#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000663.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_2000663
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1394
_journal_page_last  1397
loop_
_publ_author_name
 'Du, J.-L.'
 'Rettig, S.J.'
 'Thompson, R.C.'
 'Trotter, J.'
_chemical_formula_sum  'C6 H8 Cd1 Cl1 O3 P1'
_chemical_formula_weight  306.96
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  ?
_cell_length_a  12.855(2)
_cell_length_b  13.501(2)
_cell_length_c  5.8864(6)
_cell_angle_alpha  102.600(10)
_cell_angle_beta  103.240(10)
_cell_angle_gamma  110.235(9)
_cell_volume  882.3(2)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  2.311
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  592
_exptl_absorpt_coefficient_mu  2.91
_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
 Cd(1) .250010(10)
     .249981(9) .02041(2)
 Cd(2) .0 .0 .0
 Cd(3) .5 .5 .5
 Cl(1) .19950(3) .03914(3) -.09281(7)
 Cl(2) .30046(3) .46084(3) .16849(7)
 P(1) .10740(3) .26467(3) .45162(6)
 P(2) .39260(3) .23533(3) .57957(6)
 O(1) .10070(10)
      .19520(10)
         .2019(2)
 O(2) .11120(10)
      .20980(10)
         .6508(2)
 O(3) .39930(10)
      .30490(10)
         .4067(2)
 O(4) .38870(10)
      .29030(10)
         .8301(2)
 O(5) -.07320(10)
       .04910(10)
       -.3219(2)
 O(6) .57330(10)
      .45150(10)
         .2022(2)
 C(1) -.00950(10)
       .30890(10)
       .4202(3)
 C(2) -.0838(2) .2948(2) .1912(3)
 C(3) -.1663(2) .3396(2) .1786(4)
 C(4) -.1748(2) .3986(2) .3947(5)
 C(5) -.1028(2) .4109(2) .6214(4)
 C(6) -.0195(2) .3667(2) .6366(3)
 C(7) .50920(10)
      .19110(10)
         .6207(3)
 C(8) .5194(2) .1329(2) .7886(3)
 C(9) .6026(2) .0884(2) .8125(4)
 C(10) .6755(2) .1016(2) .6726(4)
 C(11) .6666(2) .1603(2) .5057(4)
 C(12) .5839(2) .2051(2) .4803(3)