#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005024.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_2005024
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first     1371
_journal_page_last     1373
_publ_section_title
;
[(N,N-Dimethylthiocarbamoylthioacetato]trimethyltin
;
_chemical_formula_moiety     '[(CH3)3Sn] [O2CCH2S2CN(CH3)2]'
_chemical_formula_sum            'C8 H17 N O2 S2 Sn'
_[local]_cod_chemical_formula_sum_orig 'C8 H17 N1 O2 S2 Sn1'
_chemical_formula_weight     342.04
_symmetry_cell_setting    'triclinic'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
_symmetry_space_group_name_H-M     'P -1'
_cell_length_a     9.761(2)
_cell_length_b     12.422(2)
_cell_length_c     12.486(2)
_cell_angle_alpha     108.270(10)
_cell_angle_beta     101.26(2)
_cell_angle_gamma     100.02(2)
_cell_volume     1364.3(4)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.665
_cell_measurement_temperature     298
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sn1A 1 1.28582(2)  .23808(2)  .24316(2)  .04002(7)
S1A 1  .98394(10)  .52150(9)  .17418(11)  .0657(3)
S2A 1  .7536(2)  .59011(13)  .2885(2)  .0956(5)
O1A 1 1.1347(2)  .3446(2)  .2024(2)  .0526(6)
O2A 1  .9980(3)  .2695(2)  .2949(2)  .0551(6)
N1A 1  .8842(3)  .7029(3)  .1762(3)  .0588(7)
C1A 1 1.3384(6)  .3335(5)  .4231(4)  .0714(12)
C2A 1 1.1313(5)  .0765(4)  .1495(5)  .0678(11)
C3A 1 1.4149(5)  .2890(5)  .1411(5)  .0689(11)
C4A 1 1.0242(3)  .3344(3)  .2406(3)  .0483(7)
C5A 1  .9153(5)  .4014(5)  .2154(6)  .083(2)
C6A 1  .8695(3)  .6129(3)  .2130(3)  .0481(7)
C7A 1  .9847(7)  .7236(6)  .1087(8)  .096(2)
C8A 1  .8020(8)  .7897(5)  .2064(7)  .095(2)
Sn1B 1  .79145(2)  .16842(2)  .33868(2)  .04185(7)
S1B 1  .38309(10) -0.15048(7)  .35545(7)  .0491(2)
S2B 1  .36605(11) -0.16700(8)  .10749(8)  .0563(2)
O1B 1  .6138(2)  .0559(2)  .3695(2)  .0438(5)
O2B 1  .4638(2)  .1423(2)  .2928(2)  .0518(5)
N1B 1  .3823(3) -0.3391(2)  .1895(2)  .0518(6)
C1B 1  .7676(5)  .3321(4)  .4388(4)  .0659(10)
C2B 1  .7141(5)  .0847(4)  .1559(3)  .0586(9)
C3B 1  .9448(5)  .1096(5)  .4349(5)  .0755(13)
C4B 1  .4887(3)  .0665(3)  .3350(3)  .0405(6)
C5B 1  .3636(4)  -.0110(3)  .3521(3)  .0467(7)
C6B 1  .3783(3) -0.2280(3)  .2087(3)  .0418(6)
C7B 1  .3876(5) -0.3905(4)  .2796(4)  .0613(9)
C8B 1  .3799(7) -0.4166(4)  .0746(4)  .0789(14)
H1A 1 1.302(6)    .394(5)    .435(5)    .100
H2A 1 1.424(7)    .349(5)    .454(5)    .100
H3A 1 1.311(6)    .280(5)    .456(5)    .100
H4A 1 1.082(6)    .057(5)    .217(5)    .100
H5A 1 1.073(7)    .085(5)    .111(5)    .100
H6A 1 1.186(6)    .024(5)    .109(5)    .100
H7A 1 1.442(6)    .227(5)    .101(5)    .100
H8A 1 1.359(6)    .320(5)    .099(5)    .100
H9A 1 1.510(7)    .331(5)    .175(5)    .100
H10A 1  .896(7)    .431(5)    .286(5)    .100
H11A 1  .845(6)    .347(5)    .153(5)    .100
H12A 1 1.066(7)    .752(5)    .160(5)    .100
H13A 1  .984(6)    .777(5)    .074(5)    .100
H14A 1 1.005(7)    .666(5)    .070(5)    .100
H15A 1  .706(6)    .743(5)    .169(5)    .100
H16A 1  .788(7)    .801(5)    .276(6)    .100
H17A 1  .808(7)    .827(6)    .175(5)    .100
H1B 1  .709(6)    .321(5)    .487(5)    .100
H2B 1  .723(6)    .370(5)    .389(5)    .100
H3B 1  .865(6)    .385(5)    .478(5)    .100
H4B 1  .656(7)    .030(6)    .140(5)    .100
H5B 1  .772(7)    .061(5)    .125(5)    .100
H6B 1  .649(6)    .120(5)    .124(5)    .100
H7B 1  .903(6)    .049(5)    .446(5)    .100
H8B 1  .955(7)    .146(6)    .501(5)    .100
H9B 1 1.034(7)    .093(5)    .419(5)    .100
H10B 1  .343(6)    .031(5)    .429(5)    .100
H11B 1  .276(6)    -.018(5)    .287(5)    .100
H12B 1  .468(6)   -0.342(5)    .344(5)    .100
H13B 1  .394(6)   -0.456(5)    .249(5)    .100
H14B 1  .301(6)   -0.366(5)    .321(5)    .100
H15B 1  .293(7)   -0.440(5)    .031(5)    .100
H16B 1  .434(6)   -0.463(5)    .087(5)    .100
H17B 1  .396(6)   -0.371(5)    .027(5)    .100
_cod_database_code 2005024