#------------------------------------------------------------------------------
#$Date: 2016-09-16 14:55:27 +0300 (Fri, 16 Sep 2016) $
#$Revision: 186592 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/92/1539296.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_1539296
loop_
_publ_author_name
'Tanito, Yoshimichi'
'Saito, Yoshihiko'
'Kuroya, Hisao'
_publ_section_title
;
 The Crystal Structure of Chlorodinitro-triammine-cobalt. III.
;
_journal_issue                   8
_journal_name_full               'Bulletin of the Chemical Society of Japan'
_journal_page_first              420
_journal_page_last               424
_journal_paper_doi               10.1246/bcsj.26.420
_journal_volume                  26
_journal_year                    1953
_chemical_formula_sum            'Cl Co H9 N5 O4'
_chemical_name_systematic        'Co (N H3)3 (N O2)2 Cl'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.87
_cell_length_b                   9.87
_cell_length_c                   16.51
_cell_volume                     1608.353
_citation_journal_id_ASTM        BCSJA8
_cod_data_source_file            Tanito_BCSJA8_1953_984.cif
_cod_data_source_block           H9Cl1Co1N5O4
_cod_original_sg_symbol_Hall     '-I 4ad (x,y+1/4,z+1/8)'
_cod_original_formula_sum        'H9 Cl1 Co1 N5 O4'
_cod_database_code               1539296
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x+1/2,z+1/4
-x+1/2,-y+1/2,z+1/2
y+1/2,-x,z+3/4
-x,-y+1/2,-z+1/4
y,-x,-z
x-1/2,y,-z-1/4
-y-1/2,x+1/2,-z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1,z+3/4
-x+1,-y+1,z+1
y+1,-x+1/2,z+5/4
-x+1/2,-y+1,-z+3/4
y+1/2,-x+1/2,-z+1/2
x,y+1/2,-z+1/4
-y,x+1,-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 0.187 0.075 0.267 1 0.0 0
Cl1 Cl-1 0 0 0.128 1 0.0 0
O2 O-2 0.275 0.015 0.23 1 0.0 0
Co1 Co+3 0 0 0.267 1 0.0 0
O1 O-2 0.215 0.18 0.304 1 0.0 0
N2 N-3 0.077 -0.186 0.267 1 0.0 3
N1 N-3 0 0 0.382 1 0.0 3
