#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/03/2230386.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_2230386
loop_
_publ_author_name
'Keng, Thy Chun'
'Lo, Kong Mun'
'Ng, Seik Weng'
_publ_section_title
;
 catena-Poly[[tribenzyltin(IV)]-μ-4-formyl-2-methoxy-6-nitrophenolato-κ²O¹:O⁴]
;
_journal_coeditor_code           JH2283
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m710
_journal_paper_doi               10.1107/S1600536811016436
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sn (C7 H7)3 (C8 H6 N O5)]'
_chemical_formula_moiety         'C29 H27 N O5 Sn'
_chemical_formula_sum            'C29 H27 N O5 Sn'
_chemical_formula_weight         588.21
_chemical_name_systematic
;
catena-Poly[[tribenzyltin(IV)]-μ-4-formyl-2-methoxy-6-
nitrophenolato-κ²O¹:O⁴]
;
_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                 106.3701(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.12410(10)
_cell_length_b                   16.5829(2)
_cell_length_c                   13.3893(2)
_cell_measurement_reflns_used    9964
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.24
_cell_measurement_theta_min      2.35
_cell_volume                     2582.83(5)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0254
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            25760
_diffrn_reflns_theta_full        28.26
_diffrn_reflns_theta_max         28.26
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.029
_exptl_absorpt_correction_T_max  0.9041
_exptl_absorpt_correction_T_min  0.7830
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.021
_refine_diff_density_min         -0.250
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         6372
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0308
_refine_ls_R_factor_gt           0.0244
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0349P)²+0.8880P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0593
_refine_ls_wR_factor_ref         0.0630
_reflns_number_gt                5545
_reflns_number_total             6372
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            jh2283.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2230386
_cod_database_fobs_code          2230386
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_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_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn Sn1 0.368458(10) 0.189545(7) 0.722727(9) 0.01643(5) Uani d . 1 1 . .
O O1 0.27411(11) 0.13103(7) 0.81338(10) 0.0204(3) Uani d . 1 1 . .
O O2 0.28459(11) 0.27891(8) 0.88378(11) 0.0218(3) Uani d . 1 1 . .
O O3 -0.01389(12) 0.27479(8) 1.10347(11) 0.0262(3) Uani d . 1 1 . .
O O4 0.04948(13) -0.03179(8) 0.87527(11) 0.0296(3) Uani d . 1 1 . .
O O5 0.15153(15) -0.00208(10) 0.77303(13) 0.0426(4) Uani d . 1 1 . .
N N1 0.10833(14) 0.01628(9) 0.84212(12) 0.0218(3) Uani d . 1 1 . .
C C1 0.38886(16) 0.07215(11) 0.66076(14) 0.0209(4) Uani d . 1 1 . .
H H1A 0.4702 0.0645 0.6619 0.025 Uiso calc R 1 1 . .
H H1B 0.3691 0.0300 0.7052 0.025 Uiso calc R 1 1 . .
C C2 0.31382(16) 0.06304(11) 0.55183(14) 0.0215(4) Uani d . 1 1 . .
C C3 0.3568(2) 0.07057(14) 0.46631(17) 0.0343(5) Uani d . 1 1 . .
H H3 0.4368 0.0790 0.4768 0.041 Uiso calc R 1 1 . .
C C4 0.2842(2) 0.06586(17) 0.36588(18) 0.0449(6) Uani d . 1 1 . .
H H4 0.3150 0.0714 0.3084 0.054 Uiso calc R 1 1 . .
C C5 0.1676(2) 0.05316(15) 0.34835(18) 0.0411(6) Uani d . 1 1 . .
H H5 0.1183 0.0501 0.2793 0.049 Uiso calc R 1 1 . .
C C6 0.12380(18) 0.04503(12) 0.43205(18) 0.0315(5) Uani d . 1 1 . .
H H6 0.0438 0.0361 0.4208 0.038 Uiso calc R 1 1 . .
C C7 0.19544(17) 0.04974(11) 0.53232(16) 0.0245(4) Uani d . 1 1 . .
H H7 0.1639 0.0439 0.5893 0.029 Uiso calc R 1 1 . .
C C8 0.23785(17) 0.26471(12) 0.62210(16) 0.0250(4) Uani d . 1 1 . .
H H8A 0.2716 0.3188 0.6193 0.030 Uiso calc R 1 1 . .
H H8B 0.2191 0.2419 0.5510 0.030 Uiso calc R 1 1 . .
