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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/89/1528947.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_1528947
loop_
_publ_author_name
'Tuna, F.'
'Golhen, S.'
'Ouahab, L.'
'Sutter, J.P.'
_publ_section_title
;
 Crystal structure and magnetic properties of [{Co (H2 O)2}2 Mo (C N)8].4
 H2 O, a three-dimensional cyanide-bridged bimetallic compound
;
_journal_name_full               'Comptes Rendus Chimie'
_journal_page_first              377
_journal_page_last               383
_journal_volume                  6
_journal_year                    2003
_chemical_formula_sum            'C8 H16 Co2 Mo N8 O8'
_chemical_name_systematic        '((Co (H2 O)2)2 Mo (C N)8) (H2 O)4'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.7306
_cell_length_b                   11.7306
_cell_length_c                   13.0372
_cell_volume                     1794.010
_citation_journal_id_ASTM        CRCOCR
_cod_data_source_file            Tuna_CRCOCR_2003_1201.cif
_cod_data_source_block           C8H16Co2Mo1N8O8
_cod_original_cell_volume        1794.01
_cod_original_formula_sum        'C8 H16 Co2 Mo1 N8 O8'
_cod_database_code               1528947
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+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
O2 O-2 0.454 0.1058 0.5 1 0.0
C1 C+2 0.1454 0.05093 0.34069 1 0.0
Co1 Co+2 0.30005 0.19433 0.5 1 0.0
O1 O-2 0.1483 0.2919 0.5 1 0.0
O3 O-2 0.1164 0.4053 0.6934 1 0.0
Mo1 Mo+4 0 0 0.25014 1 0.0
N1 N-3 0.22013 0.08699 0.38844 1 0.0
N2 N-3 0.3716 0.29973 0.61368 1 0.0
C2 C+2 0.4204 0.3675 0.6599 1 0.0
