#------------------------------------------------------------------------------
#$Date: 2017-08-04 14:51:35 +0200 (vie 04 de ago de 2017) $
#$Revision: 199518 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/32/2103216.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2103216
loop_
_publ_author_name
'Marsh, Richard E.'
'Kapon, Moshe'
'Hu, Shengzhi'
'Herbstein, Frank H.'
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'C18 H16'
_chemical_name_systematic
cis-transoid-cis-Cyclobuta(1,2-a;3,4-a')di-indene
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 97.60
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.162
_cell_length_b                   6.320
_cell_length_c                   13.647
_cell_volume                     612.289
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_55S
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-04

 Adding the _cell_formula_units_Z data item after consulting the original
 publication.

 Antanas Vaitkus,
 2017-08-04
;
_cod_original_sg_symbol_H-M      'P21/n   '
_cod_original_formula_sum        ' C18 H16 '
_cod_database_code               2103216
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
C1 .4091 .0815 .0482 1
C2 .3932 -.1230 -.0170 1
C5 .0008 .1839 -.1501 1
C6 -.0668 .0555 -.2296 1
C7 .0121 -.1380 -.2412 1
C8 .1615 -.2080 -.1752 1
C9 .2314 -.0816 -.0958 0
C10 .1514 .1168 -.0835 0
C17 .2464 .2284 .0062 2
loop_
_atom_type_symbol
C
