#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000468.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_2000468
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2032
_journal_page_last  2033
loop_
_publ_author_name
 'Tinant, B.'
 'Feneau-Dupont, J.'
 'Declercq, J.P.'
 'Evariste, F.'
 'Viehe, H.G.'
_chemical_formula_sum  'C6 H5 F3 N2 O1 S1'
_chemical_formula_weight  210.17
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P nma'
_symmetry_space_group_name_Hall  ?
_cell_length_a  17.426(11)
_cell_length_b  6.945(10)
_cell_length_c  6.816(2)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  824.9(7)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.69
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  424
_exptl_absorpt_coefficient_mu  0.404
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 N1 -.0762(2) .2500 .0820(4) .0320(10)
 C2 -.0075(2) .2500 -.0148(5) .0310(10)
 N3 -.0120(2) .2500 -.2166(4) .0330(10)
 C4 -.0812(2) .2500 -.3234(5) .0380(10)
 C5 -.1501(2) .2500 -.2068(5) .0380(10)
 C6 -.1455(2) .2500 -.0128(5) .0330(10)
 S7 .07450(10)
    .2500 .10980(10)
          .0400(10)
 C8 .0595(3) .2500 -.3337(6) .048(2)
 O9 -.0801(2) .2500 -.5016(3) .0580(10)
 C10 -.2152(2) .2500 .1201(6) .0450(10)
 F11 -.21570(10)
      .0986(3) .2363(3) .0760(10)
 F12 -.27910(10)
      .2500 .0177(4) .0830(10)
 H1 -.073(3)   .2500 .200(9)   .088
 H5 -.198(3)   .2500 -.273(7)   .088
 H8A .097(3)   .2500 -.274(7)   .088
 H8B .0560(19) .149(5)   -.416(5)   .088