#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/17/2011741.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_2011741_Fobs loop_ _publ_author_name 'Sato, Kiyoshi' 'Arai, Sadao' 'Yamagishi, Takamichi' 'Tanase, Tomoaki' _publ_section_title ; Quinolizinium hexafluorophosphate ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 174 _journal_page_last 175 _journal_volume 57 _journal_year 2001 _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _[local]_cod_data_source_file bj1008Isup2.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 0 0 1 1005.72 46.36 975.54 o 1 1 0 365.36 16.90 342.20 o 1 1 -1 4781.98 220.94 5010.02 o 0 2 0 7147.38 329.91 7187.54 o 2 0 -1 3707.20 170.69 3824.66 o 2 0 0 5411.09 249.10 5386.63 o 0 2 1 614.69 28.42 691.43 o 1 1 1 9936.89 458.57 9730.59 o 1 1 -2 1979.32 91.23 2099.76 o 2 0 -2 310.45 14.46 345.10 o 2 2 -1 1267.67 58.49 1324.22 o 0 0 2 273.62 12.76 301.85 o 2 2 0 1823.62 84.08 1854.73 o 1 3 0 2084.46 96.08 2200.16 o 1 3 -1 95.20 4.60 92.46 o 2 0 1 10417.65 481.12 9565.12 o 3 1 -1 8.73 0.83 5.83 o 2 2 -2 229.59 10.78 269.35 o 0 2 2 124.81 5.97 112.49 o 1 3 1 139.02 6.62 116.46 o 3 1 -2 1251.46 57.79 1206.94 o 3 1 0 163.25 7.75 179.23 o 1 1 2 237.44 11.15 214.28 o 2 2 1 35.45 1.96 23.04 o 0 4 0 1403.24 64.78 1292.59 o 1 3 -2 1512.99 69.84 1507.95 o 2 0 -3 1152.99 53.28 1172.31 o 0 4 1 33.69 1.88 29.65 o 1 1 -3 2950.66 136.00 3106.02 o 3 3 -1 2695.32 124.26 2732.97 o 4 0 -1 229.64 10.83 198.06 o 4 0 -2 1056.86 48.88 1005.28 o 2 4 -1 154.14 7.38 170.61 o 0 0 3 1362.81 62.96 1357.83 o 3 1 -3 255.38 12.03 242.70 o 2 2 -3 298.56 14.01 243.27 o 2 4 0 1189.61 55.00 1247.75 o 3 1 1 176.62 8.41 173.66 o 2 0 2 12.12 1.04 12.25 o 3 3 -2 286.62 13.46 240.49 o 3 3 0 3539.64 163.12 3522.62 o 1 3 2 31.60 1.84 19.36 o 4 2 -1 41.24 2.32 42.66 o 4 0 0 110.33 5.39 103.03 o 4 2 -2 579.79 26.96 535.03 o 2 4 -2 139.27 6.72 139.93 o 0 2 3 17.83 1.32 22.19 o 0 4 2 612.45 28.46 565.07 o 2 2 2 3.07 0.46 0.56 o 4 0 -3 377.18 17.66 334.25 o 1 5 0 1254.79 58.02 1206.40 o 1 3 -3 120.19 5.87 124.71 o 1 5 -1 21.06 1.44 12.24 o 2 4 1 3132.82 144.44 3072.14 o 4 2 0 658.27 30.59 690.54 o 1 1 3 12.25 1.10 10.98 o 3 3 -3 753.34 34.97 732.28 o 3 3 1 328.83 15.44 335.03 o 4 2 -3 53.88 2.90 34.73 o 1 5 1 170.80 8.20 130.80 o 2 0 -4 3394.77 156.51 3362.26 o 5 1 -2 395.41 18.53 367.20 o 1 5 -2 815.82 37.86 815.47 o 3 1 -4 1601.74 74.02 1652.54 o 4 0 1 541.48 