#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2207673.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_2207673_Fobs loop_ _publ_author_name 'Gotoh, Kazuma' 'Ishikawa, Rie' 'Ishida, Hiroyuki' _publ_section_title ; Trimethylammonium tetrafluoroborate at 100K ; _journal_coeditor_code TK6280 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o4016 _journal_page_last o4017 _journal_volume 61 _journal_year 2005 _space_group_IT_number 11 _symmetry_space_group_name_Hall '-P 2yb' _symmetry_space_group_name_H-M 'P 1 21/m 1' _[local]_cod_data_source_file tk6280Isup2.hkl _[local]_cod_data_source_block I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma _refln_F_squared_calc _refln_observed_status 1 0 0 4823.30 0.41 3661.71 o 2 0 0 23577.60 4.37 21890.66 o 3 0 0 12483.59 2.37 12295.24 o 4 0 0 358.34 1.14 270.98 o 5 0 0 835.79 0.88 889.71 o 6 0 0 3892.51 1.14 3921.15 o 7 0 0 923.55 4.04 761.17 o 1 1 0 5679.13 0.69 6379.32 o 2 1 0 36952.37 7.08 36111.49 o 3 1 0 34180.61 6.76 32835.95 o 4 1 0 1253.87 1.08 1199.57 o 5 1 0 408.44 1.21 377.31 o 6 1 0 1311.89 1.17 1236.33 o 7 1 0 -2.99 169.00 2.10 o 0 2 0 96366.78 28.94 112902.58 o 1 2 0 2813.24 0.77 2504.26 o 2 2 0 632.52 0.52 583.96 o 3 2 0 10401.96 2.10 10003.88 o 4 2 0 2262.90 0.83 2161.04 o 5 2 0 57.30 6.76 120.92 o 6 2 0 65.45 9.00 110.99 o 7 2 0 850.89 3.24 714.67 o 1 3 0 57946.12 13.62 60904.85 o 2 3 0 9656.99 1.44 9419.93 o 3 3 0 3841.52 1.51 3725.74 o 4 3 0 241.49 1.32 215.61 o 5 3 0 2297.28 1.12 2399.93 o 6 3 0 1418.28 1.37 1364.52 o 7 3 0 34.93 12.60 37.50 o 0 4 0 1000.46 0.45 1132.13 o 1 4 0 2710.24 1.23 2464.88 o 2 4 0 4081.93 0.62 4232.20 o 3 4 0 5403.72 1.17 5047.72 o 4 4 0 4462.24 1.37 4457.88 o 5 4 0 33.29 6.97 29.87 o 6 4 0 646.68 1.99 513.06 o 7 4 0 826.56 2.69 786.81 o 1 5 0 14397.60 2.89 13232.40 o 2 5 0 2525.06 1.28 2477.97 o 3 5 0 134.10 1.54 131.27 o 4 5 0 266.02 2.25 279.72 o 5 5 0 260.50 1.66 364.63 o 6 5 0 727.92 1.42 764.81 o 0 6 0 43743.72 10.30 41129.57 o 1 6 0 8.29 7.56 9.99 o 2 6 0 969.70 0.59 1114.47 o 3 6 0 3456.26 0.86 3349.89 o 4 6 0 388.09 1.30 546.40 o 5 6 0 4.16 45.02 0.21 o 6 6 0 493.28 1.99 522.05 o 1 7 0 54.02 2.37 51.51 o 2 7 0 2969.16 0.74 3022.91 o 3 7 0 6567.48 1.39 6368.81 o 4 7 0 3.84 26.42 0.00 o 5 7 0 317.20 1.32 304.47 o 6 7 0 117.72 4.28 237.40 o 0 8 0 25584.00 5.20 23477.16 o 1 8 0 384.94 0.86 318.41 o 2 8 0 729.54 0.59 862.43 o 3 8 0 1258.12 0.67 1176.87 o 4 8 0 -0.69 219.93 5.01 o 5 8 0 76.91 5.90 59.35 o 1 9 0 1062.76 0.58 1092.60 o 2 9 0 1942.16 0.74 2016.61 o 3 9 0 13.25 6.20 46.00 o 4 9 0 38.94 7.24 54.39 o 0 10 0 301.72 0.88 288.60 o 1 10 0 33.18 3.17 39.13 o 2 10 0 396.81 1.42 435.68 o 3 10 0 435.97 1.74 516.05 o 4 10 0 137.83 3.46 183.99 o 1 11 0 1655.68 0.74 1672.00 o 2 11 0 267.00 1.06 281.92 o -7 0 1 19.36 22.85 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189.06 2.89 247.66 o -4 3 9 500.42 1.82 507.11 o -3 3 9 2045.75 0.79 1704.46 o -2 3 9 72.76 9.18 48.72 o -1 3 9 26.94 32.60 2.50 o 0 3 9 543.36 1.21 475.02 o 1 3 9 228.31 1.85 243.53 o -4 4 9 83.36 10.69 126.78 o -3 4 9 1833.55 2.13 1514.35 o -2 4 9 259.53 2.31 245.59 o -1 4 9 468.72 1.39 525.06 o 0 4 9 629.51 3.76 457.95 o 1 4 9 87.98 7.08 81.38 o -3 5 9 1174.43 1.99 978.23 o -2 5 9 26.42 10.56 9.99 o -1 5 9 10.18 58.52 14.59 o 0 5 9 4.20 70.06 10.41 o -2 6 9 817.96 1.56 574.45 o -3 0 10 50.69 1.88 27.75 o -2 0 10 16.00 11.42 5.01 o -1 0 10 1761.48 2.99 1798.14 o 0 0 10 97.02 2.66 64.53 o -3 1 10 16.56 15.92 10.84 o -2 1 10 522.58 1.04 446.75 o -1 1 10 1004.26 1.10 1032.51 o 0 1 10 26.42 5.66 72.15 o -3 2 10 108.99 3.53 110.99 o -2 2 10 169.00 6.20 151.61 o -1 2 10 540.56 1.00 510.08 o 0 2 10 -18.75 32.49 29.87 o -2 3 10 247.75 742.02 2335.85 o -1 3 10 52.42 8.76 66.66 o