#------------------------------------------------------------------------------ #$Date: 2009-11-11 20:41:08 +0200 (Wed, 11 Nov 2009) $ #$Revision: 840 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2017345.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_2017345_Fobs loop_ _publ_author_name 'Gotoh, Kazuma' 'Ishida, Hiroyuki' _publ_section_title ; Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid ; _journal_coeditor_code GD3308 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o534 _journal_page_last o538 _journal_volume 65 _journal_year 2009 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 88.959 _cell_angle_beta 80.348 _cell_angle_gamma 78.671 _cell_length_a 7.9684 _cell_length_b 8.6178 _cell_length_c 11.1202 _exptl_crystal_F_000 340.00 _reflns_d_resolution_high 0.7111 _[local]_cod_data_source_file gd3308IIIsup4.hkl _[local]_cod_data_source_block III #BEGIN Tags that were not found in dictionaries: _shelx_title ' 08030509' _shelx_refln_list_code 4 _shelx_f_calc_maximum 147.29 _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 2 0 0 502.06 567.28 6.56 o 3 0 0 0.17 1.24 0.82 o 4 0 0 138.46 147.92 1.22 o 5 0 0 1.26 1.57 0.41 o 6 0 0 48.03 47.40 0.63 o 7 0 0 1.83 1.46 0.36 o 8 0 0 58.83 59.78 1.08 o 9 0 0 8.49 10.66 0.95 o 10 0 0 1.84 1.17 0.55 o -10 1 0 131.93 141.98 1.86 o -9 1 0 85.18 84.66 1.80 o -8 1 0 4.63 3.60 0.54 o -7 1 0 158.11 153.81 1.56 o -6 1 0 0.68 0.87 0.36 o -5 1 0 250.94 229.14 1.81 o -4 1 0 280.28 280.74 1.98 o -3 1 0 42.24 38.25 0.44 o -2 1 0 9.89 9.03 0.21 o -1 1 0 897.43 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