#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/05/2010543.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_2010543_Fobs loop_ _publ_author_name 'Ramos Silva, M.' 'Paix\~ao, J. A.' 'Matos Beja, A.' 'Alte da Veiga, L.' _publ_section_title ; Very short F---H···F hydrogen bond in L-argininium fluoride hydrogen fluoride ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 104 _journal_page_last 106 _journal_volume 56 _journal_year 2000 _space_group_IT_number 1 _symmetry_space_group_name_Hall 'P 1' _symmetry_space_group_name_H-M 'P 1' _cell_angle_alpha 87.878 _cell_angle_beta 74.948 _cell_angle_gamma 86.653 _cell_length_a 5.1813 _cell_length_b 9.2173 _cell_length_c 10.6278 _exptl_crystal_F_000 228.00 _reflns_d_resolution_high 0.7704 _[local]_cod_data_source_file ln1087Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' L-argininium fluoride hydrogen fluoride' _shelx_refln_list_code 4 _shelx_f_calc_maximum 94.95 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _refln_index_h _refln_index_k _refln_index_l 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12 1.96 3.47 0.88 o 1 -2 12 15.17 16.58 0.84 o 2 -2 12 9.66 11.18 0.81 o 3 -2 12 7.19 8.17 0.91 o 4 -2 12 5.67 0.00 2.70 o -1 -1 12 6.84 8.31 1.05 o 0 -1 12 13.35 11.99 0.88 o 1 -1 12 52.39 52.25 1.05 o 2 -1 12 33.83 37.11 0.98 o 3 -1 12 1.04 -0.53 1.51 o 4 -1 12 19.26 22.81 1.19 o -1 0 12 16.82 17.91 1.12 o 0 0 12 2.48 -0.70 1.54 o 1 0 12 8.68 7.39 0.77 o 2 0 12 7.31 8.94 0.77 o 3 0 12 1.93 0.42 1.58 o 4 0 12 16.92 18.68 1.09 o -1 1 12 26.89 25.44 1.19 o 0 1 12 4.18 4.28 0.77 o 1 1 12 8.07 7.71 0.77 o 2 1 12 0.73 1.05 0.74 o 4 1 12 0.86 -2.45 2.45 o -1 2 12 5.42 2.49 2.63 o 4 2 12 19.01 17.77 1.16 o -1 3 12 12.18 13.07 1.09 o 0 3 12 30.52 31.82 1.12 o 3 3 12 16.83 16.58 1.05 o 4 3 12 6.14 5.43 1.02 o 0 4 12 7.01 8.66 0.98 o 1 4 12 0.94 1.86 2.03 o 2 4 12 0.44 0.67 0.88 o 3 4 12 4.92 5.96 1.02 o 4 4 12 34.93 41.00 1.33 o 0 5 12 2.09 0.11 2.49 o 1 5 12 66.52 70.23 1.51 o 2 5 12 0.69 -0.60 2.28 o 3 5 12 2.10 2.80 0.98 o 1 6 12 0.86 0.11 2.35 o 2 6 12 1.62 1.93 2.17 o 0 2 13 16.82 18.99 1.16 o 1 2 13 15.76 18.19 1.16 o 2 2 13 11.99 14.54 1.05 o 3 2 13 6.64 7.46 1.02 o 1 3 13 3.11 2.21 2.38 o 2 3 13 47.14 51.13 1.37 o 3 3 13 3.43 1.93 2.52 o 1 4 13 24.15 28.46 1.23 o 2 4 13 7.99 8.31 1.05 o