C C9 0.12731(16) 0.27558(12) 0.65014(14) 0.0215(4) Uani d . 1 1 . .
C C10 0.05093(18) 0.21194(12) 0.64538(16) 0.0263(4) Uani d . 1 1 . .
H H10 0.0688 0.1603 0.6236 0.032 Uiso calc R 1 1 . .
C C11 -0.05074(17) 0.22273(14) 0.67194(17) 0.0305(4) Uani d . 1 1 . .
H H11 -0.1013 0.1785 0.6689 0.037 Uiso calc R 1 1 . .
C C12 -0.07859(19) 0.29776(14) 0.70286(18) 0.0350(5) Uani d . 1 1 . .
H H12 -0.1483 0.3053 0.7209 0.042 Uiso calc R 1 1 . .
C C13 -0.00443(18) 0.36165(13) 0.70734(18) 0.0325(5) Uani d . 1 1 . .
H H13 -0.0233 0.4133 0.7285 0.039 Uiso calc R 1 1 . .
C C14 0.09776(17) 0.35095(12) 0.68101(15) 0.0259(4) Uani d . 1 1 . .
H H14 0.1479 0.3955 0.6841 0.031 Uiso calc R 1 1 . .
C C15 0.51642(16) 0.22724(12) 0.84500(15) 0.0242(4) Uani d . 1 1 . .
H H15A 0.5502 0.2766 0.8240 0.029 Uiso calc R 1 1 . .
H H15B 0.4943 0.2391 0.9092 0.029 Uiso calc R 1 1 . .
C C16 0.60161(16) 0.15935(12) 0.86363(14) 0.0221(4) Uani d . 1 1 . .
C C17 0.59103(17) 0.09386(12) 0.92531(15) 0.0264(4) Uani d . 1 1 . .
H H17 0.5317 0.0937 0.9589 0.032 Uiso calc R 1 1 . .
C C18 0.66561(18) 0.02880(13) 0.93860(16) 0.0305(4) Uani d . 1 1 . .
H H18 0.6574 -0.0152 0.9814 0.037 Uiso calc R 1 1 . .
C C19 0.75189(19) 0.02786(15) 0.88964(17) 0.0346(5) Uani d . 1 1 . .
H H19 0.8027 -0.0169 0.8981 0.042 Uiso calc R 1 1 . .
C C20 0.76353(18) 0.09220(15) 0.82865(17) 0.0368(5) Uani d . 1 1 . .
H H20 0.8227 0.0917 0.7949 0.044 Uiso calc R 1 1 . .
C C21 0.69000(17) 0.15770(14) 0.81585(17) 0.0303(4) Uani d . 1 1 . .
H H21 0.6999 0.2019 0.7741 0.036 Uiso calc R 1 1 . .
C C22 0.20411(15) 0.15092(11) 0.86575(13) 0.0170(3) Uani d . 1 1 . .
C C23 0.20697(15) 0.23057(11) 0.91021(14) 0.0186(3) Uani d . 1 1 . .
C C24 0.13811(15) 0.25138(11) 0.97130(14) 0.0198(4) Uani d . 1 1 . .
H H24 0.1428 0.3039 1.0007 0.024 Uiso calc R 1 1 . .
C C25 0.05980(16) 0.19419(11) 0.99044(14) 0.0204(4) Uani d . 1 1 . .
C C26 0.05257(16) 0.11815(11) 0.94786(14) 0.0202(4) Uani d . 1 1 . .
H H26 -0.0005 0.0802 0.9607 0.024 Uiso calc R 1 1 . .
C C27 0.12282(15) 0.09688(10) 0.88604(14) 0.0180(3) Uani d . 1 1 . .
C C28 -0.01506(17) 0.21211(12) 1.05483(16) 0.0246(4) Uani d . 1 1 . .
H H28 -0.0694 0.1721 1.0597 0.030 Uiso calc R 1 1 . .
C C29 0.28924(18) 0.36164(11) 0.91567(16) 0.0258(4) Uani d . 1 1 . .
H H29A 0.3482 0.3900 0.8920 0.039 Uiso calc R 1 1 . .
H H29B 0.3083 0.3645 0.9917 0.039 Uiso calc R 1 1 . .
H H29C 0.2143 0.3871 0.8851 0.039 Uiso calc R 1 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
O1 Sn1 C15 . . 99.54(6) ?
O1 Sn1 C1 . . 86.91(6) ?
C15 Sn1 C1 . . 113.15(7) ?
O1 Sn1 C8 . . 101.64(6) ?
