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#$Date: 2022-11-17 12:29:41 +0200 (Thu, 17 Nov 2022) $
#$Revision: 279364 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/61/8106144.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_8106144
loop_
_publ_author_name
'Tan, Yee Seng'
'Lee, See Mun'
'Tiekink, Edward R.T.'
_publ_section_title
;
 Crystal structure of
 (N-(3-ethoxy-2-oxidobenzylidene)-4-fluorobenzohydrazonato-κ3
 N,O,O′)-diphenyltin(IV), C28H23FN2O3Sn
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              331
_journal_page_last               333
_journal_paper_doi               10.1515/ncrs-2017-0416
_journal_volume                  233
_journal_year                    2018
_chemical_formula_moiety         'C28 H23 F N2 O3 Sn'
_chemical_formula_sum            'C28 H23 F N2 O3 Sn'
_chemical_formula_weight         573.17
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.0887(2)
_cell_length_b                   14.5333(2)
_cell_length_c                   20.5550(2)
_cell_measurement_reflns_used    13911
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.1110
_cell_measurement_theta_min      4.3000
_cell_volume                     4806.21(10)
_computing_cell_refinement       'CrysAlisPro [1]'
_computing_data_collection       'CrysAlisPro [1]'
_computing_data_reduction        'CrysAlisPro [1]'
_computing_molecular_graphics    'ORTEP-3 for Windows [4]'
_computing_publication_material  'SHELXL2014/7 [3]'
_computing_structure_refinement  'SHELXL2014/7 [3]'
_computing_structure_solution    'SHELXS-97 [2]'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 5.2558
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0232
_diffrn_reflns_av_unetI/netI     0.0143
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            27905
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.066
_diffrn_reflns_theta_max         67.066
_diffrn_reflns_theta_min         4.302
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    8.803
_exptl_absorpt_correction_T_max  0.833
_exptl_absorpt_correction_T_min  0.493
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'CrysAlisPro [1]'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_description       prism
_exptl_crystal_F_000             2304
_exptl_crystal_size_max          0.158
_exptl_crystal_size_mid          0.112
_exptl_crystal_size_min          0.090
_refine_diff_density_max         0.270
_refine_diff_density_min         -0.670
_refine_diff_density_rms         0.058
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4285
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0224
_refine_ls_R_factor_gt           0.0199
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0371P)²+1.7826P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0574
_refine_ls_wR_factor_ref         0.0596
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3927
_reflns_number_total             4285
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2017-0416_suppl.cif
_cod_data_source_block           shelx
_cod_database_code               8106144
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.337
_shelx_estimated_absorpt_t_max   0.505
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn Sn 0.00136(2) 0.78741(2) 0.61417(2) 0.01468(6) Uani 1 1 d . . . . .
F1 F -0.10797(8) 1.05010(8) 0.96567(5) 0.0346(3) Uani 1 1 d . . . . .
O1 O -0.00429(6) 0.84531(9) 0.70902(6) 0.0185(3) Uani 1 1 d . . . . .
O2 O -0.00896(7) 0.78848(8) 0.51432(7) 0.0202(3) Uani 1 1 d . . . . .
O3 O 0.05764(8) 0.78553(8) 0.39876(6) 0.0218(3) Uani 1 1 d . . . . .
N1 N -0.10555(8) 0.94312(10) 0.66778(6) 0.0181(3) Uani 1 1 d . . . . .
N2 N -0.08170(8) 0.90464(10) 0.60825(6) 0.0169(3) Uani 1 1 d . . . . .
C1 C -0.06118(9) 0.90886(11) 0.71554(8) 0.0164(3) Uani 1 1 d . . . . .
C2 C -0.07494(10) 0.94642(11) 0.78169(8) 0.0174(3) Uani 1 1 d . . . . .
C3 C -0.02471(11) 0.91687(12) 0.83284(9) 0.0209(4) Uani 1 1 d . . . . .
H3 H 0.0176 0.8726 0.8249 0.025 Uiso 1 1 calc R U . . .
C4 C -0.03562(12) 0.95119(13) 0.89522(8) 0.0238(4) Uani 1 1 d . . . . .
H4 H -0.0014 0.9312 0.9302 0.029 Uiso 1 1 calc R U . . .
C5 C -0.09747(11) 1.01510(13) 0.90490(8) 0.0239(4) Uani 1 1 d . . . . .
C6 C -0.14895(11) 1.04607(12) 0.85589(8) 0.0230(4) Uani 1 1 d . . . . .
H6 H -0.1914 1.0899 0.8645 0.028 Uiso 1 1 calc R U . . .
C7 C -0.13710(10) 1.01152(12) 0.79378(8) 0.0195(3) Uani 1 1 d . . . . .
