#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/42/2224257.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_2224257
loop_
_publ_author_name
'Danish, Muhammad'
'Tahir, M. Nawaz'
'Ahmad, Nazir'
'Ali, Saqib'
'Badshah, Amin'
_publ_section_title
;
 Tricyclohexyl[2-(2,3-dimethylanilino)benzoato-κO]tin(IV)
;
_journal_coeditor_code           HB5223
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1614
_journal_paper_doi               10.1107/S1600536809048314
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Sn (C6 H11)3 (C15 H14 N O2)]'
_chemical_formula_moiety         'C33 H47 N O2 Sn'
_chemical_formula_sum            'C33 H47 N O2 Sn'
_chemical_formula_weight         608.41
_chemical_name_systematic
;
Tricyclohexyl[2-(2,3-dimethylanilino)benzoato-κO]tin(IV)
;
_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                109.8720(10)
_cell_angle_beta                 90.616(2)
_cell_angle_gamma                110.5480(10)
_cell_formula_units_Z            2
_cell_length_a                   9.6093(2)
_cell_length_b                   12.0104(3)
_cell_length_c                   15.5241(4)
_cell_measurement_reflns_used    7684
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      2.29
_cell_volume                     1560.47(7)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2009)'
_computing_publication_material
;
WinGX (Farrugia, 1999) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 7.40
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       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  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            31924
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         2.29
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.846
_exptl_absorpt_correction_T_max  0.841
_exptl_absorpt_correction_T_min  0.797
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.298
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             636
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.373
_refine_diff_density_min         -0.487
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         7684
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0863
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0862P)²+1.3991P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1441
_refine_ls_wR_factor_ref         0.1661
_reflns_number_gt                5308
_reflns_number_total             7684
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hb5223.cif
_cod_data_source_block           I
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

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.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1560.47(6)
_cod_database_code               2224257
_cod_database_fobs_code          2224257
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
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 Sn 0.36022(4) 0.37096(3) 0.16644(2) 0.06337(15) Uani d . 1 C .
O O1 0.2926(4) 0.4860(3) 0.1161(2) 0.0701(8) Uani d . 1 . .
O O2 0.3934(5) 0.6278(3) 0.2549(2) 0.0815(10) Uani d . 1 . .
N N1 0.3785(6) 0.8571(4) 0.3012(3) 0.0864(14) Uani d . 1 . .
H H1 0.413(7) 0.803(6) 0.314(5) 0.104 Uiso d . 1 . .
C C1 0.2665(5) 0.6839(4) 0.1546(3) 0.0565(10) Uani d . 1 . .
C C2 0.2909(6) 0.8087(4) 0.2175(3) 0.0622(11) Uani d . 1 . .
C C3 0.2220(7) 0.8792(5) 0.1918(4) 0.0785(14) Uani d . 1 . .
H H3 0.2350 0.9605 0.2328 0.094 Uiso calc R 1 . .
C C4 0.1360(8) 0.8315(6) 0.1077(4) 0.0930(18) Uani d . 1 . .
H H4 0.0912 0.8809 0.0926 0.112 Uiso calc R 1 . .
C C5 0.1136(8) 0.7119(6) 0.0446(4) 0.097(2) Uani d . 1 . .
H H5 0.0558 0.6808 -0.0131 0.116 Uiso calc R 1 . .
C C6 0.1779(6) 0.6405(5) 0.0685(3) 0.0740(13) Uani d . 1 . .
H H6 0.1627 0.5594 0.0261 0.089 Uiso calc R 1 . .
C C7 0.3235(5) 0.5990(4) 0.1789(3) 0.0604(10) Uani d . 1 . .
C C8 0.3998(7) 0.9770(5) 0.3718(3) 0.0735(13) Uani d . 1 . .
C C9 0.5116(9) 1.0862(6) 0.3712(5) 0.103(2) Uani d . 1 . .
H H9 0.5696 1.0827 0.3235 0.124 Uiso calc R 1 . .
C C10 0.5363(10) 1.1996(6) 0.4415(6) 0.118(2) Uani d . 1 . .
H H10 0.6094 1.2745 0.4409 0.141 Uiso calc R 1 . .
C C11 0.4540(10) 1.2034(6) 0.5126(5) 0.106(2) Uani d . 1 . .
H H11 0.4765 1.2806 0.5619 0.127 Uiso calc R 1 . .
C C12 0.3412(7) 1.0990(6) 0.5138(4) 0.0885(17) Uani d . 1 . .
C C13 0.3121(6) 0.9806(5) 0.4406(4) 0.0790(14) Uani d . 1 . .
C C14 0.2511(10) 1.1074(10) 0.5923(6) 0.147(4) Uani d . 1 . .
H H14A 0.2621 1.1946 0.6240 0.220 Uiso calc R 1 . .
H H14B 0.2864 1.0773 0.6347 0.220 Uiso calc R 1 . .
H H14C 0.1471 1.0556 0.5686 0.220 Uiso calc R 1 . .
C C15 0.1874(8) 0.8636(7) 0.4391(6) 0.116(2) Uani d . 1 . .
H H15A 0.0980 0.8815 0.4500 0.174 Uiso calc R 1 . .
H H15B 0.2139 0.8371 0.4866 0.174 Uiso calc R 1 . .
H H15C 0.1697 0.7966 0.3798 0.174 Uiso calc R 1 . .
C C16 0.5928(6) 0.4556(6) 0.2219(5) 0.0889(16) Uani d D 1 . .
