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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/36/8103620.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_8103620
loop_
_publ_author_name
'Petrova, R.'
'Angelova, O.'
'Todorov, T.'
'Mihailova, B.'
'Bakardjieva, S.'
_publ_section_title
;
 Crystal structures of Cd (Re O4)2 * 4(Urea), Cd (Re O4)2 * 6(Urea) and Ca
 (Re O4)2 * 5(Urea). Synthesis and characterization of urea adducts from
 the systems M (Re O4)2 - Urea - (H2 O), M = Ca, Sr, Ba, Pb and Cd
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              309
_journal_page_last               316
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C6 H24 Cd N12 O14 Re2'
_chemical_name_systematic        '(Cd (Re O4)2) (C O (N H2)2)6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.03
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.772
_cell_length_b                   7.625
_cell_length_c                   15.095
_cell_volume                     1216.947
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Petrova_ZEKRDZ_2000_809.cif
_cod_data_source_block           C6H24Cd1N12O14Re2
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'C6 H24 Cd1 N12 O14 Re2'
_cod_database_code               8103620
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
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
N1 N-3 0.0761 0.2581 0.824 1 0.0
C2 C+4 0.2679 0.8389 -0.0394 1 0.0
C1 C+4 0.0322 0.351 0.8853 1 0.0
O2 O-2 -0.0451 0.3416 0.3073 1 0.0
N6 N-3 0.7584 0.7723 0.7564 1 0.0
O3 O-2 0.8936 0.1418 0.4483 1 0.0
Re1 Re+7 -0.07826 0.13353 0.34098 1 0.0
O5 O-2 0.0054 0.2836 -0.0444 1 0.0
C3 C+4 0.7895 0.8336 0.842 1 0.0
O6 O-2 0.1808 -0.048 -0.0556 1 0.0
N4 N-3 0.3738 0.8579 -0.0726 1 0.0
Cd1 Cd+2 0 0 0.5 1 0.0
N2 N-3 0.0126 0.5212 0.8704 1 0.0
N3 N-3 0.2583 0.6953 0.0094 1 0.0
N5 N-3 0.721 0.7818 -0.0996 1 0.0
O4 O-2 0.7941 0.0462 0.2701 1 0.0
O1 O-2 0.0492 0.0011 0.3391 1 0.0
O7 O-2 0.8827 -0.0654 0.8618 1 0.0
