109.2 ?
C12 C11 H11B . . 109.2 ?
H11A C11 H11B . . 107.9 ?
C5 C4 C3 . . 110.5(3) ?
C5 C4 H4A . . 109.5 ?
C3 C4 H4A . . 109.5 ?
C5 C4 H4B . . 109.5 ?
C3 C4 H4B . . 109.5 ?
H4A C4 H4B . . 108.1 ?
C10 C9 C8 . . 111.6(4) ?
C10 C9 H9A . . 109.3 ?
C8 C9 H9A . . 109.3 ?
C10 C9 H9B . . 109.3 ?
C8 C9 H9B . . 109.3 ?
H9A C9 H9B . . 108.0 ?
C7 C12 C11 . . 112.3(4) ?
C7 C12 H12A . . 109.1 ?
C11 C12 H12A . . 109.1 ?
C7 C12 H12B . . 109.1 ?
C11 C12 H12B . . 109.1 ?
H12A C12 H12B . . 107.9 ?
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 O3 . 2.1085(19) y
Sn1 C7 . 2.135(3) y
Sn1 C1 . 2.142(3) y
Sn1 O1 . 2.157(2) y
Sn1 N1 . 2.172(2) y
N1 C20 . 1.292(4) ?
N1 C21 . 1.481(3) ?
O1 C25 . 1.289(4) ?
O3 C13 . 1.309(3) ?
O4 C14 . 1.360(4) ?
O4 C15 . 1.422(4) ?
O2 C25 . 1.217(4) ?
C19 C13 . 1.402(4) ?
C19 C18 . 1.409(4) ?
C19 C20 . 1.431(4) ?
C13 C14 . 1.424(4) ?
C25 C21 . 1.520(4) ?
C14 C16 . 1.370(4) ?
C7 C12 . 1.492(5) ?
C7 C8 . 1.512(5) ?
C7 H7 . 0.9800 ?
C21 C22 . 1.538(4) ?
C21 H21 . 0.9800 ?
C20 H20 . 0.9300 ?
C1 C6 . 1.530(4) ?
C1 C2 . 1.530(4) ?
C1 H1 . 0.9800 ?
C16 C17 . 1.390(5) ?
C16 H16 . 0.9300 ?
C18 C17 . 1.359(5) ?
C18 H18 . 0.9300 ?
C2 C3 . 1.522(5) ?
C2 H2A . 0.9700 ?
C2 H2B . 0.9700 ?
C24 C22 . 1.515(5) ?
C24 H24A . 0.9600 ?
C24 H24B . 0.9600 ?
C24 H24C . 0.9600 ?
C6 C5 . 1.516(4) ?
C6 H6A . 0.9700 ?
C6 H6B . 0.9700 ?
C17 H17 . 0.9300 ?
C5 C4 . 1.515(5) ?
C5 H5A . 0.9700 ?
C5 H5B . 0.9700 ?
C15 H15A . 0.9600 ?
C15 H15B . 0.9600 ?
C15 H15C . 0.9600 ?
C10 C9 . 1.472(6) ?
C10 C11 . 1.487(6) ?
C10 H10A . 0.9700 ?
C10 H10B . 0.9700 ?
C22 C23 . 1.521(5) ?
C22 H22 . 0.9800 ?
C23 H23A . 0.9600 ?
C23 H23B . 0.9600 ?
C23 H23C . 0.9600 ?
C3 C4 . 1.516(5) ?
C3 H3A . 0.9700 ?
C3 H3B . 0.9700 ?
C8 C9 . 1.531(5) ?
C8 H8A . 0.9700 ?
C8 H8B . 0.9700 ?
C11 C12 . 1.527(6) ?
C11 H11A . 0.9700 ?
C11 H11B . 0.9700 ?
C4 H4A . 0.9700 ?
C4 H4B . 0.9700 ?
C9 H9A . 0.9700 ?
C9 H9B . 0.9700 ?
C12 H12A . 0.9700 ?
C12 H12B . 0.9700 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O3 Sn1 N1 C20 . . . . -20.0(2) ?
C7 Sn1 N1 C20 . . . . 72.5(3) ?
C1 Sn1 N1 C20 . . . . -112.0(3) ?
O1 Sn1 N1 C20 . . . . 156.2(3) ?
O3 Sn1 N1 C21 . . . . 171.3(2) ?
C7 Sn1 N1 C21 . . . . -96.3(2) ?
C1 Sn1 N1 C21 . . . . 79.2(2) ?
O1 Sn1 N1 C21 . . . . -12.62(19) ?
O3 Sn1 O1 C25 . . . . 13.5(4) ?
C7 Sn1 O1 C25 . . . . 123.3(2) ?
C1 Sn1 O1 C25 . . . . -114.6(2) ?
N1 Sn1 O1 C25 . . . . 3.5(2) ?