H H16 0.5985 0.5098 0.2864 0.107 Uiso calc R 1 A 1
C C19 0.9166(8) 0.5092(8) 0.2374(7) 0.1222(16) Uani d D 1 . .
H H19A 1.0163 0.5592 0.2728 0.147 Uiso calc R 1 B 1
H H19B 0.9249 0.4457 0.1812 0.147 Uiso calc R 1 B 1
C C17A 0.666(2) 0.360(2) 0.227(2) 0.1222(16) Uani d PD 0.50 C 1
H H17A 0.6016 0.2988 0.2509 0.147 Uiso calc PR 0.50 C 1
H H17B 0.6830 0.3142 0.1656 0.147 Uiso calc PR 0.50 C 1
C C18A 0.8174(18) 0.4443(17) 0.2926(13) 0.1222(16) Uani d PD 0.50 C 1
H H18A 0.8035 0.5062 0.3476 0.147 Uiso calc PR 0.50 C 1
H H18B 0.8593 0.3918 0.3111 0.147 Uiso calc PR 0.50 C 1
C C20A 0.856(3) 0.594(2) 0.2134(18) 0.1222(16) Uani d PD 0.50 C 1
H H20A 0.9105 0.6189 0.1666 0.147 Uiso calc PR 0.50 C 1
H H20B 0.8791 0.6707 0.2680 0.147 Uiso calc PR 0.50 C 1
C C21A 0.687(2) 0.544(5) 0.178(4) 0.1222(16) Uani d PD 0.50 C 1
H H21A 0.6568 0.6164 0.1906 0.147 Uiso calc PR 0.50 C 1
H H21B 0.6704 0.4997 0.1112 0.147 Uiso calc PR 0.50 C 1
C C17B 0.6452(19) 0.363(2) 0.237(2) 0.1222(16) Uani d PD 0.50 C 2
H H17C 0.6101 0.2864 0.1815 0.147 Uiso calc PR 0.50 C 2
H H17D 0.5954 0.3392 0.2862 0.147 Uiso calc PR 0.50 C 2
C C18B 0.8160(16) 0.3987(15) 0.2633(14) 0.1222(16) Uani d PD 0.50 C 2
H H18C 0.8381 0.4214 0.3296 0.147 Uiso calc PR 0.50 C 2
H H18D 0.8404 0.3243 0.2326 0.147 Uiso calc PR 0.50 C 2
C C20B 0.860(3) 0.615(2) 0.2389(18) 0.1222(16) Uani d PD 0.50 C 2
H H20C 0.9265 0.6702 0.2111 0.147 Uiso calc PR 0.50 C 2
H H20D 0.8580 0.6656 0.3021 0.147 Uiso calc PR 0.50 C 2
C C21B 0.701(2) 0.548(5) 0.183(4) 0.1222(16) Uani d PD 0.50 C 2
H H21C 0.6621 0.6125 0.1834 0.147 Uiso calc PR 0.50 C 2
H H21D 0.7066 0.5014 0.1194 0.147 Uiso calc PR 0.50 C 2
C C22 0.2180(7) 0.3375(5) 0.2686(4) 0.0855(15) Uani d D 1 . .
H H22 0.1377 0.3585 0.2470 0.103 Uiso calc R 1 C 1
C C25 0.1326(12) 0.2839(8) 0.4341(6) 0.152(3) Uani d D 1 . .
H H25A 0.0785 0.2655 0.4832 0.182 Uiso calc R 1 D 1
H H25B 0.2288 0.2752 0.4385 0.182 Uiso calc R 1 D 1
C C23A 0.263(3) 0.441(3) 0.3636(15) 0.152(3) Uani d P 0.50 C 1
H H23A 0.2702 0.5215 0.3583 0.182 Uiso calc PR 0.50 C 1
H H23B 0.3610 0.4525 0.3900 0.182 Uiso calc PR 0.50 C 1
C C24A 0.146(3) 0.4080(17) 0.4296(17) 0.152(3) Uani d PD 0.50 C 1
H H24A 0.1786 0.4741 0.4910 0.182 Uiso calc PR 0.50 C 1
H H24B 0.0488 0.4029 0.4060 0.182 Uiso calc PR 0.50 C 1
C C26A 0.040(2) 0.207(2) 0.3386(10) 0.152(3) Uani d PD 0.50 C 1
H H26A -0.0338 0.2430 0.3327 0.182 Uiso calc PR 0.50 C 1
H H26B -0.0142 0.1207 0.3356 0.182 Uiso calc PR 0.50 C 1
C C27A 0.123(2) 0.1990(16) 0.2542(13) 0.152(3) Uani d PD 0.50 C 1
H H27A 0.1858 0.1504 0.2513 0.182 Uiso calc PR 0.50 C 1
H H27B 0.0520 0.1588 0.1974 0.182 Uiso calc PR 0.50 C 1
C C23B 0.307(2) 0.418(2) 0.3655(12) 0.152(3) Uani d PD 0.50 C 2
H H23C 0.3851 0.3867 0.3737 0.182 Uiso calc PR 0.50 C 2
H H23D 0.3563 0.5053 0.3696 0.182 Uiso calc PR 0.50 C 2
C C24B 0.216(2) 0.4165(16) 0.4436(16) 0.152(3) Uani d PD 0.50 C 2
H H24C 0.2819 0.4627 0.5025 0.182 Uiso calc PR 0.50 C 2
H H24D 0.1465 0.4582 0.4418 0.182 Uiso calc PR 0.50 C 2
C C26B 0.094(3) 0.1719(17) 0.3434(11) 0.152(3) Uani d PD 0.50 C 2
H H26C -0.0102 0.1438 0.3175 0.182 Uiso calc PR 0.50 C 2
H H26D 0.1099 0.1009 0.3524 0.182 Uiso calc PR 0.50 C 2
C C27B 0.199(3) 0.220(2) 0.2790(14) 0.152(3) Uani d PD 0.50 C 2
H H27C 0.2975 0.2250 0.2992 0.182 Uiso calc PR 0.50 C 2
H H27D 0.1646 0.1533 0.2178 0.182 Uiso calc PR 0.50 C 2
C C28 0.2913(7) 0.2114(5) 0.0371(4) 0.0813(15) Uani d D 1 . .
