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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/4/34/38/4343870.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_4343870
loop_
_publ_author_name
'Lefebvre, J.'
'Tyagi, P.'
'Leznoff, D.B.'
'Trudel, S.'
'Kaiser, C.'
'Pacradouni, V.'
'Sonier, J.E.'
_publ_section_title
;
 Magnetic frustration and spin disorder in isostructural M(mu-O H2)2 [Au
 (C N)2]2 (M = Mn, Fe, Co) coordination polymers containing double
 aqua-bridged chains: SQUID and mueSR studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              55
_journal_page_last               67
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C4 H4 Au2 Fe N4 O2'
_chemical_name_systematic        'Fe (O H2)2 (Au (C N)2)2'
_space_group_IT_number           10
_symmetry_space_group_name_Hall  '-P 2y'
_symmetry_space_group_name_H-M   'P 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.68
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.43
_cell_length_b                   20.67
_cell_length_c                   3.47
_cell_volume                     461.159
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Lefebvre_INOCAJ_2009_1652.cif
_cod_data_source_block           C4H4Au2Fe1N4O2
_cod_original_cell_volume        461.1586
_cod_original_formula_sum        'C4 H4 Au2 Fe1 N4 O2'
_cod_database_code               4343870
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
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 0.0972 0 1 0.0
Au2 Au+1 0.5 0.251 0.5 1 0.0
C2 C+2 0 0.6524 0 1 0.0
C1 C+2 0 0.8475 0 1 0.0
N4 N-3 0.5 0.5972 0.5 1 0.0
Fe2 Fe+2 0.5 0.5 0.5 1 0.0
C4 C+2 0.5 0.6524 0.5 1 0.0
Au1 Au+1 0 0.2456 0 1 0.0
Fe1 Fe+2 0 0 0 1 0.0
O1 O-2 0.2193 0 0.5 1 0.0
N2 N-3 0 0.5972 0 1 0.0
O2 O-2 0.7193 0.5 0 1 0.0
N3 N-3 0.5 0.0972 0.5 1 0.0
C3 C+2 0.5 0.1525 0.5 1 0.0
