#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/5/00/01/5000162.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_5000162
loop_
_publ_author_name
'Kay, M. I.'
'Katz, L.'
_publ_section_title
;
 A refinement of the crystal structure of ketene dimer
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica'
_journal_page_first              897
_journal_page_last               898
_journal_paper_doi               10.1107/S0365110X58002565
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'C4 H4 O2'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.8(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.0(2)
_cell_length_b                   20.67(6)
_cell_length_c                   5.11(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               5000162
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 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 0.30490 0.05990 0.16520
C2 C 0.50320 0.10620 0.28840
C3 C 0.84090 0.16500 0.52230
C4 C 0.63990 0.17380 0.24120
O1 O 0.72110 0.10330 0.55650
O2 O 1.05840 0.19200 0.69010
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
O 0.68
