#------------------------------------------------------------------------------ #$Date: 2016-04-03 04:44:38 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181190 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/69/2226976.hkl $ #------------------------------------------------------------------------------ # # 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_2226976_Fobs loop_ _publ_author_name 'Sauer, Anne M.' 'Mack, Art G.' 'Elnagar, Hassan Y.' 'Fronczek, Frank R.' _publ_section_title ; Ethyl 2-(2,3,4,5,6-Pentabromophenyl)acetate ; _journal_coeditor_code JJ2038 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o1994 _journal_volume 66 _journal_year 2010 _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 90.993 _cell_angle_gamma 90.000 _cell_length_a 4.6136 _cell_length_b 22.5480 _cell_length_c 13.1950 _exptl_crystal_F_000 1032.00 _reflns_d_resolution_high 0.7105 _cod_data_source_file jj2038Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' ASauer9' _shelx_refln_list_code 4 _shelx_f_calc_maximum 471.23 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z+1/2' loop_ _refln_index_h _refln_index_k _refln_index_l 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