H H28 0.1818 0.1731 0.0324 0.098 Uiso calc R 1 C 1
C C29A 0.317(3) 0.2527(16) -0.0469(10) 0.122(2) Uani d PD 0.50 C 1
H H29A 0.2636 0.3084 -0.0453 0.146 Uiso calc PR 0.50 C 1
H H29B 0.4233 0.3010 -0.0428 0.146 Uiso calc PR 0.50 C 1
C C30A 0.265(3) 0.1407(16) -0.1369(12) 0.122(2) Uani d PD 0.50 C 1
H H30A 0.2995 0.1704 -0.1865 0.146 Uiso calc PR 0.50 C 1
H H30B 0.1557 0.1059 -0.1479 0.146 Uiso calc PR 0.50 C 1
C C31A 0.318(3) 0.0348(17) -0.1409(10) 0.122(2) Uani d PD 0.50 C 1
H H31A 0.2743 -0.0370 -0.1989 0.146 Uiso calc PR 0.50 C 1
H H31B 0.4265 0.0650 -0.1371 0.146 Uiso calc PR 0.50 C 1
C C32A 0.273(3) -0.0041(18) -0.0648(10) 0.122(2) Uani d PD 0.50 C 1
H H32A 0.3045 -0.0733 -0.0672 0.146 Uiso calc PR 0.50 C 1
H H32B 0.1643 -0.0355 -0.0699 0.146 Uiso calc PR 0.50 C 1
C C33A 0.341(3) 0.1060(18) 0.0271(11) 0.122(2) Uani d PD 0.50 C 1
H H33A 0.3130 0.0755 0.0772 0.146 Uiso calc PR 0.50 C 1
H H33B 0.4498 0.1373 0.0320 0.146 Uiso calc PR 0.50 C 1
C C29B 0.370(2) 0.2433(15) -0.0391(10) 0.122(2) Uani d PD 0.50 C 2
H H29C 0.4776 0.2706 -0.0222 0.146 Uiso calc PR 0.50 C 2
H H29D 0.3509 0.3136 -0.0469 0.146 Uiso calc PR 0.50 C 2
C C30B 0.317(3) 0.1273(16) -0.1317(11) 0.122(2) Uani d PD 0.50 C 2
H H30C 0.2114 0.1038 -0.1520 0.146 Uiso calc PR 0.50 C 2
H H30D 0.3737 0.1487 -0.1790 0.146 Uiso calc PR 0.50 C 2
C C31B 0.341(3) 0.0201(16) -0.1169(10) 0.122(2) Uani d PD 0.50 C 2
H H31C 0.2969 -0.0548 -0.1731 0.146 Uiso calc PR 0.50 C 2
H H31D 0.4482 0.0400 -0.1091 0.146 Uiso calc PR 0.50 C 2
C C32B 0.283(3) -0.0146(17) -0.0404(9) 0.122(2) Uani d PD 0.50 C 2
H H32C 0.3212 -0.0761 -0.0331 0.146 Uiso calc PR 0.50 C 2
H H32D 0.1743 -0.0555 -0.0545 0.146 Uiso calc PR 0.50 C 2
C C33B 0.324(3) 0.0971(18) 0.0484(11) 0.122(2) Uani d PD 0.50 C 2
H H33C 0.4304 0.1255 0.0705 0.146 Uiso calc PR 0.50 C 2
H H33D 0.2681 0.0713 0.0945 0.146 Uiso calc PR 0.50 C 2
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
O1 Sn C16 . . 112.38(18) ?
O1 Sn C28 . . 94.52(17) ?
C16 Sn C28 . . 117.4(3) ?
O1 Sn C22 . . 105.4(2) ?
C16 Sn C22 . . 112.4(2) ?
C28 Sn C22 . . 112.7(2) ?
C7 O1 Sn . . 111.7(3) ?
C2 N1 C8 . . 124.6(4) ?
C2 N1 H1 . . 115(4) ?
C8 N1 H1 . . 120(4) ?
C6 C1 C2 . . 117.8(4) ?
C6 C1 C7 . . 120.1(4) ?
C2 C1 C7 . . 122.0(4) ?
N1 C2 C3 . . 121.2(4) ?
N1 C2 C1 . . 120.5(4) ?
C3 C2 C1 . . 118.2(4) ?
C4 C3 C2 . . 121.3(5) ?
C4 C3 H3 . . 119.4 ?
C2 C3 H3 . . 119.4 ?
C3 C4 C5 . . 121.6(5) ?
C3 C4 H4 . . 119.2 ?
C5 C4 H4 . . 119.2 ?
C6 C5 C4 . . 118.3(5) ?
C6 C5 H5 . . 120.8 ?
C4 C5 H5 . . 120.8 ?
