#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005283.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_2005283
_journal_name_full 'Acta Crystallographica Section C'
_journal_year       1996
_journal_volume 52
_journal_page_first             1935
_journal_page_last              1939
_publ_section_title
;
Molecular Adducts of Inorganic Salts. VI. The Dimorphism of
Cd(ReO~4~)~2~.2tu (tu = Thiourea)
;
_chemical_formula_iupac        'Cd (Re O4)2, 2C H4 N2 S'
_chemical_formula_sum          'C2 H8 Cd N4 O8 Re2 S2'
_chemical_formula_structural    'Cd 2(Re O4) 2(S C N2 H4)'
_chemical_formula_weight        765.03
_symmetry_cell_setting          monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
        '+x,+y,+z'
        '-x,1/2+y,1/2-z'
        '-x,-y,-z'
        '+x,1/2-y,1/2+z'
_cell_length_a                  5.935(4)
_cell_length_b                  11.358(1)
_cell_length_c                  10.490(2)
_cell_angle_alpha               90
_cell_angle_beta                94.66(1)
_cell_angle_gamma               90
_cell_volume                    704.8(3)
_cell_formula_units_Z           2
_exptl_crystal_density_diffrn   3.604
_cell_measurement_radiation     MoK\a
_cell_measurement_temperature   292
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cd              0               0               0               .0252(1)
Re              .48415(4)       .22181(2)       -.06024(2)      .02115(6)
O1              .212(1)         .1712(5)        -.0537(6)       .043(1)
O2              .677(1)         .1266(5)        .0199(6)        .048(1)
O3              .549(1)         .2355(4)        -0.2159(6)      .041(1)
O4              .502(1)         .3565(4)        .0144(5)        .036(1)
S               .1393(3)        .0457(2)        .2254(2)        .0323(4)
N1              -0.266(1)       .0035(6)        .3025(7)        .045(2)
N2              .004(1)         -0.1315(8)      .360(1)         .078(2)
C               -.058(1)        -.0325(6)       .3025(7)        .033(1)
H11             -0.3711         -0.0413         .346            .0506
H12             -0.3136         .0741           .2597           .0506
H21             -0.1018         -0.1757         .4031           .0506
H22             .1552           -0.159          .3578           .0506
_cod_database_code 2005283