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#$Date: 2022-10-03 15:40:12 +0100 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/08/2000845.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_2000845
loop_
_publ_author_name
'Yeap, G.-Y.'
'Fun, H.-K.'
'Teo, S.-B.'
'Teoh, S.-G.'
_publ_section_title
;Structure of
 [<i>N</i>-(2-mercaptophenyl)salicylideneaminato-<i>N</i>,<i>O</i>,<i>S</i>]dimethyltin(IV)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1109
_journal_page_last               1110
_journal_paper_doi               10.1107/S0108270191013045
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C15 H15 N O S Sn'
_chemical_formula_weight         376.04
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.200(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.623(2)
_cell_length_b                   8.2020(10)
_cell_length_c                   18.757(3)
_cell_volume                     1471.8(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.87
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_meas      1.688
_exptl_crystal_F_000             744
_cod_data_source_file            li0115.cif
_cod_data_source_block           li0115a
_cod_original_cell_volume        1471.79(7)
_cod_original_formula_sum        'C15 H15 N1 O1 S1 Sn1'
_cod_database_code               2000845
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sn .29055(3) .22146(4) .01874(2)
S1 .1136(2) .2452(2) .11040(10)
C1 .1411(5) .4546(6) .1279(3)
C2 .1965(4) .5537(6) .0780(2)
C3 .2162(6) .7187(7) .0917(3)
C4 .1794(6) .7894(8) .1542(3)
C5 .1254(7) .6875(9) .2049(3)
C6 .1080(6) .5237(9) .1916(3)
N1 .2405(4) .4802(5) .0151(2)
C7 .2300(5) .5639(7) -.0450(3)
C8 .2881(5) .5176(6) -.1091(2)
C9 .3898(5) .3940(7) -.1114(3)
C10 .4527(5) .3742(8) -.1751(3)
C11 .4150(6) .4712(9) -.2336(3)
C12 .3134(6) .5928(10) -.2322(3)
C13 .2516(6) .6174(8) -.1705(3)
O1 .4289(4) .2999(4) -.0557(2)
C14 .1672(6) .0811(8) -.0596(3)
C15 .4621(6) .1298(9) .0860(3)
H3 .2557(6) .7855(7) .0569(3)
H4 .1908(6) .9043(8) .1628(3)
H5 .1010(7) .7327(9) .2491(3)
H6 .0717(6) .4553(9) .2268(3)
H7 .1790(5) .6647(7) -.0460(3)
H10 .5232(5) .2920(8) -.1772(3)
H11 .4587(6) .4540(9) -.2766(3)
H12 .2870(6) .6576(10) -.2741(3)
H13 .1838(6) .7028(8) -.1688(3)
H141 .0924(6) .0301(8) -.0379(3)
H142 .2239(6) -.0012(8) -.0785(3)
H143 .1291(6) .1514(8) -.0977(3)
H151 .4298(6) .0822(9) .1280(3)
H152 .5259(6) .2170(9) .1000(3)
H153 .5090(6) .0482(9) .0607(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
S1 Sn 2.5540(10)
N1 Sn 2.176(4)
O1 Sn 2.130(4)
C14 Sn 2.125(6)
C15 Sn 2.106(5)
C1 S1 1.764(5)
C2 C1 1.389(6)
C6 C1 1.390(7)
C3 C2 1.387(8)
N1 C2 1.428(6)
C4 C3 1.388(8)
C5 C4 1.407(9)
C6 C5 1.373(10)
C7 N1 1.315(6)
C8 C7 1.431(7)
C9 C8 1.413(7)
C13 C8 1.426(7)
C10 C9 1.407(7)
O1 C9 1.321(6)
C11 C10 1.372(8)
C12 C11 1.398(10)
C13 C12 1.371(7)