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#$Date: 2016-12-28 16:25:28 +0200 (Wed, 28 Dec 2016) $
#$Revision: 189486 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/05/2310538.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_2310538
loop_
_publ_author_name
'Bryden, J. H.'
_publ_section_title
;
 The Crystal Structure of the Hydrazine Salt of 5-Aminotetrazol
;
_journal_issue                   1
_journal_paper_doi               10.1107/S0365110X58000062
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              31
_journal_page_last               37
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'C H7 N7'
_chemical_name_systematic        'N2 H5 C N5 H2'
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.64
_cell_length_b                   9.67
_cell_length_c                   3.86
_cell_volume                     509.129
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Bryden_ACCRA9_1958_252.cif
_cod_data_source_block           C1H7N7
_cod_original_cell_volume        509.1294
_cod_original_formula_sum        'C1 H7 N7'
_cod_database_code               2310538
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2016-12-28
;
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-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
C1 C+4 0.3611 0.2674 0.462 1 0.0 0
N1 N-2 0.4223 0.1616 0.445 1 0.0 0
N2 N 0.3686 0.0554 0.576 1 0.0 0
N3 N 0.2811 0.0987 0.657 1 0.0 0
N4 N-2 0.2745 0.2344 0.583 1 0.0 0
N5 N-3 0.389 0.3996 0.349 1 0.0 2
N6 N-2 0.1016 0.3256 0.963 1 0.0 3
N7 N-2 0.0806 0.1854 0.057 1 0.0 2