C15 Sn1 C8 . . 127.85(8) ?
C1 Sn1 C8 . . 115.07(8) ?
O1 Sn1 O3 . 4_665 166.47(5) ?
C15 Sn1 O3 . 4_665 85.05(6) ?
C1 Sn1 O3 . 4_665 79.60(6) ?
C8 Sn1 O3 . 4_665 85.12(6) ?
C22 O1 Sn1 . . 137.63(11) ?
C23 O2 C29 . . 117.37(14) ?
C28 O3 Sn1 . 4_566 128.23(13) ?
O5 N1 O4 . . 121.74(16) ?
O5 N1 C27 . . 120.47(15) ?
O4 N1 C27 . . 117.77(15) ?
C2 C1 Sn1 . . 111.26(12) ?
C2 C1 H1A . . 109.4 ?
Sn1 C1 H1A . . 109.4 ?
C2 C1 H1B . . 109.4 ?
Sn1 C1 H1B . . 109.4 ?
H1A C1 H1B . . 108.0 ?
C3 C2 C7 . . 117.52(18) ?
C3 C2 C1 . . 121.91(17) ?
C7 C2 C1 . . 120.52(17) ?
C4 C3 C2 . . 120.7(2) ?
C4 C3 H3 . . 119.6 ?
C2 C3 H3 . . 119.6 ?
C5 C4 C3 . . 120.8(2) ?
C5 C4 H4 . . 119.6 ?
C3 C4 H4 . . 119.6 ?
C6 C5 C4 . . 119.2(2) ?
C6 C5 H5 . . 120.4 ?
C4 C5 H5 . . 120.4 ?
C5 C6 C7 . . 120.4(2) ?
C5 C6 H6 . . 119.8 ?
C7 C6 H6 . . 119.8 ?
C6 C7 C2 . . 121.38(19) ?
C6 C7 H7 . . 119.3 ?
C2 C7 H7 . . 119.3 ?
C9 C8 Sn1 . . 117.52(13) ?
C9 C8 H8A . . 107.9 ?
Sn1 C8 H8A . . 107.9 ?
C9 C8 H8B . . 107.9 ?
Sn1 C8 H8B . . 107.9 ?
H8A C8 H8B . . 107.2 ?
C10 C9 C14 . . 118.00(18) ?
C10 C9 C8 . . 121.76(18) ?
C14 C9 C8 . . 120.25(18) ?
C11 C10 C9 . . 121.16(19) ?
C11 C10 H10 . . 119.4 ?
C9 C10 H10 . . 119.4 ?
C12 C11 C10 . . 120.2(2) ?
C12 C11 H11 . . 119.9 ?
C10 C11 H11 . . 119.9 ?
C13 C12 C11 . . 119.5(2) ?
C13 C12 H12 . . 120.2 ?
C11 C12 H12 . . 120.2 ?
C12 C13 C14 . . 120.5(2) ?
C12 C13 H13 . . 119.8 ?
C14 C13 H13 . . 119.8 ?
C13 C14 C9 . . 120.71(19) ?
C13 C14 H14 . . 119.6 ?
C9 C14 H14 . . 119.6 ?
C16 C15 Sn1 . . 107.19(12) ?
C16 C15 H15A . . 110.3 ?
Sn1 C15 H15A . . 110.3 ?
C16 C15 H15B . . 110.3 ?
Sn1 C15 H15B . . 110.3 ?
H15A C15 H15B . . 108.5 ?
C17 C16 C21 . . 117.91(19) ?
C17 C16 C15 . . 120.65(17) ?
C21 C16 C15 . . 121.36(18) ?
C16 C17 C18 . . 121.16(19) ?
C16 C17 H17 . . 119.4 ?
C18 C17 H17 . . 119.4 ?
C19 C18 C17 . . 120.1(2) ?
C19 C18 H18 . . 120.0 ?
C17 C18 H18 . . 120.0 ?
C20 C19 C18 . . 119.4(2) ?
C20 C19 H19 . . 120.3 ?
C18 C19 H19 . . 120.3 ?
C19 C20 C21 . . 120.8(2) ?
C19 C20 H20 . . 119.6 ?
C21 C20 H20 . . 119.6 ?
C20 C21 C16 . . 120.6(2) ?
C20 C21 H21 . . 119.7 ?
C16 C21 H21 . . 119.7 ?
O1 C22 C27 . . 123.00(16) ?
O1 C22 C23 . . 121.05(16) ?
C27 C22 C23 . . 115.93(15) ?