C5 C6 C1 . . 122.7(5) ?
C5 C6 H6 . . 118.6 ?
C1 C6 H6 . . 118.6 ?
O2 C7 O1 . . 119.8(4) ?
O2 C7 C1 . . 123.5(4) ?
O1 C7 C1 . . 116.7(4) ?
C13 C8 C9 . . 121.3(5) ?
C13 C8 N1 . . 119.2(5) ?
C9 C8 N1 . . 119.5(6) ?
C10 C9 C8 . . 119.1(7) ?
C10 C9 H9 . . 120.4 ?
C8 C9 H9 . . 120.4 ?
C11 C10 C9 . . 120.1(7) ?
C11 C10 H10 . . 119.9 ?
C9 C10 H10 . . 119.9 ?
C12 C11 C10 . . 122.0(6) ?
C12 C11 H11 . . 119.0 ?
C10 C11 H11 . . 119.0 ?
C11 C12 C13 . . 118.6(6) ?
C11 C12 C14 . . 120.5(7) ?
C13 C12 C14 . . 120.8(7) ?
C8 C13 C12 . . 118.7(6) ?
C8 C13 C15 . . 121.2(5) ?
C12 C13 C15 . . 120.1(6) ?
C12 C14 H14A . . 109.5 ?
C12 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
C12 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
C13 C15 H15A . . 109.5 ?
C13 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C13 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
C17B C16 C21A . . 119(2) ?
C17B C16 C21B . . 115.7(19) ?
C21A C16 C17A . . 110(2) ?
C21B C16 C17A . . 107(2) ?
C17B C16 Sn . . 111.2(9) ?
C21A C16 Sn . . 114.0(11) ?
C21B C16 Sn . . 119.1(10) ?
C17A C16 Sn . . 115.2(8) ?
C17B C16 H16 . . 99.3 ?
C21A C16 H16 . . 105.4 ?
C21B C16 H16 . . 103.0 ?
C17A C16 H16 . . 105.4 ?
Sn C16 H16 . . 105.4 ?
C20A C19 C18A . . 110.5(14) ?
C20A C19 C18B . . 121.2(14) ?
C18A C19 C20B . . 103.6(14) ?
C18B C19 C20B . . 118.9(13) ?
C20A C19 H19A . . 109.5 ?
C18A C19 H19A . . 109.5 ?
C18B C19 H19A . . 117.6 ?
C20B C19 H19A . . 101.4 ?
C20A C19 H19B . . 109.5 ?
C18A C19 H19B . . 109.5 ?
C18B C19 H19B . . 87.6 ?
C20B C19 H19B . . 123.9 ?
H19A C19 H19B . . 108.1 ?
C18A C17A C16 . . 105.3(15) ?
C18A C17A H17A . . 110.7 ?
C16 C17A H17A . . 110.7 ?
C18A C17A H17B . . 110.7 ?
C16 C17A H17B . . 110.7 ?
H17A C17A H17B . . 108.8 ?
C19 C18A C17A . . 104.7(15) ?
C19 C18A H18A . . 110.8 ?
C17A C18A H18A . . 110.8 ?
C19 C18A H18B . . 110.8 ?
C17A C18A H18B . . 110.8 ?
H18A C18A H18B . . 108.9 ?
C19 C20A C21A . . 119(2) ?
C19 C20A H20A . . 107.5 ?
C21A C20A H20A . . 107.5 ?
C19 C20A H20B . . 107.5 ?
C21A C20A H20B . . 107.5 ?
H20A C20A H20B . . 107.0 ?
C16 C21A C20A . . 112(2) ?
C16 C21A H21A . . 109.1 ?
C20A C21A H21A . . 109.1 ?
C16 C21A H21B . . 109.1 ?
C20A C21A H21B . . 109.1 ?
H21A C21A H21B . . 107.9 ?
C16 C17B C18B . . 119.5(15) ?
C16 C17B H17C . . 107.4 ?
C18B C17B H17C . . 107.4 ?
C16 C17B H17D . . 107.4 ?
C18B C17B H17D . . 107.4 ?
H17C C17B H17D . . 107.0 ?
C19 C18B C17B . . 114.2(13) ?
C19 C18B H18C . . 108.7 ?
C17B C18B H18C . . 108.7 ?
C19 C18B H18D . . 108.7 ?
C17B C18B H18D . . 108.7 ?
H18C C18B H18D . . 107.6 ?
C19 C20B C21B . . 107(2) ?
C19 C20B H20C . . 110.3 ?
C21B C20B H20C . . 110.3 ?
C19 C20B H20D . . 110.3 ?
C21B C20B H20D . . 110.3 ?
H20C C20B H20D . . 108.5 ?
C16 C21B C20B . . 113(2) ?
C16 C21B H21C . . 109.0 ?
C20B C21B H21C . . 109.0 ?
C16 C21B H21D . . 109.0 ?
C20B C21B H21D . . 109.0 ?
H21C C21B H21D . . 107.8 ?
C27B C22 C23A . . 108.1(14) ?
C23A C22 C27A . . 121.5(13) ?
C27B C22 C23B . . 93.1(14) ?
C27A C22 C23B . . 114.6(13) ?
C27B C22 Sn . . 112.3(9) ?
C23A C22 Sn . . 116.5(10) ?
C27A C22 Sn . . 117.5(7) ?
C23B C22 Sn . . 109.6(9) ?
C27B C22 H22 . . 125.4 ?
C23A C22 H22 . . 97.1 ?
C27A C22 H22 . . 97.1 ?
