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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/1/52/16/1521643.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_1521643
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 Cr0.333 Ir0.333 N4 O4.333 Pd'
_chemical_name_systematic        'Pd (Cr0.333 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                   10.455
_cell_length_b                   10.455
_cell_length_c                   10.455
_cell_volume                     1142.805
_citation_journal_id_ASTM        JCCMBQ
_cod_data_source_file            Mullica_JCCMBQ_1999_64.cif
_cod_data_source_block           C4H8.666Cr0.333Ir0.333N4O4.333Pd1
_cod_original_formula_sum        'C4 H8.666 Cr0.333 Ir0.333 N4 O4.333 Pd1'
_cod_database_code               1521643
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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
O4 O-2 0.25 0.25 0.25 0.333 0.0
Cr1 Cr+3 0 0 0 0.333 0.0
C1 C+2 0 0.1909 0 0.667 0.0
N1 N-3 0 0.3007 0 0.667 0.0
Pd1 Pd+2 0 0.5 0 1 0.0
Ir1 Ir+3 0 0 0 0.333 0.0
O1 O-2 0 0.2856 0 0.333 0.0
O3 O-2 0.1913 0.1913 0.1913 0.167 0.0
O2 O-2 0 0 0 0.333 0.0
