#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005284.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_2005284
_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          triclinic
loop_
_symmetry_equiv_pos_as_xyz
        '+x,+y,+z'
        '-x,-y,-z'
_symmetry_space_group_name_H-M  'P -1'
_cell_length_a                  8.931(2)
_cell_length_b                  9.066(3)
_cell_length_c                  10.125(1)
_cell_angle_alpha               76.46(2)
_cell_angle_beta                67.08(1)
_cell_angle_gamma               66.39(3)
_cell_volume                    689.0(2)
_cell_formula_units_Z           2
_exptl_crystal_density_diffrn   3.688
_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              .59543(7)       .28733(7)       .42273(6)       .0243(1)
Re1             .50486(4)       -.03097(4)      .75187(3)       .02072(7)
Re2             .70067(4)       .56670(4)       .05582(4)       .0280(1)
S1              .6939(2)        .4443(2)        .5491(2)        .0224(5)
S2              .8435(3)        .0119(3)        .3967(2)        .0312(7)
O11             .4783(8)        .1558(8)        .6495(6)        .031(2)
O12             .5595(8)        -0.1830(8)      .6482(8)        .040(2)
O13             .3163(9)        -.0216(9)       .8921(8)        .039(2)
O14             .6706(9)        -.0807(9)       .8166(8)        .044(2)
O21             .6969(9)        .4101(9)        .1917(8)        .038(2)
O22             .781(1)         .493(1)         -0.1095(8)      .047(2)
O23             .830(1)         .663(1)         .0595(9)        .056(3)
O24             .498(1)         .702(1)         .081(1)         .081(4)
N11             .878(1)         .612(1)         .351(1)         .041(3)
N12             1.010(1)        .341(1)         .358(1)         .043(3)
N21             .992(1)         .114(1)         .1250(8)        .032(2)
N22             1.133(1)        -0.143(1)       .2036(9)        .035(2)
C1              .873(1)         .469(1)         .4064(8)        .023(2)
C2              1.001(1)        -.003(1)        .2264(9)        .023(2)
H111            .9771           .6229           .2725           .0506
H112            .7847           .7057           .3887           .0506
H121            1.1068          .3552           .2801           .0506
H122            1.0111          .2354           .4004           .0506
H211            1.0803          .1009           .0337           .0506
H212            .8952           .2118           .1411           .0506
H221            1.2232          -0.1592         .1131           .0506
H222            1.1342          -0.2282         .2789           .0506
_cod_database_code 2005284