#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:40:40 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180798 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/29/2012999.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_2012999_Fobs loop_ _publ_author_name 'Okabe, Nobuo' 'Muranishi, Yasunori' 'Wada, Yoshio' _publ_section_title ; 5-n-Butylpyridine-2-carboxylate--copper(II) and --iron(III) complexes ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m511 _journal_page_last m513 _journal_volume 58 _journal_year 2002 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cod_data_source_file ob1079IIsup3.hkl _cod_data_source_block II 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 -12 1383.36 154.41 1487.75 o 0 0 -10 633.95 62.20 561.93 o 0 0 -8 5410.28 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29.11 o 11 11 2 -28.73 112.79 3.36 o 11 11 3 63.50 107.85 5.19 o 11 11 4 89.01 60.75 48.31 o 11 12 -8 5.18 99.29 1.48 o 11 12 -7 69.15 69.16 3.88 o 11 12 -6 88.69 85.07 172.20 o 11 12 -5 46.94 91.52 0.04 o 11 12 -4 34.61 93.33 3.87 o 11 12 -3 -32.42 95.76 1.48 o 11 12 -2 -54.08 88.30 20.50 o 11 12 -1 -229.34 99.29 0.03 o 11 12 0 37.67 90.58 17.99 o 11 12 1 28.26 112.71 3.73 o 11 12 2 -99.37 133.76 54.52 o 11 12 3 77.08 107.54 2.20 o 11 13 -7 -91.20 117.19 35.14 o 11 13 -6 -36.81 76.21 0.04 o 11 13 -5 93.64 105.80 71.75 o 11 13 -4 -102.51 101.72 0.40 o 11 13 -3 -124.25 93.87 1.03 o 11 13 -2 -41.05 106.67 10.16 o 11 13 -1 60.44 74.41 0.64 o 11 13 0 -112.24 119.55 60.39 o 11 13 1 -6.91 111.30 15.18 o 11 13 2 -22.13 118.44 10.75 o 11 14 -6 16.09 109.96 6.30 o 11 14 -5 92.22 101.75 28.86 o 11 14 -4 -22.76 108.31 10.77 o 11 14 -3 140.02 99.16 4.63 o 11 14 -2 47.09 94.59 12.23 o 11 14 -1 60.20 102.26 78.77 o 11 14 0 99.99 122.53 0.50 o 11 14 1 96.78 84.57 27.95 o 11 15 -3 29.12 116.18 44.37 o 11 15 -2 -25.67 100.86 10.09 o 11 15 -1 104.47 100.49 12.31 o 12 0 -8 22.13 50.32 21.14 o 12 0 -6 -191.98 117.26 24.98 o 12 0 -4 -40.26 121.71 106.50 o 12 0 -2 135.71 116.06 210.44 o 12 0 0 -15.78 116.56 9.37 o 12 0 2 -160.51 112.87 0.93 o 12 0 4 -107.76 115.71 55.98 o 12 1 -9 30.69 103.68 0.06 o 12 1 -8 -90.26 107.53 11.90 o 12 1 -7 83.75 103.39 27.16 o 12 1 -6 -180.21 95.52 7.43 o 12 1 -5 17.74 90.50 0.94 o 12 1 -4 -39.24 93.09 19.86 o 12 1 -3 90.18 98.54 96.36 o 12 1 -2 149.36 111.62 108.14 o 12 1 -1 -20.64 102.51 1.58 o 12 1 0 -43.33 108.00 14.07 o 12 1 1 67.34 97.58 19.39 o 12 1 2 17.35 93.79 4.33 o 12 1 3 -163.33 113.18 1.54 o 12 1 4 67.11 117.56 79.52 o 12 2 -9 50.62 104.64 35.38 o 12 2 -8 -20.72 94.81 0.05 o 12 2 -7 -149.44 111.06 2.61 o 12 2 -6 -12.40 66.56 7.64 o 12 2 -5 152.42 