C23B C22 H22 . . 119.7 ?
Sn C22 H22 . . 97.1 ?
C24B C25 C26B . . 123.4(13) ?
C24A C25 C26B . . 117.1(14) ?
C24B C25 C26A . . 110.5(14) ?
C24A C25 C26A . . 93.7(15) ?
C24B C25 H25A . . 120.1 ?
C24A C25 H25A . . 113.0 ?
C26B C25 H25A . . 115.0 ?
C26A C25 H25A . . 113.0 ?
C24B C25 H25B . . 87.4 ?
C24A C25 H25B . . 113.0 ?
C26B C25 H25B . . 85.3 ?
C26A C25 H25B . . 113.0 ?
H25A C25 H25B . . 110.4 ?
C22 C23A C24A . . 111.2(19) ?
C22 C23A H23A . . 109.4 ?
C24A C23A H23A . . 109.4 ?
C22 C23A H23B . . 109.4 ?
C24A C23A H23B . . 109.4 ?
H23A C23A H23B . . 108.0 ?
C25 C24A C23A . . 108.5(17) ?
C25 C24A H24A . . 110.0 ?
C23A C24A H24A . . 110.0 ?
C25 C24A H24B . . 110.0 ?
C23A C24A H24B . . 110.0 ?
H24A C24A H24B . . 108.4 ?
C25 C26A C27A . . 118.1(15) ?
C25 C26A H26A . . 107.8 ?
C27A C26A H26A . . 107.8 ?
C25 C26A H26B . . 107.8 ?
C27A C26A H26B . . 107.8 ?
H26A C26A H26B . . 107.1 ?
C22 C27A C26A . . 104.8(14) ?
C22 C27A H27A . . 110.8 ?
C26A C27A H27A . . 110.8 ?
C22 C27A H27B . . 110.8 ?
C26A C27A H27B . . 110.8 ?
H27A C27A H27B . . 108.9 ?
C24B C23B C22 . . 115.1(17) ?
C24B C23B H23C . . 108.5 ?
C22 C23B H23C . . 108.5 ?
C24B C23B H23D . . 108.5 ?
C22 C23B H23D . . 108.5 ?
H23C C23B H23D . . 107.5 ?
C25 C24B C23B . . 109.0(17) ?
C25 C24B H24C . . 109.9 ?
C23B C24B H24C . . 109.9 ?
C25 C24B H24D . . 109.9 ?
C23B C24B H24D . . 109.9 ?
H24C C24B H24D . . 108.3 ?
C25 C26B C27B . . 106.1(14) ?
C25 C26B H26C . . 110.5 ?
C27B C26B H26C . . 110.5 ?
C25 C26B H26D . . 110.5 ?
C27B C26B H26D . . 110.5 ?
H26C C26B H26D . . 108.7 ?
C22 C27B C26B . . 121.4(18) ?
C22 C27B H27C . . 107.0 ?
C26B C27B H27C . . 107.0 ?
C22 C27B H27D . . 107.0 ?
C26B C27B H27D . . 107.0 ?
H27C C27B H27D . . 106.7 ?
C33A C28 C29B . . 93.9(10) ?
C33A C28 C29A . . 111.0(9) ?
C29B C28 C33B . . 108.4(9) ?
C29A C28 C33B . . 125.4(9) ?
C33A C28 Sn . . 118.3(9) ?
C29B C28 Sn . . 112.6(7) ?
C29A C28 Sn . . 112.6(7) ?
C33B C28 Sn . . 109.8(7) ?
C33A C28 H28 . . 104.4 ?
C29B C28 H28 . . 123.6 ?
C29A C28 H28 . . 104.4 ?
C33B C28 H28 . . 96.6 ?
Sn C28 H28 . . 104.4 ?
C30A C29A C28 . . 112.1(12) ?
C30A C29A H29A . . 109.2 ?
C28 C29A H29A . . 109.2 ?
C30A C29A H29B . . 109.2 ?
C28 C29A H29B . . 109.2 ?
H29A C29A H29B . . 107.9 ?
C29A C30A C31A . . 114.3(13) ?
C29A C30A H30A . . 108.7 ?
C31A C30A H30A . . 108.7 ?
C29A C30A H30B . . 108.7 ?
C31A C30A H30B . . 108.7 ?
H30A C30A H30B . . 107.6 ?
C32A C31A C30A . . 108.4(13) ?
C32A C31A H31A . . 110.0 ?
C30A C31A H31A . . 110.0 ?
C32A C31A H31B . . 110.0 ?
C30A C31A H31B . . 110.0 ?
H31A C31A H31B . . 108.4 ?
C31A C32A C33A . . 111.3(15) ?
C31A C32A H32A . . 109.4 ?
C33A C32A H32A . . 109.4 ?
C31A C32A H32B . . 109.4 ?
C33A C32A H32B . . 109.4 ?
H32A C32A H32B . . 108.0 ?
C28 C33A C32A . . 112.1(16) ?
C28 C33A H33A . . 109.2 ?
C32A C33A H33A . . 109.2 ?
C28 C33A H33B . . 109.2 ?
C32A C33A H33B . . 109.2 ?
H33A C33A H33B . . 107.9 ?
C28 C29B C30B . . 111.6(13) ?
C28 C29B H29C . . 109.3 ?
C30B C29B H29C . . 109.3 ?
C28 C29B H29D . . 109.3 ?
C30B C29B H29D . . 109.3 ?
H29C C29B H29D . . 108.0 ?
