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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/4/34/36/4343685.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_4343685
loop_
_publ_author_name
'Raymond, K.N.'
'Meek, D.W.'
'Ibers, J.A.'
_publ_section_title
;
 The structure of hexaamminechromium(III) pentachlorocuprate(II), (Cr (N
 H3)6) (Cu Cl5)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1111
_journal_page_last               1117
_journal_volume                  7
_journal_year                    1968
_chemical_formula_sum            'Cl5 Cr Cu H18 N6'
_chemical_name_systematic        '(Cr (N H3)6) (Cu Cl5)'
_space_group_IT_number           228
_symmetry_space_group_name_Hall  '-F 4ud 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   22.24
_cell_length_b                   22.24
_cell_length_c                   22.24
_cell_volume                     11000.295
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Raymond_INOCAJ_1968_1125.cif
_cod_data_source_block           H18Cl5Cr1Cu1N6
_cod_original_cell_volume        11000.29
_cod_original_formula_sum        'H18 Cl5 Cr1 Cu1 N6'
_cod_database_code               4343685
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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
Cu1 Cu+2 0.25 0.25 0.25 1 0.0
H2 H+1 0.082 0.041 -0.059 1 0.0
Cl2 Cl-1 0.25 0.07603 -0.07603 1 0.0
Cl1 Cl-1 0.19039 0.19039 0.19039 1 0.0
H1 H+1 0.062 0.085 -0.038 1 0.0
H3 H+1 0.095 0.05 -0.012 1 0.0
Cr1 Cr+3 0 0 0 1 0.0
N1 N-3 0.07113 0.05139 -0.03026 1 0.0
