#------------------------------------------------------------------------------
#$Date: 2023-03-26 10:09:57 +0200 (Sun 26 de Mar de 2023) $
#$Revision: 282068 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/77/9007708.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_9007708
loop_
_publ_author_name
'Gerkin, R. E.'
'Lundstedt, A. P.'
'Reppart, W. J.'
_publ_section_title
;
 Structure of fluorene, C₁₃H₁₀, at 159 K
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1892
_journal_page_last               1894
_journal_paper_doi               10.1107/S0108270184009963
_journal_volume                  40
_journal_year                    1984
_chemical_compound_source        synthetic
_chemical_formula_sum            'C13 H10'
_chemical_name_mineral           Kratochvilite
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.365(3)
_cell_length_b                   18.745(4)
_cell_length_c                   5.654(2)
_cell_volume                     886.558
_database_code_amcsd             0009998
_diffrn_ambient_temperature      159
_exptl_crystal_density_diffrn    1.245
_cod_database_code               9007708
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
C1 0.73270 0.31265 0.62350 0.02900
C2 0.75110 0.38492 0.66760 0.03730
C3 0.68050 0.43326 0.51470 0.04230
C4 0.59320 0.41020 0.32100 0.04140
C5 0.57470 0.33783 0.27490 0.03560
C6 0.64520 0.28925 0.42770 0.02700
C7 0.79710 0.25000 0.75970 0.03310
H2 0.81400 0.40080 0.80820 0.04730
H3 0.69000 0.48530 0.54810 0.04810
H4 0.54440 0.44580 0.21420 0.05390
H5 0.51480 0.32140 0.13960 0.04110
H7A 0.91780 0.25000 0.76510 0.05110
H7B 0.76140 0.25000 0.93480 0.04850
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009998
