#------------------------------------------------------------------------------ #$Date: 2021-10-14 05:28:04 +0300 (Thu, 14 Oct 2021) $ #$Revision: 269937 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/39/2243934.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_2243934 _cell_angle_alpha 90.000 _cell_angle_beta 95.132 _cell_angle_gamma 90.000 _cell_length_a 6.8165 _cell_length_b 4.4676 _cell_length_c 13.2879 _exptl_crystal_F_000 184.00 _reflns_d_resolution_high 0.7499 _cod_data_source_file dj2033Isup3.hkl _cod_data_source_block I _shelx_title ' ALP078Pdep_a.res in P2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 30.68 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -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 1 -5 0 0.29 0.42 0.14 o 2 -5 0 2.94 3.15 0.23 o 3 -5 0 22.19 21.57 0.46 o 4 -5 0 11.44 12.88 0.42 o 0 -4 0 60.40 62.24 0.89 o 1 -4 0 1.05 1.13 0.13 o 2 -4 0 3.54 3.99 0.18 o 3 -4 0 23.13 23.58 0.42 o 4 -4 0 4.84 5.28 0.46 o 5 -4 0 0.70 0.79 0.25 o 6 -4 0 8.16 8.82 0.55 o 1 -3 0 186.17 195.17 1.54 o 2 -3 0 143.52 150.39 1.30 o 3 -3 0 11.34 10.99 0.34 o 4 -3 0 38.39 37.90 0.56 o 5 -3 0 173.49 170.63 2.07 o 6 -3 0 44.26 42.95 0.65 o 7 -3 0 0.50 0.68 0.20 o 0 -2 0 307.72 309.16 3.76 o 1 -2 0 36.52 38.07 0.37 o 2 -2 0 10.04 9.57 0.19 o 3 -2 0 207.61 213.95 2.10 o 4 -2 0 0.26 0.47 0.10 o 5 -2 0 20.75 19.26 0.37 o 6 -2 0 5.52 5.69 0.23 o 7 -2 0 1.38 1.47 0.19 o 8 -2 0 11.46 13.19 0.40 o 2 -1 0 231.69 244.30 2.97 o 3 -1 0 417.87 437.32 6.44 o 4 -1 0 19.18 20.82 0.43 o 5 -1 0 21.89 20.85 0.64 o 6 -1 0 34.93 33.85 0.74 o 7 -1 0 2.30 2.33 0.23 o 8 -1 0 19.59 20.54 0.50 o 2 0 0 62.21 62.15 0.57 o 3 0 0 204.16 216.54 1.73 o 4 0 0 495.66 528.58 5.48 o 5 0 0 130.59 112.95 0.99 o 6 0 0 127.14 125.38 1.20 o 7 0 0 10.25 8.55 0.24 o 8 0 0 2.15 2.26 0.21 o 9 0 0 0.00 0.33 0.19 o 2 1 0 231.60 236.41 5.02 o 3 1 0 417.35 430.57 9.01 o 4 1 0 19.25 21.11 0.39 o 5 1 0 21.88 20.90 0.45 o 6 1 0 35.02 33.43 0.59 o 7 1 0 2.29 2.53 0.30 o 8 1 0 19.63 20.26 0.59 o 0 2 0 307.90 310.38 4.62 o 1 2 0 36.49 38.62 0.37 o 2 2 0 9.99 9.67 0.23 o 3 2 0 207.70 210.89 2.11 o 4 2 0 0.26 0.35 0.13 o 5 2 0 20.77 19.11 0.66 o 6 2 0 5.52 5.69 0.27 o 7 2 0 1.38 1.40 