#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2016175.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_2016175_Fobs loop_ _publ_author_name 'Pospieszna-Markiewicz, Izabela' 'Koz\/lowski, Micha\/l' 'Radecka-Paryzek, Wanda' 'Kubicki, Maciej' _publ_section_title ; N,N'-Bis(2-hydroxybenzylidene)pentane-1,5-diamine ; _journal_coeditor_code SQ3092 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o559 _journal_page_last o561 _journal_volume 63 _journal_year 2007 _space_group_IT_number 7 _symmetry_space_group_name_Hall 'P -2yc' _symmetry_space_group_name_H-M 'P 1 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 101.418 _cell_angle_gamma 90.000 _cell_length_a 16.3631 _cell_length_b 5.6428 _cell_length_c 9.1251 _exptl_crystal_F_000 332.00 _reflns_d_resolution_high 0.7532 _[local]_cod_data_source_file sq3092Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' iza20_lt in Pc' _shelx_refln_list_code 3 _shelx_f_calc_maximum 120.78 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y, z+1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_meas _refln_F_sigma _refln_A_calc _refln_B_calc 3 0 0 15.8468 0.0663 16.0170 -0.3214 4 0 0 11.6779 0.0542 9.2602 -8.0136 5 0 0 30.9770 1.7532 -5.9139 -27.5552 6 0 0 9.9551 0.1786 -10.6377 1.5936 7 0 0 24.3685 0.2411 -20.7779 11.0830 8 0 0 14.9450 0.1365 1.4273 14.2824 9 0 0 24.4153 0.1427 -21.6224 -7.2647 10 0 0 18.3627 0.0899 -17.5221 2.8962 11 0 0 4.7565 0.1965 2.6182 -4.2091 12 0 0 1.5268 0.5527 1.0796 1.7030 13 0 0 4.8579 0.2277 4.5328 1.0782 14 0 0 8.5973 0.1995 -5.2166 7.4003 15 0 0 2.0004 0.6592 -0.3620 1.3035 16 0 0 17.2714 0.2715 -16.1827 3.2591 17 0 0 7.4863 0.3188 0.0977 -6.6738 18 0 0 3.8661 0.7790 2.6544 1.6370 19 0 0 4.1581 0.7656 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