#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/72/1527247.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_1527247
loop_
_publ_author_name
'Clayton, W.'
'Meyers, E.'
_publ_section_title
;
 Diammonium diamminecopper(II) chloride, Cl4 Cu H14 N4
;
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              61
_journal_page_last               62
_journal_volume                  5
_journal_year                    1976
_chemical_formula_sum            'Cl Cu0.25 H3.5 N'
_chemical_name_systematic        '((N H4)2 (Cu (N H3)2) Cl4)0.25'
_space_group_IT_number           200
_symmetry_space_group_name_Hall  '-P 2 2 3'
_symmetry_space_group_name_H-M   'P m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.91
_cell_length_b                   3.91
_cell_length_c                   3.91
_cell_volume                     59.776
_citation_journal_id_ASTM        CSCMCS
_cod_data_source_file            Clayton_CSCMCS_1976_650.cif
_cod_data_source_block           H3.5Cl1Cu0.25N1
_cod_original_cell_volume        59.77647
_cod_original_formula_sum        'H3.5 Cl1 Cu0.25 N1'
_cod_database_code               1527247
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
z,x,y
-z,-x,y
z,-x,-y
-z,x,-y
y,z,x
y,-z,-x
-y,z,-x
-y,-z,x
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
-z,-x,-y
z,x,-y
-z,x,y
z,-x,y
-y,-z,-x
-y,z,x
y,-z,x
y,z,-x
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
H1 H+1 0.34 0.34 0.34 0.4375 0.0
Cu1 Cu+2 0 0.5 0.5 0.083 0.0
N1 N-3 0.5 0.5 0.5 1 0.0
Cl1 Cl-1 0 0 0 1 0.0
