#------------------------------------------------------------------------------
#$Date: 2021-02-24 08:15:38 +0200 (Wed, 24 Feb 2021) $
#$Revision: 262186 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/37/2243758.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_2243758
loop_
_publ_author_name
'Yusof, Enis Nadia Md'
'Kwong, Huey Chong'
'Karunakaran, Thiruventhan'
'Ravoof, Thahira B. S. A.'
'Tiekink, Edward R. T.'
_publ_section_title
;
 Di-n-butyl[N'-(3-methoxy-2-oxidobenzylidene)-N-phenylcarbamohydrazonothioato]tin(IV):
 crystal structure, Hirshfeld surface analysis and computational study
;
_journal_coeditor_code           HB7969
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              286
_journal_page_last               293
_journal_paper_doi               10.1107/S2056989021001870
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac          '[Sn (C4 H9)2 (C15 H13 N3 O2 S)]'
_chemical_formula_moiety         'C23 H31 N3 O2 S Sn'
_chemical_formula_sum            'C23 H31 N3 O2 S Sn'
_chemical_formula_weight         532.26
_chemical_name_systematic
Di-n-butyl[N'-(3-methoxy-2-oxidobenzylidene)-N-phenylcarbamohydrazonothioato]tin(IV)
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 111.180(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.2720(3)
_cell_length_b                   16.1954(3)
_cell_length_c                   14.2778(3)
_cell_measurement_reflns_used    9470
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.9020
_cell_measurement_theta_min      3.7940
_cell_volume                     2430.41(11)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012), DIAMOND (Brandenburg,
2006)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2018/3 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1952
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.895
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'Rigaku Oxford Diffraction Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0508
_diffrn_reflns_av_unetI/netI     0.0438
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            26999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.335
_diffrn_reflns_theta_min         3.818
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.160
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84956
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2015)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.455
_exptl_crystal_description       prism
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.060
_refine_diff_density_max         1.625
_refine_diff_density_min         -0.518
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         5967
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0297P)²+1.1545P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0694
_refine_ls_wR_factor_ref         0.0763
_reflns_number_gt                4699
_reflns_number_total             5967
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            hb7969sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        2430.41(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2243758
_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   0.845
_shelx_estimated_absorpt_t_max   0.934
loop_
_space_group_symop_operation_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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn Sn 0.30782(2) 0.63922(2) 0.20843(2) 0.02658(7) Uani d 1 . .
S S1 0.17922(7) 0.76839(5) 0.21316(5) 0.03737(18) Uani d 1 . .
O O1 0.41536(16) 0.53123(10) 0.26242(13) 0.0299(4) Uani d 1 . .
O O2 0.55992(16) 0.40842(10) 0.25269(13) 0.0279(4) Uani d 1 . .
N N1 0.3367(2) 0.74015(12) 0.40760(15) 0.0271(5) Uani d 1 . .
N N2 0.38235(19) 0.67314(12) 0.36939(15) 0.0245(5) Uani d 1 . .
N N3 0.1999(2) 0.85096(13) 0.37649(16) 0.0278(5) Uani d 1 . .
H H3N 0.142(2) 0.8768(15) 0.3282(15) 0.033 Uiso d 1 . .
C C1 0.2476(2) 0.78406(15) 0.34279(18) 0.0267(6) Uani d 1 . .
C C2 0.4807(2) 0.63876(15) 0.43827(19) 0.0266(5) Uani d 1 . .
H H2 0.507201 0.663195 0.503089 0.032 Uiso calc 1 . .
C C3 0.5533(2) 0.56903(15) 0.42817(18) 0.0253(5) Uani d 1 . .
C C4 0.5195(2) 0.51976(14) 0.34156(18) 0.0231(5) Uani d 1 . .
C C5 0.5993(2) 0.45193(15) 0.34154(18) 0.0240(5) Uani d 1 . .
C C6 0.7057(2) 0.43422(16) 0.4235(2) 0.0315(6) Uani d 1 . .
H H6 0.758465 0.388936 0.421749 0.038 Uiso calc 1 . .
C C7 0.7367(3) 0.48344(17) 0.5104(2) 0.0373(7) Uani d 1 . .
H H7 0.809490 0.470558 0.567769 0.045 Uiso calc 1 . .
C C8 0.6629(2) 0.54928(16) 0.51260(19) 0.0320(6) Uani d 1 . .
H H8 0.685130 0.582370 0.571384 0.038 Uiso calc 1 . .
C C9 0.6339(3) 0.33893(18) 0.2478(2) 0.0414(7) Uani d 1 . .
H H9A 0.720214 0.356915 0.256299 0.062 Uiso calc 1 . .
H H9B 0.595020 0.311870 0.182395 0.062 Uiso calc 1 . .
H H9C 0.637687 0.299962 0.301309 0.062 Uiso calc 1 . .
