#------------------------------------------------------------------------------
#$Date: 2024-06-05 16:01:20 +0200 (Wed 05 de Jun de 2024) $
#$Revision: 292204 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/50/9015081.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9015081
loop_
_publ_author_name
'Burns, D. M.'
'Iball, J.'
_publ_section_title
;
 The crystal and molecular structure of fluorene
 Note: Positions of hydrogen atoms were not given
;
_journal_name_full
'Proceedings of the Royal Society of London A'
_journal_page_first              200
_journal_page_last               214
_journal_paper_doi               10.1098/rspa.1955.0004
_journal_volume                  227
_journal_year                    1955
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C13 H10'
_chemical_name_mineral           Kratochvilite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.49
_cell_length_b                   5.721
_cell_length_c                   18.97
_cell_formula_units_Z            4
_cell_volume                     921.397
_database_code_amcsd             0018397
_exptl_crystal_density_diffrn    1.126
_cod_depositor_comments
;

2024-06-04
Formula fixed to account for H atoms
                 miguel
;
_cod_original_formula_sum            C13
_cod_database_code               9015081
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
C1 0.64200 0.56600 0.21100 0
C2 0.57300 0.72400 0.16300 1
C3 0.59300 0.67600 0.09100 1
C4 0.67900 0.48400 0.06800 1
C5 0.75000 0.33500 0.11400 1
C6 0.73300 0.37300 0.18900 0
C7 0.79600 0.25000 0.25000 2
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018397
