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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/03/2310369.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_2310369
loop_
_publ_author_name
'Cromer, D.T.'
'Roof, R.B.jr.'
'Larson, A.C.'
_publ_section_title
;
 The Crystal Structure of the Copper(I) Cyanide Hydrazine Complex, Cu C N
 (N2 H4)
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              279
_journal_page_last               282
_journal_volume                  20
_journal_year                    1966
_chemical_formula_sum            'C H4 Cu N3'
_chemical_name_systematic        'Cu C N (N2 H4)'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.684
_cell_length_b                   9.172
_cell_length_c                   7.83
_cell_volume                     336.390
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Cromer_ACCRA9_1966_1104.cif
_cod_data_source_block           C1H4Cu1N3
_cod_original_cell_volume        336.3897
_cod_original_formula_sum        'C1 H4 Cu1 N3'
_cod_database_code               2310369
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y-1/2,z
x,-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
Cu1 Cu+1 0.2243 0.3465 0.25 1 0.0
N2 N-2 0.5215 0.3232 0.0398 1 0.0
C1 C+2 0.0319 0.5328 0.25 1 0.0
N1 N-3 0.0658 0.1499 0.25 1 0.0