C C10 0.2229(2) 0.87931(15) 0.47493(19) 0.0246(5) Uani d 1 . .
C C11 0.3071(3) 0.84289(16) 0.5628(2) 0.0321(6) Uani d 1 . .
H H11 0.356486 0.796350 0.559100 0.039 Uiso calc 1 . .
C C12 0.3174(3) 0.87544(17) 0.6549(2) 0.0355(7) Uani d 1 . .
H H12 0.374328 0.850489 0.714380 0.043 Uiso calc 1 . .
C C13 0.2475(3) 0.94306(17) 0.6629(2) 0.0353(6) Uani d 1 . .
H H13 0.254424 0.963702 0.726972 0.042 Uiso calc 1 . .
C C14 0.1671(3) 0.98029(17) 0.5762(2) 0.0331(6) Uani d 1 . .
H H14 0.119945 1.027809 0.580593 0.040 Uiso calc 1 . .
C C15 0.1547(2) 0.94894(16) 0.4831(2) 0.0286(6) Uani d 1 . .
H H15 0.099062 0.975153 0.424064 0.034 Uiso calc 1 . .
C C16 0.1475(2) 0.56202(17) 0.13464(19) 0.0320(6) Uani d 1 . .
H H16A 0.073373 0.597705 0.099569 0.038 Uiso calc 1 . .
H H16B 0.165615 0.529157 0.082891 0.038 Uiso calc 1 . .
C C17 0.1111(3) 0.50319(18) 0.2027(2) 0.0368(7) Uani d 1 . .
H H17A 0.078865 0.535372 0.247468 0.044 Uiso calc 1 . .
H H17B 0.187726 0.472697 0.245367 0.044 Uiso calc 1 . .
C C18 0.0095(3) 0.44156(18) 0.1427(2) 0.0408(7) Uani d 1 . .
H H18A -0.067397 0.472273 0.101010 0.049 Uiso calc 1 . .
H H18B 0.041312 0.410471 0.096902 0.049 Uiso calc 1 . .
C C19 -0.0267(3) 0.3812(2) 0.2085(3) 0.0630(11) Uani d 1 . .
H H19A 0.046823 0.346452 0.244721 0.095 Uiso calc 1 . .
H H19B -0.096854 0.346334 0.166641 0.095 Uiso calc 1 . .
H H19C -0.053386 0.411610 0.256866 0.095 Uiso calc 1 . .
C C20 0.4355(3) 0.68370(17) 0.1396(2) 0.0348(6) Uani d 1 . .
H H20A 0.510109 0.708354 0.192719 0.042 Uiso calc 1 . .
H H20B 0.466511 0.635693 0.112094 0.042 Uiso calc 1 . .
C C21 0.3833(3) 0.74679(18) 0.0563(2) 0.0385(7) Uani d 1 . .
H H21A 0.345417 0.793150 0.081061 0.046 Uiso calc 1 . .
H H21B 0.314902 0.720923 -0.000729 0.046 Uiso calc 1 . .
C C22 0.4850(3) 0.7805(2) 0.0194(2) 0.0487(8) Uani d 1 . .
H H22A 0.555087 0.804035 0.077308 0.058 Uiso calc 1 . .
H H22B 0.520427 0.734251 -0.007521 0.058 Uiso calc 1 . .
C C23 0.4367(5) 0.8464(2) -0.0612(3) 0.0684(11) Uani d 1 . .
H H23A 0.360725 0.826100 -0.115308 0.103 Uiso calc 1 . .
H H23B 0.502935 0.859307 -0.088338 0.103 Uiso calc 1 . .
H H23C 0.415227 0.896385 -0.031958 0.103 Uiso calc 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'
S S 0.1246 0.1234 '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
S1 Sn O1 . . 157.56(5) y
S1 Sn N2 . . 77.04(5) y
S1 Sn C16 . . 96.03(8) y
S1 Sn C20 . . 102.61(8) y
O1 Sn N2 . . 82.75(7) y
O1 Sn C16 . . 88.11(8) y
O1 Sn C20 . . 93.08(9) y
N2 Sn C16 . . 126.42(9) y
N2 Sn C20 . . 109.11(10) y
C16 Sn C20 . . 124.08(11) y
C1 S1 Sn . . 96.29(8) ?
C4 O1 Sn . . 130.37(15) ?
C5 O2 C9 . . 116.9(2) ?
C1 N1 N2 . . 116.5(2) ?
C2 N2 N1 . . 111.6(2) ?
C2 N2 Sn . . 125.07(17) ?
N1 N2 Sn . . 123.00(14) ?
C1 N3 C10 . . 130.7(2) ?
C1 N3 H3N . . 112.2(19) ?
C10 N3 H3N . . 116.8(19) ?
N1 C1 N3 . . 118.8(2) ?
