#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:21:17 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180779 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/10/2011032.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_2011032_Fobs loop_ _publ_author_name 'Kani, Yoshiyuki' 'Ohba, Shigeru' 'Ito, Sayo' 'Nishida, Yuzo' _publ_section_title ; Four copper(II) complexes with potentially tetradentate tripodal ligands ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first e233 _journal_page_last e235 _journal_volume 56 _journal_year 2000 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cod_data_source_file qa0275IVsup5.hkl _cod_data_source_block IV 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 1 1 14934.69 1595.52 16417.64 o 1 1 0 754.32 90.26 972.19 o 1 1 -1 7678.20 743.06 7280.53 o 0 2 0 14298.96 1409.90 13934.19 o 1 1 1 22012.71 2177.69 21586.30 o 0 2 1 117.66 10.41 72.12 o 0 0 2 15511.31 1500.99 14678.07 o 1 2 0 2998.36 278.95 2668.64 o 1 0 -2 16952.01 1611.49 15613.71 o 1 2 -1 53210.09 5297.28 52774.86 o 0 1 2 9076.20 860.62 8332.14 o 1 1 -2 290.85 36.76 394.86 o 2 0 0 27053.11 2725.43 27268.36 o 2 1 -1 1265.25 136.33 1404.17 o 1 2 1 4204.34 390.88 3741.82 o 2 1 0 12979.71 1241.78 12095.01 o 1 0 2 1875.66 176.12 1694.25 o 2 0 -2 64365.36 6520.89 65532.77 o 0 2 2 764.00 73.87 714.17 o 1 2 -2 168.33 17.47 151.60 o 1 1 2 35690.42 3681.02 37269.70 o 0 3 1 6361.77 605.05 5874.43 o 2 1 -2 631.47 59.06 556.59 o 1 3 0 1927.60 179.65 1720.55 o 2 2 -1 2987.45 301.98 3026.81 o 2 2 0 2557.23 252.77 2503.32 o 2 1 1 3252.53 344.68 3535.24 o 1 3 -1 163.32 16.14 131.01 o 1 3 1 9820.53 942.58 9173.29 o 1 1 -3 7296.79 700.40 6833.62 o 1 2 2 2170.77 211.35 2073.85 o 2 2 -2 1032.23 109.18 1109.65 o 0 1 3 12163.66 1221.64 12189.29 o 2 2 1 995.30 95.11 915.13 o 0 3 2 3206.06 329.39 3327.26 o 1 3 -2 563.80 50.40 455.20 o 2 3 -1 58239.29 5725.35 56628.75 o 3 1 -1 8084.76 795.75 7868.56 o 0 4 0 15844.72 1451.56 13789.82 o 3 0 0 27488.14 2694.27 26533.48 o 2 1 -3 5818.93 538.80 5145.27 o 2 3 0 39344.63 3874.02 38303.25 o 1 2 -3 1261.17 115.02 1079.68 o 2 0 2 115.59 12.49 76.79 o 3 0 -2 3280.91 330.35 3303.47 o 0 2 3 5687.78 551.48 5401.04 o 3 1 0 1043.73 112.75 1155.40 o 2 1 2 8895.60 868.41 8551.94 o 0 4 1 1890.33 167.47 1552.78 o 3 1 -2 4206.16 400.86 3897.56 o 1 4 0 3330.95 330.13 3274.28 o 1 3 2 12801.47 1277.00 12693.13 o 1 1 3 7474.27 740.18 7338.29 o 1 4 -1 2610.80 262.06 2613.20 o 2 3 -2 2011.20 196.48 1927.90 o 3 2 -1 24688.69 2480.63 24803.83 o 2 2 -3 173.01 21.48 204.19 o 2 3 1 56.19 10.93 74.34 o 3 2 0 2645.02 272.91 2757.79 o 1 4 1 2516.28 242.46 2364.63 o 2 2 2 1413.01 132.43 1263.84 o 3 2 -2 19575.05 1975.07 19774.38 o 3 1 1 394.75 40.22 381.88 o 1 3 -3 2395.23 218.60 2066.13 o 1 2 3 1594.81 146.59 1385.29 o 1 0 -4 1889.38 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32.51 20.38 17.19 o 0 16 7 4.51 27.27 7.53 o 1 18 -1 38.68 19.89 29.93 o 3 10 -13 -31.56 27.79 0.03 o 7 1 11 100.54 23.14 95.00 o 8 6 9 15.65 24.96 3.18 o 5 5 12 17.19 27.76 24.65 o 6 16 1 22.05 26.93 1.21 o 3 8 -14 86.98 23.80 111.85 o 4 11 10 55.38 20.11 56.54 o 6 13 -10 3.63 18.87 14.45 o 8 11 6 11.41 25.95 8.04 o 3 5 -15 82.74 21.38 52.43 o 4 5 -15 67.12 20.38 49.13 o 6 12 -11 11.45 26.09 0.06 o 7 2 -15 -5.24 27.43 3.96 o 8 5 -14 18.97 27.75 13.47 o 14 1 -5 260.94 35.89 264.16 o 4 17 -4 6.01 27.70 19.24 o 5 16 -6 -25.30 27.31 0.05 o 8 12 5 -21.05 26.87 6.53 o 13 6 -1 51.43 20.64 50.33 o 0 2 15 8.89 27.05 6.39 o 4 8 -14 102.62 23.89 103.51 o 14 1 -3 307.83 36.52 263.61 o 3 6 13 8.23 27.01 8.58 o 11 4 -12 50.08 21.69 86.46 o 0 11 12 -21.14 27.59 6.10 o 4 10 -13 28.47 29.67 54.52 o 13 0 2 92.82 22.33 92.41 o 1 18 1 -10.33 28.97 10.87 o 5 15 -8 89.80 22.11 70.48 o 10 4 -13 22.21 19.82 22.53 o 12 3 4 261.42 32.50 220.79 o 2 4 14 22.13 18.41 5.45 o 6 4 -15 70.29 20.92 63.42 o 13 3 -9 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