#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/72/2217210.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_2217210_Fobs loop_ _publ_author_name 'Pospieszna, Izabela' 'Radecka-Paryzek, Wanda' 'Kubicki, Maciej' _publ_section_title ; Bis(pyridinium) trans-tetrachloridodioxidouranate(VI) dioxane solvate ; _journal_coeditor_code NC2081 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m239 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 63.569 _cell_angle_beta 67.076 _cell_angle_gamma 81.956 _cell_length_a 7.7662 _cell_length_b 8.6660 _cell_length_c 9.2025 _exptl_crystal_F_000 310.00 _reflns_d_resolution_high 0.8410 _[local]_cod_data_source_file nc2081Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' wrp15a in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 147.17 _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' 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 2 0 0 541.49 474.29 335.23 o 3 0 0 1792.44 2048.34 256.06 o 4 0 0 2617.11 2502.72 290.23 o 5 0 0 2194.43 2101.24 752.06 o 6 0 0 2501.55 2423.63 1492.57 o 8 0 0 494.09 574.06 472.28 o -5 1 0 3371.46 2380.62 468.25 o -4 1 0 7036.89 4706.44 535.62 o -3 1 0 2395.79 2146.45 148.24 o -2 1 0 1084.13 926.40 107.92 o -1 1 0 8216.20 7662.56 79.58 o 0 1 0 4559.65 3599.21 795.60 o 1 1 0 8779.17 8833.05 131.62 o 2 1 0 3117.60 3709.31 474.45 o 3 1 0 76.00 241.41 129.00 o 4 1 0 1195.10 1029.38 162.07 o 5 1 0 4135.94 4374.15 334.87 o 6 1 0 1411.77 1265.29 252.49 o 7 1 0 1113.25 991.40 401.65 o 8 1 0 224.10 543.04 449.66 o -5 2 0 447.52 41.45 405.67 o -4 2 0 5383.05 4702.60 222.86 o -3 2 0 11278.83 10055.42 297.89 o -2 2 0 1985.64 1736.10 159.89 o -1 2 0 934.12 799.80 104.28 o 0 2 0 2281.10 2517.21 410.99 o 2 2 0 4833.96 4513.46 290.60 o 3 2 0 5310.47 5072.90 459.20 o 4 2 0 1952.43 1827.41 186.99 o 5 2 0 1883.76 1962.40 230.07 o 6 2 0 1682.69 1851.65 251.67 o 7 2 0 245.61 308.42 288.99 o 8 2 0 281.01 761.90 409.21 o -8 3 0 1320.03 1659.80 602.39 o -5 3 0 918.96 669.95 407.65 o -4 3 0 3934.26 3349.03 277.32 o -3 3 0 8355.36 7884.56 250.75 o -2 3 0 11927.50 11450.41 278.46 o -1 3 0 1354.49 1380.72 101.82 o 0 3 0 576.96 642.78 146.00 o 1 3 0 3314.93 3485.33 87.91 o 2 3 0 8400.34 8962.56 203.48 o 3 3 0 3551.60 3496.83 372.62 o 4 3 0 3091.18 3327.64 426.10 o 5 3 0 1661.17 1451.14 225.37 o 6 3 0 816.96 1247.44 373.02 o 7 3 0 259.77 395.45 305.91 o -7 4 0 2410.58 3264.06 659.86 o -6 4 0 2381.42 2481.37 374.32 o -5 4 0 700.60 856.56 326.45 o -4 4 0 673.97 899.28 274.30 o -3 4 0 3073.08 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