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#$Date: 2015-07-10 13:36:11 +0300 (Fri, 10 Jul 2015) $
#$Revision: 141855 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/16/1521642.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_1521642
loop_
_publ_author_name
'Mullica, D.F.'
'Farmer, J.M.'
'Kautz, J.A.'
_publ_section_title
;
 X-ray crystallographic investigations and characterizations of three
 mixed anionic hexacyano complexes
;
_journal_name_full               'Journal of Coordination Chemistry'
_journal_page_first              449
_journal_page_last               457
_journal_volume                  48
_journal_year                    1999
_chemical_formula_sum            'C4 H8.666 Co1.333 Ir0.333 N4 O4.333'
_chemical_name_systematic        'Co (Co0.333 Ir0.333 (C N)4) (H2 O)4.333'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.396
_cell_length_b                   10.396
_cell_length_c                   10.396
_cell_volume                     1123.567
_citation_journal_id_ASTM        JCCMBQ
_cod_data_source_file            Mullica_JCCMBQ_1999_63.cif
_cod_data_source_block           C4H8.666Co1.333Ir0.333N4O4.333
_cod_database_code               1521642
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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 0.2958 0 0.667 0.0
O1 O-2 0 0.288 0 0.333 0.0
Co2 Co+3 0 0 0 0.333 0.0
O2 O-2 0 0 0 0.333 0.0
Ir1 Ir+3 0 0 0 0.333 0.0
O4 O-2 0.25 0.25 0.25 0.333 0.0
Co1 Co+2 0 0.5 0 1 0.0
O3 O-2 0.1914 0.1914 0.1914 0.167 0.0
C1 C+2 0 0.1852 0 0.667 0.0
