#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012182.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_2012182
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  1012
_journal_page_last  1013
_publ_section_title
;
\b-CdC~2~O~4~
;
loop_
_publ_author_name
  'Jeanneau, Erwann'
  'Audebrand, Nathalie'
  'Lou\"er, Daniel'
_chemical_name_common  'Anhydrous cadmium oxalate'
_chemical_formula_moiety  'C2 Cd O4'
_chemical_formula_sum  'C2 Cd O4'
_chemical_formula_iupac  'Cd C2 O4'
_chemical_formula_weight  200.43
_symmetry_cell_setting  'monoclinic'
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  5.8260(5)
_cell_length_b  5.2520(7)
_cell_length_c  5.8320(7)
_cell_angle_alpha  90
_cell_angle_beta  113.86(2)
_cell_angle_gamma  90
_cell_volume  163.19(3)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  4.079
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Cd 0 0 0  .01316(11) Uani d S 1 . . Cd
  O1  -.1107(3)  .2305(3)  .2625(3)  .0161(3) Uani d . 1 . . O
  O2  -.1786(3)  .1954(3)  .6104(3)  .0149(3) Uani d . 1 . . O
  C  -.0832(4)  .1218(4)  .4619(4)  .0122(4) Uani d . 1 . . C
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Cd  .01759(16)  .01449(16)  .00899(16)  -.00281(7)  .00702(11)  -.00155(7)
  O1  .0200(8)  .0181(8)  .0122(7)  .0038(6)  .0085(6)  .0034(6)
  O2  .0172(8)  .0173(8)  .0121(7)  .0059(6)  .0079(6)  .0019(6)
  C  .0116(9)  .0127(10)  .0121(10)  .0006(9)  .0047(7)  .0001(8)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Cd O1 3 2.2417(15) no
  Cd O1 . 2.2417(15) yes
  Cd O2 1_554 2.3205(15) yes
  Cd O2 3_556 2.3205(15) no
  Cd O2 4_665 2.3461(15) no
  Cd O2 2_445 2.3461(15) yes
  C O1 . 1.246(2) yes
  C O2 . 1.264(2) yes
  O2 Cd 1_556 2.3205(15) no
  O2 Cd 2_455 2.3461(15) no
  C C 3_556 1.557(4) yes