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#$Date: 2021-05-03 14:41:16 +0200 (lun 03 de may de 2021) $
#$Revision: 264769 $
#$URL: svn://www.crystallography.net/cod/cif/5/90/00/5900014.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_5900014
loop_
_publ_author_name
'Llewellyn, F. J.'
'Whitmore, F. E.'
_publ_section_title
;
 The crystal structure of s-bisnitroaminoethane (ethylene dinitroamine)
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              1316
_journal_page_last               1323
_journal_paper_doi               10.1039/JR9480001316
_journal_year                    1948
_chemical_formula_sum            'C2 H6 N4 O4'
_chemical_name_systematic        N,N'-Dinitroethanediamine
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.67
_cell_length_b                   8.67
_cell_length_c                   6.16
_cod_data_source_file            015_dinitroethanediamine.cif
_cod_data_source_block           dinitroethanediamine
_cod_depositor_comments
;
 Added the _citation_author_ordinal data item to the CITATION_AUTHOR loop
 and updated the _citation_author_name data item value.

 Antanas Vaitkus,
 2021-05-03
;
_cod_database_code               5900014
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C C 8 c 0.035 0.005 0.107
N1 N1 8 c 0.165 0.028 0.074
N2 N2 8 c 0.215 0.167 0.043
O1 O1 8 c 0.327 0.173 0.014
O2 O2 8 c 0.146 0.278 0.057
loop_
_citation_author_citation_id
_citation_author_ordinal
_citation_author_name
1 1 'Kitajgorodskij, A. I.'
loop_
_citation_id
_citation_coordinate_linkage
_citation_title
_citation_book_title
_citation_country
_citation_page_first
_citation_page_last
_citation_year
_citation_book_publisher
_cod_citation_special_details
1 yes ? 'Organicheskaja Kristallokhimija' USSR ? ? 1955
'Izdatel'stvo Akademii Nauk SSSR'
;

Coordinates are presented as published in this book, Kitajgorodskij's
"Organicheskaja Kristallokhimija", keyed in manually.

Saulius Gražulis
;
loop_
_geom_angle
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
125.35 O2 N2 O1
117.30 O1 N2 N1
118.15 N1 N2 O2
123.15 N2 N1 C
111.43 N1 C C
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C C 1.52(2)
C N 1.41(2)
N N 1.33(2)
O N 1.21(2)
