#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2013842.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_2013842
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2004
_journal_volume  60
_journal_page_first  m129
_journal_page_last  m133
_publ_section_title
;
RbCr^III^(C~2~O~4~)~2~.2H~2~O, Cs~2~Mg(C~2~O~4~)~2~.4H~2~O and
Rb~2~Cu^II^(C~2~O~4~)~2~.2H~2~O: three new complex oxalate hydrates
;
loop_
_publ_author_name
  'Kolitsch, Uwe'
_chemical_name_common  'Rubidium chromium(III) oxalate dihydrate'
_chemical_formula_moiety  'C4 H4 Cr O10 Rb'
_chemical_formula_sum  'C4 H4 Cr O10 Rb'
_chemical_formula_iupac  '[Rb Cr (C2 O4)2 (H2 O)2]'
_chemical_formula_weight  349.54
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 2/m'
_symmetry_space_group_name_Hall  '-C 2y'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z'
  '-x, -y, -z'
  'x, -y, z'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z'
_cell_length_a  6.6390(10)
_cell_length_b  7.3130(10)
_cell_length_c  10.078(2)
_cell_angle_alpha  90
_cell_angle_beta  92.46(3)
_cell_angle_gamma  90
_cell_volume  488.85(14)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.375
_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
  Rb 0.0000 0.5000 0.5000 0.02849(15) Uani d S 1 . . Rb
  Cr 0.5000 0.5000 0.0000 0.01441(14) Uani d S 1 . . Cr
  O1 0.43538(15) 0.32232(13) 0.13719(10) 0.0204(2) Uani d . 1 . . O
  OW2 0.2128(2) 0.5000 -0.06230(18) 0.0254(3) Uani d S 1 . . O
  O3 0.31678(19) 0.30771(17) 0.34099(12) 0.0340(3) Uani d . 1 . . O
  C 0.3731(2) 0.3934(2) 0.24689(14) 0.0208(3) Uani d . 1 . . C
  H 0.165(4) 0.415(3) -0.102(2) 0.055(7) Uiso d . 1 . . H
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
  Rb 0.0371(2) 0.02514(19) 0.0239(2) 0.000 0.00899(12) 0.000
  Cr 0.0168(2) 0.0104(2) 0.0163(2) 0.000 0.00376(15) 0.000
  O1 0.0274(5) 0.0133(4) 0.0208(5) -0.0010(4) 0.0058(4) 0.0014(3)
  OW2 0.0215(7) 0.0145(6) 0.0397(9) 0.000 -0.0045(6) 0.000
  O3 0.0466(7) 0.0302(6) 0.0263(6) 0.0014(5) 0.0133(5) 0.0084(5)
  C 0.0234(6) 0.0194(6) 0.0199(6) -0.0002(5) 0.0030(5) 0.0018(5)
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
  Rb O3 4_556 2.9906(13) yes
  Rb O3 8_455 2.9906(13) no
  Rb O3 7_556 2.9906(13) no
  Rb O3 3_455 2.9906(13) no
  Rb O3 2_556 3.0426(14) yes
  Rb O3 5_566 3.0426(14) no
  Rb O3 . 3.0426(14) no
  Rb O3 6_565 3.0426(14) no
  Cr O1 6_565 1.9583(10) yes
  Cr O1 . 1.9583(10) no
  Cr O1 2_655 1.9583(10) no
  Cr O1 5_665 1.9583(10) no
  Cr OW2 . 1.9816(15) yes
  Cr OW2 5_665 1.9816(15) no
  O1 C . 1.3047(17) yes
  O3 C . 1.2093(17) yes
  C C 6_565 1.559(3) yes
  OW2 H . 0.80(2) no