#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000443.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_2000443
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1982
_journal_page_last  1984
loop_
_publ_author_name
 'Iwasaki, K.'
 'Ida, T.'
 'Kawamoto. A.'
 'Ugawa, A.'
 'Yamashita, Y.'
 'Yakushi, K.'
 'Suziki, T.'
_chemical_formula_sum  'C26 H8 N8 S6'
_chemical_formula_weight  624.8
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P n m n'
_symmetry_space_group_name_Hall  ?
_cell_length_a  12.940(3)
_cell_length_b  13.551(3)
_cell_length_c  7.440(2)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  1304.6(5)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.59
_exptl_crystal_density_meas  1.60
_exptl_crystal_F_000  632
_exptl_absorpt_coefficient_mu  0.496
_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
 S(1) .0 .25640(10)
      .0
 N(1) .0875(2) .1804(2) -.0653(4)
 C(1) .0510(2) .0898(2) -.0372(4)
 C(2) .1090(3) .0 -.0792(7)
 C(3) .2073(3) .0 -.1463(7)
 C(4) .2655(3) -.0873(3) -.1846(5)
 N(2) .3202(3) -.1511(3) -.2193(5)
 S(2) .11480(10)
      -.11010(10)
       .42030(10)
 C(5) .0489(4) .0 .4651(7)
 C(6) .2267(3) -.0515(3) .3364(5)
 C(7) .3112(3) -.1026(4) .2757(6)
 C(8) .3967(3) -.0515(4) .2144(6)
 H(7) .309(3) -.171(4) .259(6)
 H(8) .453(3) -.085(3) .163(6)