#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004978.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_2004978
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first     1503
_journal_page_last     1505
_publ_section_title
;
[1,3]Dithiolo[4,5-b][1]benzothiophene-2-thione
;
_chemical_formula_moiety     'C9 H4 S4'
_chemical_formula_sum     'C9 H4 S4'
_chemical_formula_structural     'C9 H4 S4'
_chemical_formula_analytical     'C9 H4 S4'
_chemical_formula_weight     240.37
_symmetry_cell_setting    'monoclinic'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   +x,   +y,   +z'
'   -x,   +y,1/2-z'
'   -x,   +y,1/2-z'
'   -x,   -y,   -z'
'   -x,   -y,   -z'
'   +x,   -y,1/2+z'
'   +x,   -y,1/2+z'
_cell_length_a     23.144(3)
_cell_length_b     4.0360(10)
_cell_length_c     20.956(3)
_cell_angle_alpha     90
_cell_angle_beta     103.890(10)
_cell_angle_gamma     90
_cell_volume     1900.2(5)
_cell_formula_units_Z     8
_exptl_crystal_density_diffrn     1.680
_cell_measurement_temperature     296
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
S  .13766(9) -0.2392(7)  .65630(9)  .0558(7)
S1  .08111(8)  .0772(6)  .75450(8)  .0412(6)
S3  .20948(8)  -.0197(6)  .78671(8)  .0390(6)
S4  .21662(7)  .3318(5)  .91997(8)  .0378(6)
C2  .1425(3)  -.066(2)  .7282(3)  .038(2)
C5  .1411(3)  .632(2)  .9903(3)  .039(2)
C6  .0844(3)  .720(2)  .9924(3)  .046(2)
C7  .0364(3)  .656(2)  .9408(4)  .048(3)
C8  .0430(3)  .501(2)  .8849(3)  .045(2)
C9  .1796(3)  .177(2)  .8441(3)  .033(2)
C10  .1208(3)  .224(2)  .8305(3)  .031(2)
C11  .1490(3)  .470(2)  .9343(3)  .037(2)
C12  .1001(3)  .398(2)  .8819(3)  .030(2)
H5  .1741  .6798 1.0259  .0463
H6  .0781  .8263 1.0306  .0555
H7 -0.0022  .7213  .9442  .0560
H8  .0098  .4669  .8491  .0543