44.07 108.18 o 12 2 -4 8.95 89.40 21.17 o 12 2 -3 -79.82 107.84 7.71 o 12 2 -2 76.76 82.60 30.80 o 12 2 -1 94.66 105.18 199.55 o 12 2 0 36.26 56.44 7.48 o 12 2 1 57.61 49.46 5.27 o 12 2 2 -76.60 93.01 1.45 o 12 2 3 -56.04 112.25 131.67 o 12 2 4 -53.06 118.83 21.22 o 12 3 -8 -36.58 101.41 3.56 o 12 3 -7 81.16 69.11 80.43 o 12 3 -6 71.03 70.75 23.70 o 12 3 -5 -139.55 102.43 0.80 o 12 3 -4 97.56 102.81 65.36 o 12 3 -3 230.13 52.77 298.07 o 12 3 -2 33.75 80.70 23.79 o 12 3 -1 -56.90 112.40 2.39 o 12 3 0 5.18 94.03 0.48 o 12 3 1 23.15 68.05 5.32 o 12 3 2 -6.83 99.92 1.64 o 12 3 3 -130.06 118.20 1.13 o 12 3 4 -136.49 112.87 19.60 o 12 4 -8 66.79 42.05 34.25 o 12 4 -7 -189.47 111.06 15.42 o 12 4 -6 10.52 111.06 117.82 o 12 4 -5 -32.49 95.99 15.60 o 12 4 -4 4.08 96.48 57.72 o 12 4 -3 82.73 99.45 1.25 o 12 4 -2 200.93 50.33 154.45 o 12 4 -1 115.61 44.14 35.55 o 12 4 0 -28.81 102.13 51.34 o 12 4 1 -114.83 114.20 2.06 o 12 4 2 85.94 91.94 22.64 o 12 4 3 -143.01 121.31 99.05 o 12 5 -8 -74.17 100.94 23.33 o 12 5 -7 16.40 96.23 4.05 o 12 5 -6 89.71 97.68 39.35 o 12 5 -5 94.81 41.79 4.25 o 12 5 -4 83.98 45.61 73.98 o 12 5 -3 29.59 74.50 24.27 o 12 5 -2 39.95 115.33 131.45 o 12 5 -1 -42.78 107.06 0.08 o 12 5 0 139.79 101.57 54.48 o 12 5 1 56.35 92.62 2.97 o 12 5 2 208.94 49.90 113.41 o 12 5 3 91.60 47.91 10.07 o 12 6 -8 -22.13 108.08 10.48 o 12 6 -7 99.76 90.75 0.06 o 12 6 -6 86.81 101.96 81.99 o 12 6 -5 84.06 103.24 95.82 o 12 6 -4 -12.64 94.76 58.38 o 12 6 -3 62.87 81.01 9.77 o 12 6 -2 42.70 83.44 14.21 o 12 6 -1 122.28 109.97 189.44 o 12 6 0 87.75 109.12 22.70 o 12 6 1 56.51 103.61 0.00 o 12 6 2 -151.72 120.33 44.12 o 12 6 3 61.38 123.51 75.13 o 12 7 -7 -58.00 104.91 93.89 o 12 7 -6 -39.24 93.79 0.62 o 12 7 -5 -113.81 102.03 0.04 o 12 7 -4 8.01 93.64 3.86 o 12 7 -3 120.32 47.15 135.39 o 12 7 -2 101.09 94.30 31.30 o 12 7 -1 68.76 99.69 0.25 o 12 7 0 56.51 93.49 5.20 o 12 7 1 194.34 52.71 139.80 o 12 7 2 55.33 109.74 26.01 o 12 8 -7 34.69 100.78 4.66 o 12 8 -6 -185.62 105.02 10.70 o 12 8 -5 100.78 110.12 198.26 o 12 8 -4 26.29 105.65 17.72 o 12 8 -3 69.93 75.51 0.42 o 12 8 -2 118.05 39.54 39.58 o 12 8 -1 64.99 94.52 28.53 o 12 8 0 35.79 106.99 29.83 o 12 8 1 -80.14 96.54 1.55 o 12 8 2 -92.15 126.52 12.35 o 12 9 -6 81.08 92.09 18.64 o 12 9 -5 -41.76 108.31 7.43 o 12 9 -4 111.77 87.55 17.38 o 12 9 -3 124.17 94.99 0.29 o 12 9 -2 89.87 89.74 26.13 o 12 9 -1 44.50 98.35 1.34 o 12 9 0 137.04 115.87 78.05 o 12 9 1 24.96 100.00 6.58 o 12 10 -5 63.34 102.12 3.47 o 12 10 -4 -101.88 109.75 61.18 o 12 10 -3 -120.32 108.39 12.10 o 12 10 -2 -71.11 97.48 2.17 o 12 10 -1 -90.42 96.93 11.35 o 12 10 0 -43.72 119.62 7.09 o