#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000844.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_2000844
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1107
_journal_page_last  1109
loop_
_publ_author_name
 'Antolini, L.'
 'Pecorari, P.'
_chemical_formula_moiety  'C4 H4 F1 N2 O5 S1,K1,H2 O1'
_chemical_formula_sum  'C4 H6 F1 K1 N2 O6 S1'
_chemical_formula_weight  268.26
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  ?
_cell_length_a  6.7300(10)
_cell_length_b  8.3660(10)
_cell_length_c  8.8350(10)
_cell_angle_alpha  74.150(10)
_cell_angle_beta  74.320(10)
_cell_angle_gamma  72.270(10)
_cell_volume  446.2(9)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.92
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  272
_exptl_absorpt_coefficient_mu  0.843
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.7107
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 K .16982(5) .15193(4) .91373(4)
 S .09065(5) .36290(4) .28726(3)
 O(1) .1962(2) .33870(10)
         .12500(10)
 O(2) -.0310(2) .2379(2) .37590(10)
 O(3) -.0313(2) .53730(10)
       .2935(2)
 N(1) .3507(2) .4822(2) .3933(2)
 C(2) .4787(2) .5587(2) .2677(2)
 O(4) .4902(2) .70660(10)
         .25100(10)
 N(3) .6009(2) .46070(10)
         .15570(10)
 C(4) .6223(2) .2897(2) .1722(2)
 O(5) .7273(2) .21130(10)
         .06940(10)
 C(5) .5089(2) .2058(2) .3350(2)
 F .4794(2) .05380(10)
      .32170(10)
 C(6) .3014(2) .3248(2) .39810(10)
 Ow .9247(2) .0531(2) .7712(2)
 H(N1) .270(3) .544(3) .459(3)
 H(N3) .694(3) .517(2) .069(3)
 H(C5) .607(4) .165(3) .423(3)
 H(C6) .254(3) .265(2) .499(2)
 H(w1) .977(4) -.015(3) .704(3)
 H(w2) .832(5) .124(3) .753(3)