#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/21/2102126.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_2102126_Fobs loop_ _publ_author_name 'Britton, Doyle' 'Noland, Wayland E.' 'Pinnow, Matthew J.' _publ_section_title ; Isomorphism and pseudosymmetry in 2,6-dichloro- and 2,6-dibromobenzonitrile ; _journal_issue 5 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 822 _journal_page_last 827 _journal_volume 56 _journal_year 2000 _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _exptl_crystal_F_000 976.00 _[local]_cod_data_source_file bk0072Br2sup3.hkl _[local]_cod_data_source_block Br2 #BEGIN Tags that were not found in dictionaries: _shelx_title ' new in C2/m' _shelx_refln_list_code 4 _shelx_f_calc_maximum 690.94 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 54073.32 57823.42 1757.53 o 4 0 0 2826.71 3896.87 427.04 o 6 0 0 4256.76 4163.00 152.24 o 8 0 0 129163.03 139227.56 4211.28 o 10 0 0 82040.53 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