#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/37/2213757.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_2213757_Fobs loop_ _publ_author_name 'Sun, Zhi-Hua' 'Yu, Wen-Tao' 'Fan, Jian-Dong' 'Xu, Dong' 'Wang, Xin-Qiang' _publ_section_title ; L-Argininium(+) maleate({-}) dihydrate ; _journal_coeditor_code ER2026 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o2805 _journal_page_last o2807 _journal_volume 63 _journal_year 2007 _space_group_IT_number 1 _symmetry_space_group_name_Hall 'P 1' _symmetry_space_group_name_H-M 'P 1' _cell_angle_alpha 106.155 _cell_angle_beta 97.265 _cell_angle_gamma 101.649 _cell_length_a 5.2710 _cell_length_b 8.0480 _cell_length_c 9.7940 _exptl_crystal_F_000 172.00 _reflns_d_resolution_high 0.7669 _[local]_cod_data_source_file er2026Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' sunzhihua04 in P1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 66.22 _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 _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 1 0 0 118.36 121.61 1.24 o 2 0 0 91.79 95.65 0.68 o 3 0 0 214.67 238.42 1.88 o 4 0 0 17.95 16.90 0.46 o 5 0 0 12.46 12.12 0.89 o 6 0 0 1.96 2.09 0.24 o -6 1 0 0.97 1.03 0.19 o -5 1 0 68.03 64.39 0.93 o -4 1 0 41.53 47.07 0.57 o -3 1 0 51.08 57.26 0.63 o -2 1 0 203.83 219.87 1.30 o -1 1 0 23.97 19.83 0.28 o 2 1 0 369.46 378.82 2.84 o 3 1 0 62.84 70.85 0.81 o 4 1 0 12.41 12.61 0.37 o 5 1 0 31.37 31.27 0.65 o 6 1 0 6.62 8.38 0.60 o -6 2 0 0.04 0.17 0.14 o -5 2 0 44.43 44.25 0.62 o -4 2 0 96.64 98.67 0.97 o -3 2 0 53.61 63.46 0.56 o -2 2 0 3.92 3.75 0.18 o -1 2 0 4014.61 3449.75 32.56 o 0 2 0 447.44 455.78 4.38 o 1 2 0 167.74 170.50 1.92 o 2 2 0 507.77 563.38 3.82 o 3 2 0 5.03 3.37 0.39 o 4 2 0 36.92 36.07 1.08 o 5 2 0 55.82 57.72 1.09 o 6 2 0 2.56 2.98 0.44 o -6 3 0 13.79 14.46 0.49 o -5 3 0 46.94 49.17 0.80 o -4 3 0 47.88 41.36 0.66 o -3 3 0 39.21 43.00 0.44 o -2 3 0 17.38 17.91 0.26 o -1 3 0 583.80 627.17 4.14 o 0 3 0 600.08 646.78 5.17 o 1 3 0 223.53 254.05 1.57 o 2 3 0 183.82 200.84 2.23 o 3 3 0 7.69 9.95 0.32 o 4 3 0 14.37 13.71 0.95 o 5 3 0 7.89 10.59 0.63 o -6 4 0 5.45 5.70 0.45 o -5 4 0 18.50 17.66 0.48 o -4 4 0 8.89 7.35 0.30 o -3 4 0 96.92 90.12 0.66 o -2 4 0 514.32 524.56 2.54 o -1 4 0 161.78 147.12 0.93 o 0 4 0 37.96 40.62 0.44 o 1 4 0 174.92 170.16 1.20 o 2 4 0 17.30 19.93 0.42 o 3 4 0 14.28 14.69 0.40 o 4 4 0 4.24 3.42 0.39 o 5 4 0 5.95 6.44 0.56 o -6 5 0 2.23 2.10 0.20 o -5 5 0 0.70 0.65 0.15 o -4 5 0 63.76 61.15 0.72 o -3 5 0 17.22 20.31 0.38 o -2 5 0 0.57 0.42 0.08 o -1 5 0 23.12 27.81 0.34 o 0 5 0 92.14 92.33 0.80 o 1 5 0 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