#------------------------------------------------------------------------------ #$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $ #$Revision: 691 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2220881.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_2220881_Fobs loop_ _publ_author_name 'Chantrapromma, Suchada' 'Jansrisewangwong, Patcharaporn' 'Musor, Rusmeenee' 'Fun, Hoong-Kun' _publ_section_title ; (E)-4-[4-(Dimethylamino)styryl]-1-methylpyridinium 4-bromobenzenesulfonate ; _journal_coeditor_code PK2136 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o217 _journal_page_last o218 _journal_volume 65 _journal_year 2009 _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 92.442 _cell_angle_gamma 90.000 _cell_length_a 10.3712 _cell_length_b 10.9937 _cell_length_c 17.9027 _exptl_crystal_F_000 976.00 _reflns_d_resolution_high 0.6196 _[local]_cod_data_source_file pk2136Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' pr24brg_0m in Cc (100K)' _shelx_refln_list_code 4 _shelx_F_calc_maximum 418.89 _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 _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status -3 1 -28 14.54 91.97 161.03 o -1 1 -28 35.51 404.20 165.15 o 1 1 -28 4.78 -8.23 149.94 o 3 1 -28 19.15 -43.30 148.33 o -2 2 -28 47.09 101.63 162.64 o 0 2 -28 31.11 113.62 154.95 o 2 2 -28 217.10 142.43 152.27 o 4 2 -28 255.35 249.42 153.52 o -1 3 -28 99.30 284.67 166.58 o 1 3 -28 298.98 321.89 161.75 o 3 3 -28 7.10 -77.65 147.97 o 0 4 -28 143.66 395.79 166.94 o 2 4 -28 0.91 32.21 147.79 o -5 1 -27 21.41 195.21 154.41 o -3 1 -27 130.05 268.57 157.28 o -1 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