O2 C23 C24 . . 126.31(17) ?
O2 C23 C22 . . 111.73(15) ?
C24 C23 C22 . . 121.95(16) ?
C23 C24 C25 . . 119.54(17) ?
C23 C24 H24 . . 120.2 ?
C25 C24 H24 . . 120.2 ?
C26 C25 C24 . . 120.43(17) ?
C26 C25 C28 . . 117.20(17) ?
C24 C25 C28 . . 122.37(17) ?
C25 C26 C27 . . 120.06(17) ?
C25 C26 H26 . . 120.0 ?
C27 C26 H26 . . 120.0 ?
C26 C27 C22 . . 122.06(16) ?
C26 C27 N1 . . 116.78(16) ?
C22 C27 N1 . . 121.16(15) ?
O3 C28 C25 . . 125.14(18) ?
O3 C28 H28 . . 117.4 ?
C25 C28 H28 . . 117.4 ?
O2 C29 H29A . . 109.5 ?
O2 C29 H29B . . 109.5 ?
H29A C29 H29B . . 109.5 ?
O2 C29 H29C . . 109.5 ?
H29A C29 H29C . . 109.5 ?
H29B C29 H29C . . 109.5 ?
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 O1 . 2.1227(12) ?
Sn1 C15 . 2.1526(19) ?
Sn1 C1 . 2.1576(18) ?
Sn1 C8 . 2.1619(19) ?
Sn1 O3 4_665 2.4936(13) ?
O1 C22 . 1.287(2) ?
O2 C23 . 1.357(2) ?
O2 C29 . 1.433(2) ?
O3 C28 . 1.225(2) ?
O3 Sn1 4_566 2.4936(13) ?
O4 N1 . 1.233(2) ?
O5 N1 . 1.223(2) ?
N1 C27 . 1.451(2) ?
C1 C2 . 1.493(3) ?
C1 H1A . 0.9900 ?
C1 H1B . 0.9900 ?
C2 C3 . 1.391(3) ?
C2 C7 . 1.402(3) ?
C3 C4 . 1.386(3) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.382(4) ?
C4 H4 . 0.9500 ?
C5 C6 . 1.375(3) ?
C5 H5 . 0.9500 ?
C6 C7 . 1.380(3) ?
C6 H6 . 0.9500 ?
C7 H7 . 0.9500 ?
C8 C9 . 1.501(3) ?
C8 H8A . 0.9900 ?
C8 H8B . 0.9900 ?
C9 C10 . 1.394(3) ?
C9 C14 . 1.395(3) ?
C10 C11 . 1.387(3) ?
C10 H10 . 0.9500 ?
C11 C12 . 1.383(3) ?
C11 H11 . 0.9500 ?
C12 C13 . 1.380(3) ?
C12 H12 . 0.9500 ?
C13 C14 . 1.392(3) ?
C13 H13 . 0.9500 ?
C14 H14 . 0.9500 ?
C15 C16 . 1.500(3) ?
C15 H15A . 0.9900 ?
C15 H15B . 0.9900 ?
C16 C17 . 1.392(3) ?
C16 C21 . 1.395(3) ?
C17 C18 . 1.387(3) ?
C17 H17 . 0.9500 ?
C18 C19 . 1.382(3) ?
C18 H18 . 0.9500 ?
C19 C20 . 1.375(3) ?
C19 H19 . 0.9500 ?
C20 C21 . 1.385(3) ?
C20 H20 . 0.9500 ?
C21 H21 . 0.9500 ?
C22 C27 . 1.414(2) ?
C22 C23 . 1.445(3) ?
C23 C24 . 1.367(2) ?
C24 C25 . 1.416(2) ?
C24 H24 . 0.9500 ?
C25 C26 . 1.377(3) ?
C25 C28 . 1.448(3) ?
C26 C27 . 1.390(2) ?
C26 H26 . 0.9500 ?
C28 H28 . 0.9500 ?
C29 H29A . 0.9800 ?
C29 H29B . 0.9800 ?
C29 H29C . 0.9800 ?
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
C15 Sn1 O1 C22 . . . . 83.51(18) ?
C1 Sn1 O1 C22 . . . . -163.52(18) ?
C8 Sn1 O1 C22 . . . . -48.54(18) ?
O3 Sn1 O1 C22 4_665 . . . -167.57(18) ?
O1 Sn1 C1 C2 . . . . 105.81(13) ?
C15 Sn1 C1 C2 . . . . -155.13(12) ?
