#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000529.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_2000529
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1808
_journal_page_last  1810
loop_
_publ_author_name
 'Ginderow, D.'
 'Mornon, J.-P.'
 'Erdelmeier, I.'
 'Dansette, P.'
 'Mansuy, D.'
_chemical_formula_sum  'C10 H12 O2 S2'
_chemical_formula_weight  228.33
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/a'
_symmetry_space_group_name_Hall  ?
_cell_length_a  16.398(7)
_cell_length_b  8.128(3)
_cell_length_c  7.937(3)
_cell_angle_alpha  90.
_cell_angle_beta  92.13
_cell_angle_gamma  90.
_cell_volume  1057.14
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.434
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  480
_exptl_absorpt_coefficient_mu  4.27
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.5418
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 S(1) .16480(10)
      .5000(2) .3672(2)
 S(2) .13450(10)
      .9973(2) .3412(2)
 O(1) .2115(3) .5180(7) .2075(6)
 O(2) .1444(3) .8793(6) -.1503(5)
 C(2) .1786(3) .6913(8) .4827(7)
 C(3) .1060(3) .8063(7) .4436(6)
 C(3a) .0407(3) .7098(6) .3520(6)
 C(4) -.0360(3) .7643(7) .3063(7)
 C(5) -.0897(3) .6610(9) .2235(8)
 C(6) -.0684(4) .5022(9) .1884(7)
 C(7) .0069(4) .4452(7) .2324(7)
 C(7a) .0612(3) .5511(6) .3132(6)
 C(1') .1749(3) .9277(8) .1420(7)
 C(2') .1125(4) .9268(9) .0041(7)
 H(2a) .181(3) .644(7) .609(7)
 H(2b) .238(4) .730(7) .446(7)
 H(3) .081(3) .836(7) .545(7)
 H(4) -.049(3) .858(8) .336(7)
 H(5) -.143(4) .639(7) .212(7)
 H(6) -.103(3) .455(7) .135(7)
 H(7) .024(3) .362(8) .207(7)
 H(1'a) .228(4) .998(8) .086(7)
 H(1'b) .210(3) .826(8) .149(7)
 H(2'a) .094(3) 1.040(8) -.011(7)
 H(2'b) .055(3) .857(7) .042(7)
 H(O2) .195(4) .921(7) -.170(7)