C31B C30B C29B . . 108.2(12) ?
C31B C30B H30C . . 110.1 ?
C29B C30B H30C . . 110.1 ?
C31B C30B H30D . . 110.1 ?
C29B C30B H30D . . 110.1 ?
H30C C30B H30D . . 108.4 ?
C32B C31B C30B . . 118.5(14) ?
C32B C31B H31C . . 107.7 ?
C30B C31B H31C . . 107.7 ?
C32B C31B H31D . . 107.7 ?
C30B C31B H31D . . 107.7 ?
H31C C31B H31D . . 107.1 ?
C31B C32B C33B . . 112.9(13) ?
C31B C32B H32C . . 109.0 ?
C33B C32B H32C . . 109.0 ?
C31B C32B H32D . . 109.0 ?
C33B C32B H32D . . 109.0 ?
H32C C32B H32D . . 107.8 ?
C32B C33B C28 . . 111.8(12) ?
C32B C33B H33C . . 109.3 ?
C28 C33B H33C . . 109.3 ?
C32B C33B H33D . . 109.3 ?
C28 C33B H33D . . 109.3 ?
H33C C33B H33D . . 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
Sn O1 . 2.073(3) y
Sn C16 . 2.130(6) y
Sn C28 . 2.147(5) y
Sn C22 . 2.153(6) y
O1 C7 . 1.300(5) ?
O2 C7 . 1.228(5) ?
N1 C2 . 1.362(6) ?
N1 C8 . 1.425(6) ?
N1 H1 . 0.90(7) ?
C1 C6 . 1.405(6) ?
C1 C2 . 1.417(6) ?
C1 C7 . 1.460(6) ?
C2 C3 . 1.390(7) ?
C3 C4 . 1.360(8) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.375(8) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.356(8) ?
C5 H5 . 0.9300 ?
C6 H6 . 0.9300 ?
C8 C13 . 1.366(8) ?
C8 C9 . 1.376(9) ?
C9 C10 . 1.364(9) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.362(11) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.346(10) ?
C11 H11 . 0.9300 ?
C12 C13 . 1.417(7) ?
C12 C14 . 1.499(11) ?
C13 C15 . 1.485(9) ?
C14 H14A . 0.9600 ?
C14 H14B . 0.9600 ?
C14 H14C . 0.9600 ?
C15 H15A . 0.9600 ?
C15 H15B . 0.9600 ?
C15 H15C . 0.9600 ?
C16 C17B . 1.461(16) ?
C16 C21A . 1.503(17) ?
C16 C21B . 1.527(17) ?
C16 C17A . 1.560(15) ?
C16 H16 . 0.9800 ?
C19 C20A . 1.477(16) ?
C19 C18A . 1.483(15) ?
C19 C18B . 1.525(14) ?
C19 C20B . 1.534(16) ?
C19 H19A . 0.9700 ?
C19 H19B . 0.9700 ?
C17A C18A . 1.557(18) ?
C17A H17A . 0.9700 ?
C17A H17B . 0.9700 ?
C18A H18A . 0.9700 ?
C18A H18B . 0.9700 ?
C20A C21A . 1.535(17) ?
C20A H20A . 0.9700 ?
C20A H20B . 0.9700 ?
C21A H21A . 0.9700 ?
C21A H21B . 0.9700 ?
C17B C18B . 1.553(16) ?
C17B H17C . 0.9700 ?
C17B H17D . 0.9700 ?
C18B H18C . 0.9700 ?
C18B H18D . 0.9700 ?
C20B C21B . 1.540(17) ?
C20B H20C . 0.9700 ?
C20B H20D . 0.9700 ?
C21B H21C . 0.9700 ?
C21B H21D . 0.9700 ?
C22 C27B . 1.43(2) ?
C22 C23A . 1.51(2) ?
C22 C27A . 1.526(15) ?
C22 C23B . 1.527(17) ?
C22 H22 . 0.9800 ?
C25 C24B . 1.464(15) ?
C25 C24A . 1.478(16) ?
C25 C26B . 1.510(15) ?
C25 C26A . 1.519(16) ?
C25 H25A . 0.9700 ?
C25 H25B . 0.9700 ?
C23A C24A . 1.57(3) ?
C23A H23A . 0.9700 ?
C23A H23B . 0.9700 ?
C24A H24A . 0.9700 ?
C24A H24B . 0.9700 ?
C26A C27A . 1.531(16) ?
C26A H26A . 0.9700 ?
C26A H26B . 0.9700 ?
C27A H27A . 0.9700 ?
C27A H27B . 0.9700 ?
C23B C24B . 1.505(17) ?
C23B H23C . 0.9700 ?
C23B H23D . 0.9700 ?
C24B H24C . 0.9700 ?
C24B H24D . 0.9700 ?
C26B C27B . 1.531(16) ?
C26B H26C . 0.9700 ?
C26B H26D . 0.9700 ?
C27B H27C . 0.9700 ?
C27B H27D . 0.9700 ?
C28 C33A . 1.465(15) ?
C28 C29B . 1.498(14) ?
C28 C29A . 1.539(14) ?
C28 C33B . 1.576(14) ?
C28 H28 . 0.9800 ?
C29A C30A . 1.500(15) ?
C29A H29A . 0.9700 ?
C29A H29B . 0.9700 ?
C30A C31A . 1.513(14) ?
C30A H30A . 0.9700 ?
C30A H30B . 0.9700 ?
C31A C32A . 1.429(14) ?
C31A H31A . 0.9700 ?
