#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2013844.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_2013844
_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  'Dirubidium copper(II) oxalate dihydrate'
_chemical_formula_moiety  'C4 H4 Cu O10 Rb2'
_chemical_formula_sum  'C4 H4 Cu O10 Rb2'
_chemical_formula_iupac  '[Rb2 Cu (C2 O4)2 (H2 O)2]'
_chemical_formula_weight  446.55
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  7.0000(10)
_cell_length_b  8.949(2)
_cell_length_c  8.982(2)
_cell_angle_alpha  108.05(3)
_cell_angle_beta  97.69(3)
_cell_angle_gamma  97.99(3)
_cell_volume  520.3(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.850
_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
  Rb1 0.36833(4) 0.11883(3) 0.66573(2) 0.03173(8) Uani d . 1 . . Rb
  Rb2 0.25523(3) 0.55140(3) 0.63007(3) 0.03259(8) Uani d . 1 . . Rb
  Cu1 0.0000 0.0000 0.0000 0.02151(9) Uani d S 1 . . Cu
  Cu2 0.5000 0.5000 0.0000 0.02131(10) Uani d S 1 . . Cu
  C1 0.1311(3) 0.3660(2) 0.0004(2) 0.0194(4) Uani d . 1 . . C
  C2 0.2251(3) 0.4665(2) 0.1773(2) 0.0199(4) Uani d . 1 . . C
  C3 0.2628(3) 0.1559(3) 0.2745(2) 0.0238(4) Uani d . 1 . . C
  C4 0.0562(3) 0.1520(3) 0.3179(2) 0.0246(4) Uani d . 1 . . C
  O1 -0.0331(2) 0.2808(2) -0.03125(19) 0.0312(4) Uani d . 1 . . O
  O2 0.2361(2) 0.37932(19) -0.10198(17) 0.0239(3) Uani d . 1 . . O
  O3 0.1293(2) 0.4699(2) 0.28201(19) 0.0313(4) Uani d . 1 . . O
  O4 0.4047(2) 0.53626(19) 0.19850(17) 0.0238(3) Uani d . 1 . . O
  O5 0.4100(3) 0.2198(2) 0.3775(2) 0.0392(4) Uani d . 1 . . O
  O6 0.2631(2) 0.0892(2) 0.12515(17) 0.0260(3) Uani d . 1 . . O
  O7 0.0398(3) 0.2196(2) 0.45588(19) 0.0373(4) Uani d . 1 . . O
  O8 -0.0872(2) 0.0760(2) 0.20220(18) 0.0268(3) Uani d . 1 . . O
  OW9 0.5727(3) 0.2387(3) 0.0175(2) 0.0358(4) Uani d . 1 . . O
  OW10 0.7878(3) 0.1353(2) 0.6452(2) 0.0351(4) Uani d . 1 . . O
  H1 0.848(6) 0.171(4) 0.595(4) 0.054(11) Uiso d . 1 . . H
  H2 0.842(5) 0.180(4) 0.739(4) 0.053(10) Uiso d . 1 . . H
  H3 0.502(7) 0.175(5) 0.039(5) 0.075(14) Uiso d . 1 . . H
  H4 0.689(6) 0.219(5) 0.016(4) 0.065(11) 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
  Rb1 0.03486(14) 0.03152(13) 0.02394(13) 0.00059(9) 0.00844(9) 0.00374(9)
  Rb2 0.02269(12) 0.03945(14) 0.03162(13) -0.00294(9) -0.00095(9) 0.01260(10)
