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#$Date: 2025-08-21 13:10:50 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301844 $
#$URL: file:///home/coder/svn-repositories/cod/cif/5/00/01/5000144.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_5000144
loop_
_publ_author_name
'Choi, C. S.'
_publ_section_title
;
 Refinement of 2-nitroguanidine by neutron powder diffraction
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1955
_journal_page_last               1957
_journal_paper_doi               10.1107/S0567740881007735
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'C H4 N4 O2'
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   17.6152(5)
_cell_length_b                   24.8502(7)
_cell_length_c                   3.5880(1)
_cod_original_formula_sum        'C1 H4 N4 O2'
_cod_database_code               5000144
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 x,1/2+y,1/2+z
3 1/2+x,y,1/2+z
4 1/2+x,1/2+y,z
5 1/4-x,1/4+y,1/4+z
6 1/4-x,3/4+y,3/4+z
7 3/4-x,1/4+y,3/4+z
8 3/4-x,3/4+y,1/4+z
9 1/4+x,1/4-y,1/4+z
10 1/4+x,3/4-y,3/4+z
11 3/4+x,1/4-y,3/4+z
12 3/4+x,3/4-y,1/4+z
13 1/2-x,-y,1/2+z
14 1/2-x,1/2-y,z
15 -x,-y,z
16 -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
C1 C 0.19910 0.11820 0.14860
N1 N 0.25730 0.09350 0.00000
N2 N 0.19420 0.17150 0.13350
N3 N 0.13650 0.09640 0.31090
N4 N 0.13020 0.04220 0.33700
O1 O 0.17840 0.01050 0.19810
O2 O 0.07420 0.02420 0.49730
H1 H 0.25940 0.05490 0.00700
H2 H 0.29740 0.11710 -0.09600
H3 H 0.23450 0.19340 0.00800
H4 H 0.15210 0.18990 0.24400
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
N 0.68
O 0.68
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 11174