C7 Sn1 O3 C13 . . . . -94.7(3) ?
C1 Sn1 O3 C13 . . . . 143.1(3) ?
O1 Sn1 O3 C13 . . . . 14.4(4) ?
N1 Sn1 O3 C13 . . . . 24.1(3) ?
Sn1 O3 C13 C19 . . . . -20.1(4) ?
Sn1 O3 C13 C14 . . . . 161.1(2) ?
C18 C19 C13 O3 . . . . -177.8(3) ?
C20 C19 C13 O3 . . . . 2.0(5) ?
C18 C19 C13 C14 . . . . 1.0(4) ?
C20 C19 C13 C14 . . . . -179.3(3) ?
Sn1 O1 C25 O2 . . . . -175.0(3) ?
Sn1 O1 C25 C21 . . . . 6.1(4) ?
C15 O4 C14 C16 . . . . -2.0(5) ?
C15 O4 C14 C13 . . . . 178.5(3) ?
O3 C13 C14 O4 . . . . -2.4(4) ?
C19 C13 C14 O4 . . . . 178.8(3) ?
O3 C13 C14 C16 . . . . 178.0(3) ?
C19 C13 C14 C16 . . . . -0.8(4) ?
O3 Sn1 C7 C12 . . . . 80.8(3) ?
C1 Sn1 C7 C12 . . . . -179.5(3) ?
O1 Sn1 C7 C12 . . . . -77.7(3) ?
N1 Sn1 C7 C12 . . . . -4.0(3) ?
O3 Sn1 C7 C8 . . . . -46.1(3) ?
C1 Sn1 C7 C8 . . . . 53.6(3) ?
O1 Sn1 C7 C8 . . . . 155.4(3) ?
N1 Sn1 C7 C8 . . . . -131.0(3) ?
C20 N1 C21 C25 . . . . -151.0(3) ?
Sn1 N1 C21 C25 . . . . 18.8(3) ?
C20 N1 C21 C22 . . . . 86.3(3) ?
Sn1 N1 C21 C22 . . . . -103.9(2) ?
O2 C25 C21 N1 . . . . 164.9(3) ?
O1 C25 C21 N1 . . . . -16.1(4) ?
O2 C25 C21 C22 . . . . -70.9(4) ?
O1 C25 C21 C22 . . . . 108.0(3) ?
C21 N1 C20 C19 . . . . -177.8(3) ?
Sn1 N1 C20 C19 . . . . 13.6(5) ?
C13 C19 C20 N1 . . . . 0.6(5) ?
C18 C19 C20 N1 . . . . -179.7(3) ?
O3 Sn1 C1 C6 . . . . 46.7(2) ?
C7 Sn1 C1 C6 . . . . -53.2(3) ?
O1 Sn1 C1 C6 . . . . -151.1(2) ?
N1 Sn1 C1 C6 . . . . 131.4(2) ?
O3 Sn1 C1 C2 . . . . 170.2(2) ?
C7 Sn1 C1 C2 . . . . 70.4(2) ?
O1 Sn1 C1 C2 . . . . -27.6(2) ?
N1 Sn1 C1 C2 . . . . -105.1(2) ?
O4 C14 C16 C17 . . . . -179.5(3) ?
C13 C14 C16 C17 . . . . 0.0(5) ?
C13 C19 C18 C17 . . . . -0.4(5) ?
C20 C19 C18 C17 . . . . 179.8(3) ?
C6 C1 C2 C3 . . . . -55.8(4) ?
Sn1 C1 C2 C3 . . . . -179.4(2) ?
C2 C1 C6 C5 . . . . 54.9(4) ?
Sn1 C1 C6 C5 . . . . 179.3(3) ?
C19 C18 C17 C16 . . . . -0.4(6) ?
C14 C16 C17 C18 . . . . 0.6(6) ?
C1 C6 C5 C4 . . . . -55.1(4) ?
N1 C21 C22 C24 . . . . 58.4(4) ?
C25 C21 C22 C24 . . . . -63.9(3) ?
N1 C21 C22 C23 . . . . -67.5(4) ?
C25 C21 C22 C23 . . . . 170.2(3) ?
C1 C2 C3 C4 . . . . 57.4(4) ?
C12 C7 C8 C9 . . . . 54.6(5) ?
Sn1 C7 C8 C9 . . . . -176.1(3) ?
C9 C10 C11 C12 . . . . -54.3(6) ?
C6 C5 C4 C3 . . . . 55.4(4) ?
C2 C3 C4 C5 . . . . -56.7(4) ?
C11 C10 C9 C8 . . . . 55.3(6) ?
C7 C8 C9 C10 . . . . -56.0(5) ?
C8 C7 C12 C11 . . . . -53.9(5) ?
Sn1 C7 C12 C11 . . . . 177.8(4) ?
C10 C11 C12 C7 . . . . 54.3(7) ?