H7 H -0.1714 1.0322 0.7591 0.023 Uiso 1 1 calc R U . . .
C8 C -0.11039(10) 0.94581(12) 0.55679(8) 0.0176(3) Uani 1 1 d . . . . .
H8 H -0.1492 0.9941 0.5636 0.021 Uiso 1 1 calc R U . . .
C9 C -0.08882(10) 0.92496(12) 0.49055(8) 0.0176(3) Uani 1 1 d . . . . .
C10 C -0.03344(10) 0.85347(11) 0.47364(8) 0.0170(3) Uani 1 1 d . . . . .
C11 C -0.00255(9) 0.85051(13) 0.40892(10) 0.0185(4) Uani 1 1 d . . . . .
C12 C -0.03379(11) 0.90918(12) 0.36209(8) 0.0214(4) Uani 1 1 d . . . . .
H12 H -0.0149 0.9044 0.3184 0.026 Uiso 1 1 calc R U . . .
C13 C -0.09317(11) 0.97568(13) 0.37852(8) 0.0222(4) Uani 1 1 d . . . . .
H13 H -0.1156 1.0145 0.3457 0.027 Uiso 1 1 calc R U . . .
C14 C -0.11914(10) 0.98492(12) 0.44175(8) 0.0207(4) Uani 1 1 d . . . . .
H14 H -0.1577 1.0319 0.4529 0.025 Uiso 1 1 calc R U . . .
C15 C 0.10990(12) 0.79717(12) 0.34254(8) 0.0240(4) Uani 1 1 d . . . . .
H15A H 0.1270 0.8623 0.3381 0.029 Uiso 1 1 calc R U . . .
H15B H 0.0798 0.7787 0.3026 0.029 Uiso 1 1 calc R U . . .
C16 C 0.18475(12) 0.73677(15) 0.35270(10) 0.0294(4) Uani 1 1 d . . . . .
H16A H 0.2222 0.7426 0.3154 0.044 Uiso 1 1 calc R U . . .
H16B H 0.2139 0.7558 0.3924 0.044 Uiso 1 1 calc R U . . .
H16C H 0.1669 0.6726 0.3570 0.044 Uiso 1 1 calc R U . . .
C17 C 0.13310(11) 0.78392(11) 0.61258(8) 0.0176(4) Uani 1 1 d . . . . .
C18 C 0.17405(11) 0.76355(12) 0.55452(9) 0.0215(4) Uani 1 1 d . . . . .
H18 H 0.1432 0.7536 0.5157 0.026 Uiso 1 1 calc R U . . .
C19 C 0.26051(11) 0.75790(13) 0.55378(9) 0.0274(4) Uani 1 1 d . . . . .
H19 H 0.2886 0.7443 0.5143 0.033 Uiso 1 1 calc R U . . .
C20 C 0.30580(12) 0.77200(14) 0.61030(10) 0.0292(5) Uani 1 1 d . . . . .
H20 H 0.3647 0.7680 0.6095 0.035 Uiso 1 1 calc R U . . .
C21 C 0.26516(11) 0.79186(12) 0.66787(10) 0.0266(4) Uani 1 1 d . . . . .
H21 H 0.2963 0.8016 0.7065 0.032 Uiso 1 1 calc R U . . .
C22 C 0.17882(11) 0.79759(12) 0.66933(9) 0.0210(4) Uani 1 1 d . . . . .
H22 H 0.1511 0.8108 0.7090 0.025 Uiso 1 1 calc R U . . .
C23 C -0.07937(10) 0.67531(12) 0.63303(8) 0.0177(3) Uani 1 1 d . . . . .
C24 C -0.11279(10) 0.62365(12) 0.58194(9) 0.0219(4) Uani 1 1 d . . . . .
H24 H -0.0967 0.6362 0.5384 0.026 Uiso 1 1 calc R U . . .
C25 C -0.16950(11) 0.55411(13) 0.59494(10) 0.0268(4) Uani 1 1 d . . . . .
H25 H -0.1921 0.5192 0.5601 0.032 Uiso 1 1 calc R U . . .
C26 C -0.19344(11) 0.53516(13) 0.65825(9) 0.0263(4) Uani 1 1 d . . . . .
H26 H -0.2325 0.4876 0.6668 0.032 Uiso 1 1 calc R U . . .
C27 C -0.16021(11) 0.58571(13) 0.70910(9) 0.0253(4) Uani 1 1 d . . . . .
H27 H -0.1762 0.5725 0.7526 0.030 Uiso 1 1 calc R U . . .
C28 C -0.10349(10) 0.65581(12) 0.69661(8) 0.0217(4) Uani 1 1 d . . . . .
H28 H -0.0811 0.6905 0.7316 0.026 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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
O2 Sn C17 93.75(5) . .