C31A H31B . 0.9700 ?
C32A C33A . 1.52(2) ?
C32A H32A . 0.9700 ?
C32A H32B . 0.9700 ?
C33A H33A . 0.9700 ?
C33A H33B . 0.9700 ?
C29B C30B . 1.546(15) ?
C29B H29C . 0.9700 ?
C29B H29D . 0.9700 ?
C30B C31B . 1.474(12) ?
C30B H30C . 0.9700 ?
C30B H30D . 0.9700 ?
C31B C32B . 1.442(15) ?
C31B H31C . 0.9700 ?
C31B H31D . 0.9700 ?
C32B C33B . 1.488(16) ?
C32B H32C . 0.9700 ?
C32B H32D . 0.9700 ?
C33B H33C . 0.9700 ?
C33B H33D . 0.9700 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1 O2 . 0.90(7) 1.93(7) 2.656(6) 137(6) yes
C23A H23A O2 . 0.97 2.45 3.17(3) 132 yes
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
C16 Sn O1 C7 . . . . -55.7(4) ?
C28 Sn O1 C7 . . . . -177.9(3) ?
C22 Sn O1 C7 . . . . 67.1(4) ?
C8 N1 C2 C3 . . . . 4.6(9) ?
C8 N1 C2 C1 . . . . -174.8(5) ?
C6 C1 C2 N1 . . . . -178.5(5) ?
C7 C1 C2 N1 . . . . 4.8(7) ?
C6 C1 C2 C3 . . . . 2.0(7) ?
C7 C1 C2 C3 . . . . -174.6(5) ?
N1 C2 C3 C4 . . . . 179.2(6) ?
C1 C2 C3 C4 . . . . -1.4(9) ?
C2 C3 C4 C5 . . . . -0.2(11) ?
C3 C4 C5 C6 . . . . 1.0(11) ?
C4 C5 C6 C1 . . . . -0.3(10) ?
C2 C1 C6 C5 . . . . -1.3(8) ?
C7 C1 C6 C5 . . . . 175.5(6) ?
Sn O1 C7 O2 . . . . 4.3(6) ?
Sn O1 C7 C1 . . . . -173.5(3) ?
C6 C1 C7 O2 . . . . -175.3(5) ?
C2 C1 C7 O2 . . . . 1.3(7) ?
C6 C1 C7 O1 . . . . 2.5(7) ?
C2 C1 C7 O1 . . . . 179.1(4) ?
C2 N1 C8 C13 . . . . 95.1(7) ?
C2 N1 C8 C9 . . . . -87.1(8) ?
C13 C8 C9 C10 . . . . 0.9(10) ?
N1 C8 C9 C10 . . . . -176.7(6) ?
C8 C9 C10 C11 . . . . 2.0(12) ?
C9 C10 C11 C12 . . . . -4.0(12) ?
C10 C11 C12 C13 . . . . 2.9(10) ?
C10 C11 C12 C14 . . . . -178.8(7) ?
C9 C8 C13 C12 . . . . -2.0(8) ?
N1 C8 C13 C12 . . . . 175.7(5) ?
C9 C8 C13 C15 . . . . 177.5(6) ?
N1 C8 C13 C15 . . . . -4.8(8) ?
C11 C12 C13 C8 . . . . 0.1(8) ?
C14 C12 C13 C8 . . . . -178.2(6) ?
C11 C12 C13 C15 . . . . -179.4(6) ?
C14 C12 C13 C15 . . . . 2.3(9) ?
O1 Sn C16 C17B . . . . -167.1(14) ?
C28 Sn C16 C17B . . . . -59.1(15) ?
C22 Sn C16 C17B . . . . 74.1(15) ?
O1 Sn C16 C21A . . . . -29(3) ?
C28 Sn C16 C21A . . . . 79(3) ?
C22 Sn C16 C21A . . . . -148(3) ?
O1 Sn C16 C21B . . . . -29(3) ?
C28 Sn C16 C21B . . . . 79(3) ?
C22 Sn C16 C21B . . . . -147(3) ?
O1 Sn C16 C17A . . . . -158.0(13) ?
C28 Sn C16 C17A . . . . -49.9(14) ?
C22 Sn C16 C17A . . . . 83.3(13) ?
C17B C16 C17A C18A . . . . -98(12) ?
C21A C16 C17A C18A . . . . 64(3) ?
C21B C16 C17A C18A . . . . 60(3) ?
Sn C16 C17A C18A . . . . -164.7(11) ?
C20A C19 C18A C17A . . . . 63.2(17) ?
C18B C19 C18A C17A . . . . -60(3) ?
C20B C19 C18A C17A . . . . 76.4(16) ?
C16 C17A C18A C19 . . . . -73.9(19) ?
C18A C19 C20A C21A . . . . -45(3) ?
C18B C19 C20A C21A . . . . -24(4) ?
C20B C19 C20A C21A . . . . -108(10) ?
C17B C16 C21A C20A . . . . -40(5) ?
C17A C16 C21A C20A . . . . -43(5) ?
Sn C16 C21A C20A . . . . -175(3) ?
C19 C20A C21A C16 . . . . 34(6) ?
C21A C16 C17B C18B . . . . 35(4) ?
C21B C16 C17B C18B . . . . 31(4) ?
C17A C16 C17B C18B . . . . 54(10) ?
Sn C16 C17B C18B . . . . 170.8(19) ?
C18A C19 C18B C17B . . . . 81(4) ?
C20B C19 C18B C17B . . . . 32(2) ?
