#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/13/2011332.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_2011332_Fobs loop_ _publ_author_name 'Elmali, Ayhan' 'Kavlakoglu, Ebru' 'Elerman, Yalcundefined\?in' 'Svoboda, Ingrid' _publ_section_title ; A complex containing both five- and six-coordinate [bis(5-bromosalicylidene)benzene-1,2-diimine]chloroiron(III) ; _journal_issue 9 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1097 _journal_page_last 1099 _journal_volume 56 _journal_year 2000 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 76.442 _cell_angle_beta 71.301 _cell_angle_gamma 75.160 _cell_length_a 11.6230 _cell_length_b 13.4260 _cell_length_c 15.1560 _exptl_crystal_F_000 1188.00 _reflns_d_resolution_high 0.8263 _[local]_cod_data_source_file gs1097Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Ay49' _shelx_refln_list_code 4 _shelx_f_calc_maximum 672.88 _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' 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 1 0 0 3058.50 3054.03 325.40 o 2 0 0 7074.52 7082.60 753.22 o 3 0 0 1182.63 1143.04 121.62 o 4 0 0 207.34 226.90 13.55 o 5 0 0 879.69 851.70 90.61 o 6 0 0 371.15 352.21 37.37 o 7 0 0 4457.09 4209.03 447.30 o 8 0 0 45.45 56.00 3.36 o 9 0 0 1958.71 1760.30 186.86 o 10 0 0 103.13 119.71 7.26 o 11 0 0 508.78 443.00 47.32 o 12 0 0 19.01 16.72 1.23 o 13 0 0 0.42 0.36 0.03 o -12 1 0 10.40 7.75 0.60 o -11 1 0 176.36 190.14 11.51 o -10 1 0 778.71 671.22 71.56 o -9 1 0 20.82 19.17 1.50 o -8 1 0 730.95 670.67 71.53 o -7 1 0 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