O2 Sn C23 97.97(6) . .
C17 Sn C23 126.65(6) . .
O2 Sn O1 155.21(5) . .
C17 Sn O1 93.80(5) . .
C23 Sn O1 96.34(6) . .
O2 Sn N2 83.60(5) . .
C17 Sn N2 129.34(6) . .
C23 Sn N2 103.69(6) . .
O1 Sn N2 73.39(5) . .
C1 O1 Sn 113.81(10) . .
C10 O2 Sn 131.31(11) . .
C11 O3 C15 117.06(14) . .
C1 N1 N2 110.70(13) . .
C8 N2 N1 115.49(14) . .
C8 N2 Sn 128.75(11) . .
N1 N2 Sn 115.72(10) . .
O1 C1 N1 124.92(15) . .
O1 C1 C2 117.32(14) . .
N1 C1 C2 117.74(14) . .
C3 C2 C7 119.27(15) . .
C3 C2 C1 119.47(15) . .
C7 C2 C1 121.26(15) . .
C4 C3 C2 120.87(17) . .
C4 C3 H3 119.6 . .
C2 C3 H3 119.6 . .
C5 C4 C3 117.90(16) . .
C5 C4 H4 121.0 . .
C3 C4 H4 121.0 . .
F1 C5 C6 118.32(16) . .
F1 C5 C4 118.39(16) . .
C6 C5 C4 123.29(16) . .
C5 C6 C7 118.18(16) . .
C5 C6 H6 120.9 . .
C7 C6 H6 120.9 . .
C6 C7 C2 120.48(16) . .
C6 C7 H7 119.8 . .
C2 C7 H7 119.8 . .
N2 C8 C9 126.02(15) . .
N2 C8 H8 117.0 . .
C9 C8 H8 117.0 . .
C10 C9 C14 119.74(15) . .
C10 C9 C8 122.72(15) . .
C14 C9 C8 117.28(15) . .
O2 C10 C9 123.93(15) . .
O2 C10 C11 117.81(15) . .
C9 C10 C11 118.25(15) . .
O3 C11 C12 125.26(17) . .
O3 C11 C10 114.29(16) . .
C12 C11 C10 120.45(16) . .
C11 C12 C13 120.43(16) . .
C11 C12 H12 119.8 . .
C13 C12 H12 119.8 . .
C14 C13 C12 120.25(16) . .
C14 C13 H13 119.9 . .
C12 C13 H13 119.9 . .
C13 C14 C9 120.41(16) . .
C13 C14 H14 119.8 . .
C9 C14 H14 119.8 . .
O3 C15 C16 106.71(15) . .
O3 C15 H15A 110.4 . .
C16 C15 H15A 110.4 . .
O3 C15 H15B 110.4 . .
C16 C15 H15B 110.4 . .
H15A C15 H15B 108.6 . .
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 . .
C22 C17 C18 119.82(17) . .
C22 C17 Sn 120.76(12) . .
C18 C17 Sn 119.36(13) . .
C19 C18 C17 119.55(17) . .
C19 C18 H18 120.2 . .
C17 C18 H18 120.2 . .
C20 C19 C18 120.44(17) . .
C20 C19 H19 119.8 . .
C18 C19 H19 119.8 . .
C21 C20 C19 119.97(18) . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C20 C21 C22 120.19(18) . .
C20 C21 H21 119.9 . .
C22 C21 H21 119.9 . .
C21 C22 C17 120.02(17) . .
C21 C22 H22 120.0 . .
C17 C22 H22 120.0 . .
C24 C23 C28 119.23(16) . .
C24 C23 Sn 120.73(12) . .
C28 C23 Sn 119.93(13) . .
C25 C24 C23 119.95(16) . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C26 C25 C24 120.58(18) . .
C26 C25 H25 119.7 . .
C24 C25 H25 119.7 . .
C25 C26 C27 119.75(17) . .
C25 C26 H26 120.1 . .
C27 C26 H26 120.1 . .
C26 C27 C28 120.16(17) . .
C26 C27 H27 119.9 . .
C28 C27 H27 119.9 . .
C27 C28 C23 120.32(16) . .
C27 C28 H28 119.8 . .
C23 C28 H28 119.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn O2 2.0591(14) .
Sn C17 2.1204(18) .
Sn C23 2.1194(17) .
Sn O1 2.1254(13) .
Sn N2 2.1687(14) .
F1 C5 1.3592(19) .
O1 C1 1.307(2) .
O2 C10 1.321(2) .
O3 C11 1.369(2) .
O3 C15 1.439(2) .
N1 C1 1.312(2) .
N1 N2 1.3990(19) .
N2 C8 1.300(2) .
C1 C2 1.482(2) .
C2 C3 1.394(2) .
C2 C7 1.399(2) .
