#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/26/2202658.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_2202658_Fobs loop_ _publ_author_name 'Beck, Johannes' 'Steden, Folker' _publ_section_title ; Redetermination of Te~6~[AsF~6~]~4~·2SO~2~ at 125K ; _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i158 _journal_page_last i160 _journal_volume 59 _journal_year 2003 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 106.915 _cell_angle_beta 93.830 _cell_angle_gamma 119.716 _cell_length_a 9.9163 _cell_length_b 10.5932 _cell_length_c 16.3749 _exptl_crystal_F_000 1448.00 _reflns_d_resolution_high 0.7698 _[local]_cod_data_source_file hb6000Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' st23sc in P 1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 525.03 _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 87013.71 79040.83 1179.21 o 3 0 0 3685.44 3479.90 61.91 o 4 0 0 858.62 857.72 39.72 o 5 0 0 368.82 349.11 18.69 o 6 0 0 10459.06 10625.15 131.96 o 7 0 0 739.06 809.68 17.74 o 8 0 0 2824.65 2931.80 43.49 o 9 0 0 8.02 47.75 19.62 o 10 0 0 113.39 111.76 33.01 o -11 1 0 316.36 261.60 40.47 o -10 1 0 9398.80 8988.26 331.74 o -9 1 0 501.79 525.69 38.55 o -8 1 0 18.48 55.01 11.96 o -7 1 0 14277.00 14531.84 189.95 o -6 1 0 2959.67 3102.56 67.75 o -5 1 0 37487.59 36787.11 450.53 o -4 1 0 23918.29 24524.15 320.65 o -3 1 0 76148.58 68199.60 987.03 o 2 1 0 1119.26 1096.60 18.24 o 3 1 0 33474.39 33776.47 386.98 o 4 1 0 7262.99 7279.74 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849.51 77.10 o -8 10 0 131.16 182.02 22.78 o -7 10 0 1140.36 1155.65 48.48 o -6 10 0 3301.99 3134.92 46.89 o -5 10 0 24349.93 24244.34 355.82 o -4 10 0 4602.16 4588.22 69.88 o -3 10 0 5591.17 5454.06 108.60 o -2 10 0 5680.04 5887.58 631.36 o -1 10 0 4430.91 4289.30 124.99 o 0 10 0 3223.14 3325.61 116.81 o 1 10 0 4298.88 4464.52 171.71 o -11 11 0 139.38 143.40 29.82 o -10 11 0 70.46 149.34 24.97 o -9 11 0 1944.35 1927.27 97.54 o -8 11 0 1457.91 1462.08 48.48 o -7 11 0 343.18 335.06 20.44 o -6 11 0 2930.26 2893.08 56.00 o -5 11 0 8.90 42.56 25.70 o -4 11 0 110.40 140.08 14.66 o -3 11 0 30256.55 30085.70 675.21 o -2 11 0 4390.11 4409.62 126.16 o -1 11 0 3702.09 3913.17 132.00 o 0 11 0 4071.28 3992.60 263.99 o -10 12 0 474.20 354.34 115.64 o -9 12 0 2435.16 2430.38 249.98 o -8 12 0 1623.23 1617.55 96.37 o -7 12 0 5.79 23.15 36.80 o -6 12 0 20669.88 20654.87 1369.61 o -5 12 0 446.80 359.83 29.48 o -4 12 0 60.43 110.43 53.94 o -3 12 0 7759.89 7814.72 457.32 o -2 12 0 18.86 127.32 101.63 o -8 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