  Cu1 0.01680(17) 0.0273(2) 0.01724(18) -0.00022(14) 0.00411(12) 0.00445(13)
  Cu2 0.01554(17) 0.0286(2) 0.01555(17) -0.00190(14) 0.00433(12) 0.00349(13)
  C1 0.0171(9) 0.0206(9) 0.0209(9) 0.0036(7) 0.0042(7) 0.0074(7)
  C2 0.0208(9) 0.0204(9) 0.0202(9) 0.0045(8) 0.0059(7) 0.0083(7)
  C3 0.0240(10) 0.0244(10) 0.0220(10) -0.0027(8) 0.0033(8) 0.0098(8)
  C4 0.0292(11) 0.0215(10) 0.0218(10) 0.0000(8) 0.0067(8) 0.0068(8)
  O1 0.0199(8) 0.0371(9) 0.0325(9) -0.0047(7) 0.0047(6) 0.0103(7)
  O2 0.0186(7) 0.0298(8) 0.0194(7) 0.0001(6) 0.0039(5) 0.0047(6)
  O3 0.0298(9) 0.0395(10) 0.0257(8) 0.0027(7) 0.0148(7) 0.0101(7)
  O4 0.0207(7) 0.0294(8) 0.0186(7) 0.0012(6) 0.0056(5) 0.0051(6)
  O5 0.0310(9) 0.0504(11) 0.0270(9) -0.0154(8) -0.0041(7) 0.0137(8)
  O6 0.0177(7) 0.0344(8) 0.0223(8) -0.0008(6) 0.0042(6) 0.0064(6)
  O7 0.0473(11) 0.0377(10) 0.0224(8) 0.0000(8) 0.0151(7) 0.0037(7)
  O8 0.0229(8) 0.0326(8) 0.0226(7) 0.0004(6) 0.0075(6) 0.0070(6)
  OW9 0.0298(10) 0.0414(11) 0.0443(11) 0.0130(8) 0.0152(8) 0.0195(8)
  OW10 0.0381(10) 0.0332(9) 0.0281(10) -0.0047(8) 0.0057(8) 0.0070(7)
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
  Rb1 OW10 . 2.953(2) yes
  Rb1 OW10 2_656 2.954(2) yes
  Rb1 O2 1_556 2.9575(18) yes
  Rb1 O5 . 3.0304(19) yes
  Rb1 O8 2_556 3.0450(18) yes
  Rb1 O4 2_666 3.054(2) yes
  Rb1 OW9 1_556 3.073(2) yes
  Rb1 O7 . 3.181(2) yes
  Rb1 O5 2_656 3.533(2) yes
  Rb2 O3 2_566 2.9024(17) yes
  Rb2 O5 2_666 2.912(2) yes
  Rb2 O3 . 2.9586(19) yes
  Rb2 O7 . 2.964(2) yes
  Rb2 O4 2_666 2.9901(17) yes
  Rb2 OW9 2_666 3.109(2) yes
  Rb2 O2 1_556 3.2414(17) yes
  Rb2 O7 2_566 3.285(2) yes
  Rb2 O5 . 3.536(2) no
  Cu1 O6 2 1.9429(17) yes
  Cu1 O6 . 1.9429(17) no
  Cu1 O8 . 1.9444(16) yes
  Cu1 O8 2 1.9444(16) no
  Cu1 O1 2 2.6512(19) yes
  Cu1 O1 . 2.6512(19) no
  Cu2 O4 . 1.9363(15) yes
  Cu2 O4 2_665 1.9363(15) no
  Cu2 O2 . 1.9487(16) yes
  Cu2 O2 2_665 1.9487(16) no
  Cu2 OW9 . 2.508(2) yes
  Cu2 OW9 2_665 2.508(2) no
  C1 O1 . 1.232(3) no
  C1 O2 . 1.274(2) no
  C1 C2 . 1.561(3) no
  C2 O3 . 1.221(3) no
  C2 O4 . 1.285(3) no
  C3 O5 . 1.224(3) no
  C3 O6 . 1.289(3) no
  C3 C4 . 1.546(3) no
  C4 O7 . 1.228(3) no
  C4 O8 . 1.282(3) no
  OW9 H3 . 0.79(5) no
  OW9 H4 . 0.86(4) no
  OW10 H1 . 0.76(4) no
  OW10 H2 . 0.82(4) no