C3 C4 1.387(2) .
C3 H3 0.9500 .
C4 C5 1.376(3) .
C4 H4 0.9500 .
C5 C6 1.380(3) .
C6 C7 1.385(2) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 C9 1.437(2) .
C8 H8 0.9500 .
C9 C10 1.412(2) .
C9 C14 1.415(2) .
C10 C11 1.421(2) .
C11 C12 1.381(3) .
C12 C13 1.400(3) .
C12 H12 0.9500 .
C13 C14 1.372(2) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 C16 1.505(3) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C22 1.393(2) .
C17 C18 1.395(2) .
C18 C19 1.394(2) .
C18 H18 0.9500 .
C19 C20 1.387(3) .
C19 H19 0.9500 .
C20 C21 1.382(3) .
C20 H20 0.9500 .
C21 C22 1.392(2) .
C21 H21 0.9500 .
C22 H22 0.9500 .
C23 C24 1.398(2) .
C23 C28 1.393(2) .
C24 C25 1.387(3) .
C24 H24 0.9500 .
C25 C26 1.385(3) .
C25 H25 0.9500 .
C26 C27 1.385(3) .
C26 H26 0.9500 .
C27 C28 1.392(2) .
C27 H27 0.9500 .
C28 H28 0.9500 .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C1 N1 N2 C8 -167.58(14) . . . .
C1 N1 N2 Sn 10.43(16) . . . .
Sn O1 C1 N1 -7.4(2) . . . .
Sn O1 C1 C2 174.18(10) . . . .
N2 N1 C1 O1 -2.1(2) . . . .
N2 N1 C1 C2 176.36(13) . . . .
O1 C1 C2 C3 3.4(2) . . . .
N1 C1 C2 C3 -175.16(15) . . . .
O1 C1 C2 C7 -177.03(15) . . . .
N1 C1 C2 C7 4.4(2) . . . .
C7 C2 C3 C4 0.0(3) . . . .
C1 C2 C3 C4 179.54(16) . . . .
C2 C3 C4 C5 0.0(3) . . . .
C3 C4 C5 F1 -179.14(16) . . . .
C3 C4 C5 C6 0.3(3) . . . .
F1 C5 C6 C7 178.85(15) . . . .
C4 C5 C6 C7 -0.6(3) . . . .
C5 C6 C7 C2 0.5(3) . . . .
C3 C2 C7 C6 -0.3(2) . . . .
C1 C2 C7 C6 -179.83(15) . . . .
N1 N2 C8 C9 173.86(14) . . . .
Sn N2 C8 C9 -3.8(2) . . . .
N2 C8 C9 C10 1.5(3) . . . .
N2 C8 C9 C14 -172.57(16) . . . .
Sn O2 C10 C9 -26.6(2) . . . .
Sn O2 C10 C11 153.94(12) . . . .
C14 C9 C10 O2 -172.48(15) . . . .
C8 C9 C10 O2 13.6(2) . . . .
C14 C9 C10 C11 7.0(2) . . . .
C8 C9 C10 C11 -166.94(15) . . . .
C15 O3 C11 C12 20.2(2) . . . .
C15 O3 C11 C10 -160.58(14) . . . .
O2 C10 C11 O3 -7.5(2) . . . .
C9 C10 C11 O3 173.02(14) . . . .
O2 C10 C11 C12 171.74(15) . . . .
C9 C10 C11 C12 -7.7(2) . . . .
O3 C11 C12 C13 -177.47(16) . . . .
C10 C11 C12 C13 3.4(3) . . . .
C11 C12 C13 C14 1.9(3) . . . .
C12 C13 C14 C9 -2.6(3) . . . .
C10 C9 C14 C13 -1.9(2) . . . .
C8 C9 C14 C13 172.32(15) . . . .
C11 O3 C15 C16 163.25(15) . . . .
C22 C17 C18 C19 -0.6(3) . . . .
Sn C17 C18 C19 -177.69(13) . . . .
C17 C18 C19 C20 0.3(3) . . . .
C18 C19 C20 C21 0.0(3) . . . .
C19 C20 C21 C22 0.1(3) . . . .
C20 C21 C22 C17 -0.4(3) . . . .
C18 C17 C22 C21 0.7(3) . . . .
Sn C17 C22 C21 177.74(13) . . . .
C28 C23 C24 C25 0.2(2) . . . .
Sn C23 C24 C25 -176.05(13) . . . .
C23 C24 C25 C26 0.0(3) . . . .
C24 C25 C26 C27 -0.3(3) . . . .
C25 C26 C27 C28 0.5(3) . . . .
C26 C27 C28 C23 -0.4(3) . . . .
C24 C23 C28 C27 0.0(2) . . . .
Sn C23 C28 C27 176.28(13) . . . .