N1 C1 S1 . . 127.2(2) ?
N3 C1 S1 . . 114.06(17) ?
N2 C2 C3 . . 128.2(2) ?
N2 C2 H2 . . 115.9 ?
C3 C2 H2 . . 115.9 ?
C4 C3 C8 . . 119.8(2) ?
C4 C3 C2 . . 123.6(2) ?
C8 C3 C2 . . 116.5(2) ?
O1 C4 C3 . . 123.4(2) ?
O1 C4 C5 . . 118.6(2) ?
C3 C4 C5 . . 118.0(2) ?
C6 C5 O2 . . 124.8(2) ?
C6 C5 C4 . . 121.4(2) ?
O2 C5 C4 . . 113.7(2) ?
C5 C6 C7 . . 119.7(2) ?
C5 C6 H6 . . 120.1 ?
C7 C6 H6 . . 120.1 ?
C8 C7 C6 . . 120.4(2) ?
C8 C7 H7 . . 119.8 ?
C6 C7 H7 . . 119.8 ?
C7 C8 C3 . . 120.7(2) ?
C7 C8 H8 . . 119.7 ?
C3 C8 H8 . . 119.7 ?
O2 C9 H9A . . 109.5 ?
O2 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
O2 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C15 C10 C11 . . 118.8(2) ?
C15 C10 N3 . . 116.0(2) ?
C11 C10 N3 . . 125.2(2) ?
C12 C11 C10 . . 119.2(3) ?
C12 C11 H11 . . 120.4 ?
C10 C11 H11 . . 120.4 ?
C13 C12 C11 . . 121.9(3) ?
C13 C12 H12 . . 119.1 ?
C11 C12 H12 . . 119.1 ?
C12 C13 C14 . . 118.8(3) ?
C12 C13 H13 . . 120.6 ?
C14 C13 H13 . . 120.6 ?
C13 C14 C15 . . 120.5(3) ?
C13 C14 H14 . . 119.8 ?
C15 C14 H14 . . 119.8 ?
C14 C15 C10 . . 120.7(2) ?
C14 C15 H15 . . 119.6 ?
C10 C15 H15 . . 119.6 ?
C17 C16 Sn . . 115.28(17) ?
C17 C16 H16A . . 108.5 ?
Sn C16 H16A . . 108.5 ?
C17 C16 H16B . . 108.5 ?
Sn C16 H16B . . 108.5 ?
H16A C16 H16B . . 107.5 ?
C16 C17 C18 . . 111.8(2) ?
C16 C17 H17A . . 109.2 ?
C18 C17 H17A . . 109.2 ?
C16 C17 H17B . . 109.2 ?
C18 C17 H17B . . 109.2 ?
H17A C17 H17B . . 107.9 ?
C19 C18 C17 . . 113.0(3) ?
C19 C18 H18A . . 109.0 ?
C17 C18 H18A . . 109.0 ?
C19 C18 H18B . . 109.0 ?
C17 C18 H18B . . 109.0 ?
H18A C18 H18B . . 107.8 ?
C18 C19 H19A . . 109.5 ?
C18 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C18 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
C21 C20 Sn . . 116.88(19) ?
C21 C20 H20A . . 108.1 ?
Sn C20 H20A . . 108.1 ?
C21 C20 H20B . . 108.1 ?
Sn C20 H20B . . 108.1 ?
H20A C20 H20B . . 107.3 ?
C20 C21 C22 . . 112.7(3) ?
C20 C21 H21A . . 109.1 ?
C22 C21 H21A . . 109.1 ?
C20 C21 H21B . . 109.1 ?
C22 C21 H21B . . 109.1 ?
H21A C21 H21B . . 107.8 ?
C23 C22 C21 . . 113.9(3) ?
C23 C22 H22A . . 108.8 ?
C21 C22 H22A . . 108.8 ?
C23 C22 H22B . . 108.8 ?
C21 C22 H22B . . 108.8 ?
H22A C22 H22B . . 107.7 ?
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 ?
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 S1 . 2.5598(7) y
Sn O1 . 2.1089(16) y
Sn N2 . 2.212(2) y
Sn C16 . 2.136(3) y
Sn C20 . 2.140(3) y
S1 C1 . 1.747(3) y
O1 C4 . 1.316(3) ?
O2 C5 . 1.377(3) ?
O2 C9 . 1.417(3) ?
N1 C1 . 1.304(3) y
N1 N2 . 1.394(3) ?
N2 C2 . 1.311(3) y
N3 C1 . 1.371(3) ?
N3 C10 . 1.411(3) ?
N3 H3N . 0.866(10) ?
C2 C3 . 1.432(3) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.404(3) ?
C3 C8 . 1.416(3) ?
C4 C5 . 1.420(3) ?
C5 C6 . 1.370(3) ?
C6 C7 . 1.408(4) ?