C8 Sn1 C1 C2 . . . . 4.40(15) ?
O3 Sn1 C1 C2 4_665 . . . -75.15(13) ?
Sn1 C1 C2 C3 . . . . 101.24(19) ?
Sn1 C1 C2 C7 . . . . -76.10(19) ?
C7 C2 C3 C4 . . . . 0.7(3) ?
C1 C2 C3 C4 . . . . -176.7(2) ?
C2 C3 C4 C5 . . . . -0.3(4) ?
C3 C4 C5 C6 . . . . -0.1(4) ?
C4 C5 C6 C7 . . . . 0.2(4) ?
C5 C6 C7 C2 . . . . 0.2(3) ?
C3 C2 C7 C6 . . . . -0.6(3) ?
C1 C2 C7 C6 . . . . 176.85(17) ?
O1 Sn1 C8 C9 . . . . 13.55(16) ?
C15 Sn1 C8 C9 . . . . -98.44(16) ?
C1 Sn1 C8 C9 . . . . 105.59(16) ?
O3 Sn1 C8 C9 4_665 . . . -178.30(16) ?
Sn1 C8 C9 C10 . . . . -67.3(2) ?
Sn1 C8 C9 C14 . . . . 113.34(18) ?
C14 C9 C10 C11 . . . . -0.9(3) ?
C8 C9 C10 C11 . . . . 179.72(19) ?
C9 C10 C11 C12 . . . . 0.6(3) ?
C10 C11 C12 C13 . . . . -0.2(3) ?
C11 C12 C13 C14 . . . . 0.0(3) ?
C12 C13 C14 C9 . . . . -0.3(3) ?
C10 C9 C14 C13 . . . . 0.7(3) ?
C8 C9 C14 C13 . . . . -179.89(19) ?
O1 Sn1 C15 C16 . . . . 88.15(13) ?
C1 Sn1 C15 C16 . . . . -2.56(15) ?
C8 Sn1 C15 C16 . . . . -158.91(12) ?
O3 Sn1 C15 C16 4_665 . . . -79.02(13) ?
Sn1 C15 C16 C17 . . . . -81.43(19) ?
Sn1 C15 C16 C21 . . . . 95.27(19) ?
C21 C16 C17 C18 . . . . -0.3(3) ?
C15 C16 C17 C18 . . . . 176.55(18) ?
C16 C17 C18 C19 . . . . -0.5(3) ?
C17 C18 C19 C20 . . . . 0.6(3) ?
C18 C19 C20 C21 . . . . 0.0(3) ?
C19 C20 C21 C16 . . . . -0.8(3) ?
C17 C16 C21 C20 . . . . 0.9(3) ?
C15 C16 C21 C20 . . . . -175.92(19) ?
Sn1 O1 C22 C27 . . . . 155.51(14) ?
Sn1 O1 C22 C23 . . . . -26.3(3) ?
C29 O2 C23 C24 . . . . -5.3(3) ?
C29 O2 C23 C22 . . . . 174.93(15) ?
O1 C22 C23 O2 . . . . 3.8(2) ?
C27 C22 C23 O2 . . . . -177.92(15) ?
O1 C22 C23 C24 . . . . -176.01(16) ?
C27 C22 C23 C24 . . . . 2.3(3) ?
O2 C23 C24 C25 . . . . 178.99(17) ?
C22 C23 C24 C25 . . . . -1.2(3) ?
C23 C24 C25 C26 . . . . -0.1(3) ?
C23 C24 C25 C28 . . . . 179.63(18) ?
C24 C25 C26 C27 . . . . 0.3(3) ?
C28 C25 C26 C27 . . . . -179.43(17) ?
C25 C26 C27 C22 . . . . 0.8(3) ?
C25 C26 C27 N1 . . . . -178.67(16) ?
O1 C22 C27 C26 . . . . 176.18(17) ?
C23 C22 C27 C26 . . . . -2.1(3) ?
O1 C22 C27 N1 . . . . -4.3(3) ?
C23 C22 C27 N1 . . . . 177.42(15) ?
O5 N1 C27 C26 . . . . 167.06(18) ?
O4 N1 C27 C26 . . . . -11.5(2) ?
O5 N1 C27 C22 . . . . -12.4(3) ?
O4 N1 C27 C22 . . . . 169.03(17) ?
Sn1 O3 C28 C25 4_566 . . . -177.02(14) ?
C26 C25 C28 O3 . . . . 175.07(19) ?
C24 C25 C28 O3 . . . . -4.7(3) ?
