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#
# Saulius Gra\<zulis
#
data_ethylnitramine
_journal_name_full Nature
_journal_volume 160
_journal_page_first 826
_journal_year 1947
_chemical_formula_sum 'C2 H6 N2 O2'
_chemical_name_systematic
;Ethylnitramine
;
_cell_length_a 6.13
_cell_length_b 6.48
_cell_length_c 6.08
_cell_angle_alpha 90
_cell_angle_beta 114.55
_cell_angle_gamma 90
_symmetry_space_group_name_H-M 'P 21 /m'
_symmetry_Int_Tables_number 11
_cell_formula_units_Z 2
#
#'Kitaigorodsky' gives alternative symmetry space
#group name H-M - 'P 21'(_symmetry_Int_Tables_number
# 4).
#
#'Kitaigorodsky' doesn't give co-ordinates.
#
#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
_[local]_cod_depositor_comments
;
Kitajgorodskij [1] does not give atom coordinates.
Kitajgorodskij [1] suggests in a footnote that the choice of the
spacegroup is not well justified, and that another possibility --
symmetry space group name H-M - 'P 21'(_symmetry_Int_Tables_number 4)
-- exists.
Saulius Gra\<zulis
2009.04.25
;
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
O N 1.25(5)
N N 1.26(5)
N C 1.46(5)
loop_
_citation_id
_citation_coordinate_linkage
_citation_title
_citation_book_title
_citation_country
_citation_page_first
_citation_page_last
_citation_year
_citation_book_publisher
_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 Gra\<zulis
;
loop_
_citation_author_citation_id
_citation_author_name
1 'A. I. Kitajgorodskij'
|
