#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/86/1528652.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_1528652
loop_
_publ_author_name
'Krott, M.'
'Liu Xiaohui'
'Mueller, P.'
'Dronskowski, R.'
_publ_section_title
;
 Synthesis and structure determination of Co (H N C N)2 and Ni (H N C N)2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              307
_journal_page_last               312
_journal_volume                  180
_journal_year                    2007
_chemical_formula_sum            'C2 H2 Co N4'
_chemical_name_systematic        'Co (H N C N)2'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.572
_cell_length_b                   8.805
_cell_length_c                   3.267
_cell_volume                     189.050
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Krott_JSSCBI_2007_1236.cif
_cod_data_source_block           C2H2Co1N4
_cod_original_cell_volume        189.0497
_cod_original_formula_sum        'C2 H2 Co1 N4'
_cod_database_code               1528652
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z-1/2
x-1/2,-y-1/2,z-1/2
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 0.294 0.525 0 1 0.0
N2 N-3 0.091 0.769 0 1 0.0
Co1 Co+2 0 0 0 1 0.0
C1 C+4 0.816 0.349 0 1 0.0
