#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9007708.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_9007708 _chemical_name 'Kratochvilite' loop_ _publ_author_name 'Gerkin R E' 'Lundstedt A P' 'Reppart W J' _journal_name_full "Acta Crystallographica, Section C" _journal_volume 40 _journal_year 1984 _journal_page_first 1892 _journal_page_last 1894 _publ_section_title ; Structure of fluorene, C13H10, at 159 K Note: T = 159 K Locality: synthetic ; _chemical_formula_sum 'C13 H10' _cell_length_a 8.365 _cell_length_b 18.745 _cell_length_c 5.654 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 886.558 _symmetry_space_group_name_H-M 'P n m a' 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_Uiso_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