25.24 482.84 o 5 1 -1 684.25 31.81 693.51 o 2 4 -3 430.87 20.16 381.23 o 1 1 -4 1372.13 63.46 1445.18 o 3 1 2 2915.00 134.45 2717.62 o 2 2 -4 1799.65 83.14 1793.03 o 0 6 0 43.52 2.47 58.19 o 3 5 -1 1573.04 72.72 1553.18 o 5 1 -3 429.06 20.09 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26.15 o 0 10 4 156.52 8.28 156.51 o 5 9 -5 5.19 1.10 3.49 o 7 7 1 2.76 0.94 0.90 o 8 2 2 18.87 2.05 19.34 o 3 3 6 18.74 1.66 21.49 o 1 11 -3 97.16 5.57 104.98 o 1 3 7 53.22 3.56 47.83 o 9 1 -7 106.67 5.94 104.67 o 5 1 5 28.72 2.53 27.26 o 7 3 3 10.55 1.12 8.47 o 4 4 -8 45.01 3.29 41.12 o 3 11 -3 125.88 6.85 122.70 o 10 0 -6 126.69 6.85 129.42 o 8 6 -6 19.41 1.83 21.93 o 3 11 1 24.54 2.12 17.65 o 10 4 -3 113.90 6.29 111.20 o 1 1 -8 4.41 1.09 6.87 o 6 6 3 113.96 6.31 111.41 o 10 4 -4 9.69 1.20 9.28 o 9 1 1 25.24 2.37 31.75 o 7 9 -2 82.03 4.86 77.59 o 7 9 -3 32.39 2.73 31.86 o 0 12 0 79.36 4.77 70.02 o 10 2 -1 52.50 3.58 54.33 o 8 8 -3 144.43 7.71 126.91 o 6 10 -2 93.52 5.47 92.25 o 5 9 2 135.31 7.35 135.48 o 3 7 -7 13.76 1.47 10.91 o 7 3 -8 18.88 1.81 20.42 o 10 2 -6 108.99 6.09 98.84 o 6 4 -8 219.53 11.20 220.08 o 8 8 -2 142.95 7.72 144.26 o 2 0 7 49.93 3.46 47.25 o 2 8 5 123.42 6.72 127.73 o 1 7 6 25.14 2.25 23.17 o 8 0 -8 71.80 4.47 66.45 o 10 4 -2 5.71 1.12 5.28 o 5 7 -7 15.62 1.45 14.50 o 3 7 5 37.13 2.91 34.04 o 7 9 -1 163.65 8.64 151.71 o 6 10 -3 38.38 3.20 38.75 o 9 3 -7 45.59 3.29 34.65 o 10 4 -5 7.01 1.16 6.21 o 2 6 6 52.31 3.60 47.50 o 6 10 -1 47.15 3.32 42.62 o 8 8 -4 63.91 4.24 62.63 o 5 3 5 5.35 0.99 4.56 o 6 8 2 99.14 5.71 95.55 o 7 9 -4 219.73 11.15 196.86 o 2 4 -8 8.62 1.22 7.31 o 1 11 3 41.58 3.34 40.38 o 6 4 4 3.33 0.94 4.02 o 2 12 -1 40.56 3.19 34.76 o 2 10 -5 77.52 4.72 78.21 o 9 5 0 115.75 6.45 115.67 o 4 0 6 64.39 4.15 65.41 o 8 6 1 231.41 11.75 233.94 o 2 12 0 100.52 5.80 102.78 o 2 2 7 40.00 3.23 39.55 o 1 3 -8 166.06 8.72 166.11 o 8 4 2 50.63 3.55 48.54 o 8 2 -8 166.06 8.74 145.13 o 5 5 -8 35.17 3.11 30.51 o 9 3 1 127.20 6.95 130.90 o 9 7 -3 18.41 1.81 17.43 o 3 9 -6 142.39 7.69 138.09 o 4 10 -5 137.65 7.48 137.34 o 8 8 -1 194.51 10.05 183.75 o 3 5 -8 32.15 2.77 32.34 o 5 11 -2 3.83 0.94 0.67 o 3 9 4 51.81 3.55 48.68 o 9 7 -4 86.94 5.30 92.52 o 0 0 8 326.27 16.09 326.68 o 0 6 7 26.18 2.58 25.21 o 2 12 -2 16.67 1.44 16.88 o 4 8 4 99.91 5.70 94.22 o 4 6 5 20.27 2.21 18.89 o 3 11 -4 42.36 3.24 36.30 o 11 1 -4 21.37 1.82 21.31 o 11 1 -4 21.37 1.82 21.31 o