C16 C17B C18B C19 . . . . -21(3) ?
C20A C19 C20B C21B . . . . 53(7) ?
C18A C19 C20B C21B . . . . -67(2) ?
C18B C19 C20B C21B . . . . -50(3) ?
C17B C16 C21B C20B . . . . -51(5) ?
C17A C16 C21B C20B . . . . -55(5) ?
Sn C16 C21B C20B . . . . 172(2) ?
C19 C20B C21B C16 . . . . 58(5) ?
O1 Sn C22 C27B . . . . 152.9(11) ?
C16 Sn C22 C27B . . . . -84.3(11) ?
C28 Sn C22 C27B . . . . 51.1(11) ?
O1 Sn C22 C23A . . . . -81.6(13) ?
C16 Sn C22 C23A . . . . 41.1(13) ?
C28 Sn C22 C23A . . . . 176.6(13) ?
O1 Sn C22 C27A . . . . 121.8(12) ?
C16 Sn C22 C27A . . . . -115.5(12) ?
C28 Sn C22 C27A . . . . 20.0(13) ?
O1 Sn C22 C23B . . . . -105.1(12) ?
C16 Sn C22 C23B . . . . 17.6(12) ?
C28 Sn C22 C23B . . . . 153.1(12) ?
C27B C22 C23A C24A . . . . -55(2) ?
C27A C22 C23A C24A . . . . -27(3) ?
C23B C22 C23A C24A . . . . -106(5) ?
Sn C22 C23A C24A . . . . 177.1(13) ?
C24B C25 C24A C23A . . . . 56(3) ?
C26B C25 C24A C23A . . . . -55(2) ?
C26A C25 C24A C23A . . . . -75.2(18) ?
C22 C23A C24A C25 . . . . 57(2) ?
C24B C25 C26A C27A . . . . 59(2) ?
C24A C25 C26A C27A . . . . 79(2) ?
C26B C25 C26A C27A . . . . -63(2) ?
C27B C22 C27A C26A . . . . 92(3) ?
C23A C22 C27A C26A . . . . 23(3) ?
C23B C22 C27A C26A . . . . 47(2) ?
Sn C22 C27A C26A . . . . 178.1(11) ?
C25 C26A C27A C22 . . . . -52(2) ?
C27B C22 C23B C24B . . . . -73(2) ?
C23A C22 C23B C24B . . . . 60(4) ?
C27A C22 C23B C24B . . . . -53(2) ?
Sn C22 C23B C24B . . . . 172.4(16) ?
C24A C25 C24B C23B . . . . -107(4) ?
C26B C25 C24B C23B . . . . -23(3) ?
C26A C25 C24B C23B . . . . -54(2) ?
C22 C23B C24B C25 . . . . 54(3) ?
C24B C25 C26B C27B . . . . 18(3) ?
C24A C25 C26B C27B . . . . 48(2) ?
C26A C25 C26B C27B . . . . 90(3) ?
C23A C22 C27B C26B . . . . 54(2) ?
C27A C22 C27B C26B . . . . -69(3) ?
C23B C22 C27B C26B . . . . 71(2) ?
Sn C22 C27B C26B . . . . -176.1(15) ?
C25 C26B C27B C22 . . . . -48(3) ?
O1 Sn C28 C33A . . . . 167.8(12) ?
C16 Sn C28 C33A . . . . 49.7(12) ?
C22 Sn C28 C33A . . . . -83.4(12) ?
O1 Sn C28 C29B . . . . 59.9(9) ?
C16 Sn C28 C29B . . . . -58.2(9) ?
C22 Sn C28 C29B . . . . 168.7(9) ?
O1 Sn C28 C29A . . . . 36.1(10) ?
C16 Sn C28 C29A . . . . -82.0(10) ?
C22 Sn C28 C29A . . . . 144.9(10) ?
O1 Sn C28 C33B . . . . -179.2(11) ?
C16 Sn C28 C33B . . . . 62.7(11) ?
C22 Sn C28 C33B . . . . -70.4(11) ?
C33A C28 C29A C30A . . . . 46(2) ?
C29B C28 C29A C30A . . . . 87(3) ?
C33B C28 C29A C30A . . . . 43(2) ?
Sn C28 C29A C30A . . . . -178.4(12) ?
C28 C29A C30A C31A . . . . -48(2) ?
C29A C30A C31A C32A . . . . 55(2) ?
C30A C31A C32A C33A . . . . -60(2) ?
C29B C28 C33A C32A . . . . -66.4(18) ?
C29A C28 C33A C32A . . . . -52(2) ?
C33B C28 C33A C32A . . . . 118(9) ?
Sn C28 C33A C32A . . . . 175.2(11) ?
C31A C32A C33A C28 . . . . 62(2) ?
C33A C28 C29B C30B . . . . 57.8(16) ?
C29A C28 C29B C30B . . . . -85(3) ?
C33B C28 C29B C30B . . . . 59.0(18) ?
Sn C28 C29B C30B . . . . -179.2(10) ?
C28 C29B C30B C31B . . . . -56(2) ?
C29B C30B C31B C32B . . . . 51(3) ?
C30B C31B C32B C33B . . . . -49(3) ?
C31B C32B C33B C28 . . . . 49(2) ?
C33A C28 C33B C32B . . . . -50(7) ?
C29B C28 C33B C32B . . . . -55(2) ?
C29A C28 C33B C32B . . . . -39(3) ?
Sn C28 C33B C32B . . . . -178.2(14) ?
