#
# Saulius Gra\<zulis
#

data_hexabromoethane



_journal_name_full      'Rec. trav. chim.'
_journal_volume         61
_journal_page_first     253
_journal_year           1942


_chemical_formula_sum   'C2 Br6'
_chemical_name_systematic
;Hexabromoethane
;

_cell_length_a          12.00
_cell_length_b          10.64
_cell_length_c          6.69
_cell_angle_alpha       90
_cell_angle_beta        90
_cell_angle_gamma       90


_symmetry_space_group_name_H-M  'Pnma'
_symmetry_Int_Tables_number     62
_cell_formula_units_Z           4

_[local]_cod_depositor_comments
;
Kitajgorodskij [1] does not give atom coordinates.
;
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
C	C	1.52(3)
C	Br	1.93(3)


loop_
_geom_angle
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
110(2)	C	C	Br


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'