C6 H6 . 0.9500 ?
C7 C8 . 1.359(4) ?
C7 H7 . 0.9500 ?
C8 H8 . 0.9500 ?
C9 H9A . 0.9800 ?
C9 H9B . 0.9800 ?
C9 H9C . 0.9800 ?
C10 C15 . 1.393(3) ?
C10 C11 . 1.400(4) ?
C11 C12 . 1.382(4) ?
C11 H11 . 0.9500 ?
C12 C13 . 1.378(4) ?
C12 H12 . 0.9500 ?
C13 C14 . 1.381(4) ?
C13 H13 . 0.9500 ?
C14 C15 . 1.382(4) ?
C14 H14 . 0.9500 ?
C15 H15 . 0.9500 ?
C16 C17 . 1.519(4) ?
C16 H16A . 0.9900 ?
C16 H16B . 0.9900 ?
C17 C18 . 1.528(4) ?
C17 H17A . 0.9900 ?
C17 H17B . 0.9900 ?
C18 C19 . 1.510(4) ?
C18 H18A . 0.9900 ?
C18 H18B . 0.9900 ?
C19 H19A . 0.9800 ?
C19 H19B . 0.9800 ?
C19 H19C . 0.9800 ?
C20 C21 . 1.516(4) ?
C20 H20A . 0.9900 ?
C20 H20B . 0.9900 ?
C21 C22 . 1.525(4) ?
C21 H21A . 0.9900 ?
C21 H21B . 0.9900 ?
C22 C23 . 1.519(5) ?
C22 H22A . 0.9900 ?
C22 H22B . 0.9900 ?
C23 H23A . 0.9800 ?
C23 H23B . 0.9800 ?
C23 H23C . 0.9800 ?
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
N3 H3N O2 2_555 0.87(2) 2.21(2) 2.990(3) 150(2)
C18 H18A Cg1 4_575 0.99 2.81 3.730(3) 154
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
C1 N1 N2 C2 . . . . 173.0(2) ?
C1 N1 N2 Sn . . . . -1.2(3) ?
N2 N1 C1 N3 . . . . -179.6(2) ?
N2 N1 C1 S1 . . . . -0.2(4) ?
C10 N3 C1 N1 . . . . -6.2(4) ?
C10 N3 C1 S1 . . . . 174.3(2) ?
Sn S1 C1 N1 . . . . 1.1(3) ?
Sn S1 C1 N3 . . . . -179.43(18) ?
N1 N2 C2 C3 . . . . 180.0(2) ?
Sn N2 C2 C3 . . . . -6.0(4) ?
N2 C2 C3 C4 . . . . -7.4(4) ?
N2 C2 C3 C8 . . . . 174.2(3) ?
Sn O1 C4 C3 . . . . 26.6(4) ?
Sn O1 C4 C5 . . . . -156.24(18) ?
C8 C3 C4 O1 . . . . 175.9(2) ?
C2 C3 C4 O1 . . . . -2.4(4) ?
C8 C3 C4 C5 . . . . -1.2(4) ?
C2 C3 C4 C5 . . . . -179.5(2) ?
C9 O2 C5 C6 . . . . 1.9(4) ?
C9 O2 C5 C4 . . . . -179.0(2) ?
O1 C4 C5 C6 . . . . -176.8(2) ?
C3 C4 C5 C6 . . . . 0.5(4) ?
O1 C4 C5 O2 . . . . 4.0(3) ?
C3 C4 C5 O2 . . . . -178.7(2) ?
O2 C5 C6 C7 . . . . 179.8(2) ?
C4 C5 C6 C7 . . . . 0.7(4) ?
C5 C6 C7 C8 . . . . -1.3(4) ?
C6 C7 C8 C3 . . . . 0.6(5) ?
C4 C3 C8 C7 . . . . 0.7(4) ?
C2 C3 C8 C7 . . . . 179.1(3) ?
C1 N3 C10 C15 . . . . -177.9(3) ?
C1 N3 C10 C11 . . . . 1.8(4) ?
C15 C10 C11 C12 . . . . 1.8(4) ?
N3 C10 C11 C12 . . . . -177.9(3) ?
C10 C11 C12 C13 . . . . -0.2(4) ?
C11 C12 C13 C14 . . . . -1.5(4) ?
C12 C13 C14 C15 . . . . 1.6(4) ?
C13 C14 C15 C10 . . . . 0.0(4) ?
C11 C10 C15 C14 . . . . -1.7(4) ?
N3 C10 C15 C14 . . . . 178.0(2) ?
Sn C16 C17 C18 . . . . -171.27(19) ?
C16 C17 C18 C19 . . . . 178.9(3) ?
Sn C20 C21 C22 . . . . 174.5(2) ?
C20 C21 C22 C23 . . . . -177.7(3) ?

_cod_database_fobs_code 2243758
