#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/39/2013928.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_2013928_Fobs loop_ _publ_author_name 'Vembu, Nagarajan' 'Nallu, Maruthai' 'Durmus, Semih' 'Panzner, Matthew' 'Garrison, Jered' 'Youngs, Wiley J.' _publ_section_title ; Layer architecture in 4-nitrophenyl and 4-chlorophenyl 3-nitrobenzenesulfonate at 100K ; _journal_issue 4 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o248 _journal_page_last o251 _journal_volume 60 _journal_year 2004 _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 94.597 _cell_angle_gamma 90.000 _cell_length_a 7.8914 _cell_length_b 8.7979 _cell_length_c 18.8293 _exptl_crystal_F_000 664.00 _reflns_d_resolution_high 0.7492 _[local]_cod_data_source_file bm1553Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' SD in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 238.53 _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 0 0 -24 46.72 32.48 52.20 o 2 0 -24 531.42 532.74 84.84 o -1 1 -24 33.55 117.98 53.69 o 1 1 -24 115.73 110.50 37.86 o 0 2 -24 67.61 109.37 53.52 o 2 2 -24 29.72 38.11 51.37 o 1 3 -24 62.82 91.97 53.03 o -3 1 -23 87.19 144.33 60.48 o -1 1 -23 134.43 189.14 45.58 o 1 1 -23 371.48 396.91 53.69 o 3 1 -23 489.08 397.26 51.31 o 0 2 -23 14.91 69.59 33.74 o 2 2 -23 196.14 192.06 45.86 o 1 3 -23 55.56 83.63 37.49 o 3 3 -23 173.27 134.55 54.19 o -4 0 -22 277.39 390.07 80.04 o -2 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