#------------------------------------------------------------------------------
#$Date: 2025-08-20 11:41:31 +0200 (Wed, 20 Aug 2025) $
#$Revision: 301828 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/4/03/15/4031568.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_4031568
loop_
_publ_author_name
'Lerner, H.W.'
'Bolte, M.'
'Wiberg, N.'
_publ_section_title
;
 Silatetrazoline: Eigenschaften und Strukturen cyclischer thermostabiler
 Tetrazenderivate
;
_journal_name_full               'Journal of Organometallic Chemistry'
_journal_page_first              246
_journal_page_last               251
_journal_volume                  649
_journal_year                    2002
_chemical_formula_sum            'H4 N4'
_chemical_name_systematic        '(N H4) N3'
_space_group_IT_number           53
_symmetry_space_group_name_Hall  '-P 2ac 2'
_symmetry_space_group_name_H-M   'P m n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.917
_cell_length_b                   3.7761
_cell_length_c                   8.639
_cell_volume                     290.888
_citation_journal_id_ASTM        JORCAI
_cod_data_source_file            Lerner_JORCAI_2002_450.cif
_cod_data_source_block           H4N4
_cod_original_cell_volume        290.8879
_cod_database_code               4031568
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x,-y,-z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x,y,z
x-1/2,-y,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
N2 N 0.1322 0 0 1 0.0
N5 N-3 0.25 0.5449 0.25 1 0.0
N4 N 0.5 0.1101 0.12767 1 0.0
N1 N 0 0 0 1 0.0
H1 H+1 0.2855 0.67 0.3275 1 0.0
N3 N 0.5 0 0 1 0.0
H2 H+1 0.3254 0.4 0.2131 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 159190229
