#------------------------------------------------------------------------------
#$Date: 2016-11-29 14:52:50 +0100 (mar 29 de nov de 2016) $
#$Revision: 188742 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/73/2107355.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107355
loop_
_publ_author_name
'Bertinotti, C.'
'Bertinotti, B.'
_publ_section_title
;
 Structure cristalline du complex a valence mixte Au(III)
 iodocyanure-Au(I) cyanure (1:4) de potassium dihydrate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2635
_journal_page_last               2639
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'C10 H4 Au5 I2 K5 N10 O2'
_chemical_name_systematic        'K5 (Au5 (C N)10 I2) (H2 O)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.27
_cell_angle_beta                 99.91
_cell_angle_gamma                92.46
_cell_formula_units_Z            1
_cell_length_a                   11.592
_cell_length_b                   7.309
_cell_length_c                   9.825
_cell_volume                     759.104
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bertinotti_ACBCAR_1972_553.cif
_cod_data_source_block           C10H4Au5I2K5N10O2
_cod_original_cell_volume        759.1044
_cod_database_code               2107355
loop_
_symmetry_equiv_pos_as_xyz
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
_atom_site_attached_hydrogens
N3 N-3 0.4033 -0.1476 -0.3462 1 0.0 0
C1 C+2 0.0082 -0.159 -0.2111 1 0.0 0
O1 O-2 0.4984 0.3048 0.3603 1 0.0 2
Au2 Au+1 0 0.5 0 1 0.0 0
C4 C+2 0.2858 0.2973 0.1963 1 0.0 0
N5 N-3 0.2152 0.2222 -0.3509 1 0.0 0
I1 I-1 0.3518 -0.2798 0.001 1 0.0 0
Au4 Au+1 0.24738 0.26083 -0.01879 1 0.0 0
Au1 Au+1 0 0 0 1 0.0 0
C2 C+2 0.0867 -0.3501 0.209 1 0.0 0
C3 C+2 0.442 -0.0921 -0.2197 1 0.0 0
N1 N-3 0.009 -0.2489 -0.3312 1 0.0 0
N2 N-3 0.1353 -0.2644 0.329 1 0.0 0
K2 K+1 0.3441 0.0088 0.4146 1 0.0 0
N4 N-3 0.3109 0.327 0.3184 1 0.0 0
Au3 Au+1 0.5 0 0 1 0.0 0
C5 C+2 0.224 0.2294 -0.2322 1 0.0 0
K1 K+1 0 0 0.5 1 0.0 0
K3 K+1 0.1957 -0.4534 -0.4544 1 0.0 0
