#------------------------------------------------------------------------------ #$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35913 $ #$URL: file:///home/coder/svn-repositories/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 Note: T = 159 K Locality: synthetic ; _journal_name_full 'Acta Crystallographica, Section C' _journal_page_first 1892 _journal_page_last 1894 _journal_volume 40 _journal_year 1984 _chemical_formula_sum 'C13 H10' _chemical_name_mineral Kratochvilite _space_group_IT_number 62 _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_length_a 8.365 _cell_length_b 18.745 _cell_length_c 5.654 _cell_volume 886.558 _diffrn_ambient_temperature 159 _exptl_crystal_density_diffrn 1.245 _cod_database_code 9007708 _amcsd_database_code AMCSD#0009768 loop_ _symmetry_equiv_pos_as_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