#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/17/2211746.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_2211746_Fobs loop_ _publ_author_name 'Ejsmont, Krzysztof' _publ_section_title ; Diethylammonium hydrogen oxalate ; _journal_coeditor_code BT2217 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o107 _journal_page_last o109 _journal_volume 63 _journal_year 2007 _space_group_IT_number 13 _symmetry_space_group_name_Hall '-P 2yc' _symmetry_space_group_name_H-M 'P 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 121.544 _cell_angle_gamma 90.000 _cell_length_a 7.0527 _cell_length_b 5.5465 _cell_length_c 14.0317 _exptl_crystal_F_000 176.00 _reflns_d_resolution_high 0.8255 _[local]_cod_data_source_file bt2217Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 38 in P2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 75.25 _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, -y, -z' 'x, -y, 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 1 0 0 5662.60 5290.17 14.65 o 2 0 0 3021.49 2872.95 12.26 o 3 0 0 765.05 752.98 1.20 o 4 0 0 275.74 255.51 1.09 o 5 0 0 183.87 201.11 2.12 o 6 0 0 7.70 7.35 0.45 o 7 0 0 1.53 1.69 0.44 o 0 1 0 61.89 61.90 0.61 o 1 1 0 182.20 181.60 1.03 o 2 1 0 626.44 574.09 2.66 o 3 1 0 217.11 228.53 1.03 o 4 1 0 1.98 1.75 0.19 o 5 1 0 0.01 0.01 0.15 o 6 1 0 0.76 0.59 0.25 o 7 1 0 1.25 0.98 0.30 o 0 2 0 1357.15 1351.08 1.44 o 1 2 0 333.64 335.41 0.93 o 2 2 0 682.68 661.04 3.41 o 3 2 0 204.17 199.18 1.39 o 4 2 0 19.25 23.08 0.57 o 5 2 0 14.93 15.28 0.64 o 6 2 0 0.22 0.24 0.22 o 0 3 0 99.77 83.37 0.34 o 1 3 0 60.26 55.80 0.21 o 2 3 0 61.00 64.94 1.22 o 3 3 0 31.93 30.16 0.46 o 4 3 0 0.77 0.75 0.21 o 5 3 0 0.99 1.01 0.25 o 6 3 0 0.54 0.49 0.25 o 0 4 0 105.25 99.93 0.94 o 1 4 0 83.16 89.75 0.85 o 2 4 0 7.94 6.79 0.24 o 3 4 0 4.12 4.35 0.36 o 4 4 0 9.35 9.77 0.40 o 5 4 0 3.08 2.97 0.30 o 0 5 0 74.20 74.93 0.91 o 1 5 0 89.61 89.60 1.43 o 2 5 0 82.90 91.07 1.36 o 3 5 0 38.61 41.09 1.24 o 4 5 0 10.30 9.80 0.42 o 0 6 0 4.33 3.34 0.53 o 1 6 0 5.17 6.75 0.33 o 2 6 0 3.45 4.59 0.37 o 3 6 0 1.56 2.44 0.37 o -7 1 1 0.01 -0.13 0.18 o -6 1 1 1.03 0.56 0.17 o -5 1 1 37.93 33.72 1.02 o -4 1 1 0.11 0.13 0.15 o -3 1 1 33.71 31.52 0.31 o -2 1 1 9.87 10.87 0.15 o -1 1 1 31.22 24.71 0.36 o 0 1 1 1176.40 982.34 11.60 o 1 1 1 277.98 290.46 2.40 o 2 1 1 21.89 17.78 0.22 o 3 1 1 18.03 16.16 0.38 o 4 1 1 6.65 6.53 0.23 o 5 1 1 7.77 9.58 0.34 o 6 1 1 0.67 0.90 0.33 o -7 2 1 0.14 0.04 0.10 o -6 2 1 0.39 0.55 0.25 o -5 2 1 8.65 8.32 0.24 o -4 2 1 12.70 15.74 0.35 o -3 2 1 10.41 10.04 0.19 o -2 2 1 28.50 26.01 0.28 o -1 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