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#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000150.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_2000150
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  2647
_journal_page_last  2649
loop_
_publ_author_name
 'Khoo, L.E.'
 'Chen, X.-M.'
 'Mak, T.C.W.'
_chemical_formula_moiety  '3(C6 H5),C1 N1 S1 Sn1'
_chemical_formula_sum  'C19 H15 N1 S1 Sn1'
_chemical_formula_weight  408.10
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P n a 21'
_symmetry_space_group_name_Hall  'P 2c -2n'
_cell_length_a  8.966(2)
_cell_length_b  14.552(5)
_cell_length_c  13.085(4)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1707.4(7)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.587
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  808
_exptl_absorpt_coefficient_mu  1.66
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Sn(1) .06230(10)    -.00050(10)  .0 .04570(10)
 S(1) -.2456(4) -.0051(6) -.3171(3) .084(2)
 C(1) -.1374(15) .0045(15) -.2213(12) .055(6)
 N(1) -.0635(14) .0080(16) -.1490(10) .067(5)
 C(11) -.1118(9) .0684(7) .0783(8) .043(4)
 C(12) -.1277 .1633 .0679 .050(5)
 C(13) -.2478 .2081 .1139 .061(5)
 C(14) -.3519 .1580 .1703 .065(5)
 C(15) -.3359 .0631 .1807 .058(5)
 C(16) -.2159 .0183 .1347 .055(5)
 C(21) .2424(10) .0732(7) -.0681(8) .039(4)
 C(22) .2123 .1391 -.1427 .060(5)
 C(23) .3294 .1835 -.1926 .068(5)
 C(24) .4766 .1619 -.1680 .066(6)
 C(25) .5068 .0960 -.0934 .060(5)
 C(26) .3896 .0516 -.0435 .055(5)
 C(31) .0798(12) -.1460(6) -.0081(13) .050(4)
 C(32) .1542 -.1809 -.0933 .089(7)
 C(33) .1689 -.2756 -.1061 .110(9)
 C(34) .1092 -.3355 -.0336 .081(7)
 C(35) .0348 -.3007 .0516 .095(8)
 C(36) .0201 -.2059 .0644 .075(6)
 H(12) -.0561 .1977 .0292 ?
 H(13) -.2587 .2734 .1068 ?
 H(14) -.4345 .1889 .2019 ?
 H(15) -.4076 .0287 .2195 ?
 H(16) -.2049 -.0470 .1418 ?
 H(22) .1109 .1540 -.1597 ?
 H(23) .3087 .2289 -.2439 ?
 H(24) .5573 .1924 -.2023 ?
 H(25) .6081 .0811 -.0764 ?
 H(26) .4104 .0062 .0078 ?
 H(32) .1953 -.1396 -.1432 ?
 H(33) .2201 -.2996 -.1647 ?
 H(34) .1193 -.4007 -.0424 ?
 H(35) -.0063 -.3419 .1015 ?
 H(36) -.0312 -.1820 .1231 ?