0.22 o 8 2 0 11.44 13.39 0.49 o 1 3 0 185.92 197.86 1.80 o 2 3 0 143.55 149.56 1.21 o 3 3 0 11.41 10.84 0.27 o 4 3 0 38.39 37.48 0.60 o 5 3 0 173.36 166.51 4.89 o 6 3 0 44.36 41.84 0.89 o 7 3 0 0.51 0.52 0.24 o 0 4 0 60.31 63.49 1.09 o 1 4 0 1.03 0.98 0.16 o 2 4 0 3.54 3.73 0.22 o 3 4 0 23.15 24.48 0.60 o 4 4 0 4.82 5.26 0.28 o 5 4 0 0.70 1.11 0.24 o 6 4 0 8.15 9.57 0.66 o 1 5 0 0.29 0.60 0.24 o 2 5 0 2.95 3.24 0.30 o 3 5 0 22.25 21.66 0.59 o 4 5 0 11.43 12.57 0.62 o -4 -5 1 22.39 23.25 1.43 o -3 -5 1 86.04 82.88 0.94 o -2 -5 1 3.83 4.47 0.22 o -1 -5 1 20.20 20.16 0.45 o 0 -5 1 30.99 30.25 0.44 o 1 -5 1 19.66 18.92 0.38 o 2 -5 1 58.83 56.19 0.73 o 3 -5 1 7.72 7.53 0.28 o 4 -5 1 23.65 24.57 0.72 o -6 -4 1 2.40 2.72 0.26 o -5 -4 1 6.91 7.63 0.36 o -4 -4 1 8.40 8.89 0.35 o -3 -4 1 24.59 22.88 0.38 o -2 -4 1 19.21 18.51 0.33 o -1 -4 1 37.46 37.97 0.45 o 0 -4 1 11.79 11.77 0.26 o 1 -4 1 29.78 29.88 0.43 o 2 -4 1 6.50 6.70 0.23 o 3 -4 1 69.88 67.95 0.72 o 4 -4 1 26.63 25.64 0.68 o 5 -4 1 31.49 30.09 0.98 o 6 -4 1 2.92 2.72 0.58 o -7 -3 1 6.22 7.37 0.33 o -6 -3 1 15.24 16.05 0.39 o -5 -3 1 11.32 11.69 0.42 o -4 -3 1 3.35 4.25 0.25 o -3 -3 1 11.02 11.86 0.35 o -2 -3 1 45.78 46.24 0.50 o -1 -3 1 16.67 17.14 0.28 o 0 -3 1 60.15 62.50 0.59 o 1 -3 1 30.65 33.72 0.38 o 2 -3 1 55.23 56.06 0.57 o 3 -3 1 17.68 19.03 0.28 o 4 -3 1 4.05 4.70 0.27 o 5 -3 1 94.48 88.38 1.07 o 6 -3 1 25.70 24.21 0.68 o 7 -3 1 0.02 -0.02 0.24 o -8 -2 1 9.37 11.91 0.39 o -7 -2 1 0.15 0.04 0.14 o -6 -2 1 54.55 52.12 0.65 o -5 -2 1 120.84 121.59 1.20 o -4 -2 1 40.93 42.89 0.51 o -3 -2 1 147.36 155.46 1.56 o -2 -2 1 179.56 190.94 2.44 o -1 -2 1 159.13 150.80 1.36 o 0 -2 1 48.20 50.37 0.45 o 1 -2 1 182.72 183.32 1.62 o 2 -2 1 78.89 78.35 1.46 o 3 -2 1 60.13 69.69 0.79 o 4 -2 1 37.87 37.00 0.46 o 5 -2 1 93.23 93.85 0.97 o 6 -2 1 72.52 69.70 0.83 o 7 -2 1 21.88 22.74 0.49 o 8 -2 1 1.50 1.84 0.24 o -8 -1 1 0.61 0.46 0.16 o -7 -1 1 10.72 9.62 0.31 o -6 -1 1 79.09 74.37 0.92 o -5 -1 1 75.84 73.65 1.64 o -4 -1 1 146.38 159.78 1.65 o -3 -1 1 227.43 251.57 2.39 o -2 -1 1 380.90 380.98 11.51 o 0 -1 1 88.77 95.42 0.78 o 1 -1 1 376.54 355.60 9.39 o 2 -1 1 321.27 332.70 10.66 o 3 -1 1 131.87 147.25 1.60 o 4 -1 1 112.23 124.83 1.19 o 5 -1 1 92.73 90.54 0.92 o 6 -1 1 9.40 9.97 0.29 o 7 -1 1 4.03 4.15 0.29 o 8 -1 1 10.08 11.61 0.39 o -9 0 1 1.64 1.66 0.38 o -8 0 1 3.06 2.97 0.27 o -7 0 1 3.15 3.10 0.31 o -6 0 1 162.80 159.09 1.36 o -5 0 1 3.14 3.10 0.12 o -4 0 1 10.47 13.26 0.20 o -3 0 1 77.76 79.48 0.68 o -2 0 1 116.64 113.77 1.09 o -1 0 1 85.63 77.16 1.35 o 2 0 1 2.70 2.55 0.09 o 3 0 1 260.38 287.02 2.28 o 4 0 1 60.30 70.63 0.70 o 5 0 1 181.70 182.14 1.65 o 6 0 1 122.34 112.22 1.21 o 7 0 1 59.27 56.45 0.73 o 8 0 1 12.44 11.47 0.39 o -8 1 1 0.61 0.47 0.20 o -7 1 1 10.70 9.85 0.37 o -6 1 1 79.15 71.69 0.98 o -5 1 1 75.88 73.63 2.27 o -4 1 1 146.66 157.35 1.77 o -3 1 1 227.74 248.08 2.66 o -2 1 1 381.05 362.23 9.92 o 0 1 1 89.14 94.98 0.84 o 1 1 1 376.48 341.50 9.09 o 2 1 1 321.05 331.51 9.44 o 3 1 1 131.72 143.18 1.43 o 4 1 1 112.02 123.05 1.43 o 5 1 1 92.65 90.77 1.14 o 6 1 1 9.39 9.42 0.36 o 7 1 1 4.05 4.02 0.30 o 8 1 1 10.06 11.33 0.48 o -8 2 1 9.36 11.39 0.43 o -7 2 1 0.15 0.04 0.17 o -6 2 1 54.50 50.87 0.74 o -5 2 1 120.81 119.55 1.33 o -4 2 1 40.91 42.15 0.59 o -3 2 1 147.71 151.59 1.56 o -2 2 1 179.76 188.59 1.89 o -1 2 1 159.30 150.95 2.20 o 0 2 1 48.27 51.15 0.49 o 1 2 1 182.65 185.38 1.52 o 2 2 1 78.87 79.95 0.73 o 3 2 1 60.29 68.65 0.80 o 4 2 1 37.90 36.94 0.54 o 5 2 1 93.20 91.51 1.20 o 6 2 1 72.53 68.93 1.02 o 7 2 1 21.95 22.95 0.55 o 8 2 1 1.52 1.85 0.37 o -7 3 1 6.23 6.09 0.35 o -6 3 1 15.25 14.83 0.50 o -5 3 1 11.37 10.51 0.43 o -4 3 1 3.34 3.93 0.24 o -3 3 1 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135.44 1.06 o 1 -2 2 97.41 98.52 0.80 o 2 -2 2 217.96 223.50 1.96 o 3 -2 2 69.89 72.05 0.89 o 4 -2 2 1.13 1.32 0.16 o 5 -2 2 20.76 22.19 0.43 o 6 -2 2 44.13 41.95 0.66 o 7 -2 2 2.79 2.97 0.36 o 8 -2 2 0.42 0.65 0.23 o -8 -1 2 2.59 2.20 0.29 o -7 -1 2 43.30 42.69 0.63 o -6 -1 2 123.10 118.64 1.30 o -5 -1 2 84.51 83.26 1.05 o -4 -1 2 34.28 33.22 0.47 o -3 -1 2 11.24 13.31 0.29 o -2 -1 2 137.48 135.70 1.48 o 1 -1 2 124.96 116.75 1.62 o 2 -1 2 37.42 37.62 0.45 o 3 -1 2 225.36 239.30 2.10 o 4 -1 2 126.93 128.16 1.20 o 5 -1 2 39.18 39.65 0.50 o 6 -1 2 40.26 37.85 0.51 o 7 -1 2 5.29 4.76 0.27 o 8 -1 2 13.27 15.61 0.44 o -9 0 2 4.04 5.44 0.97 o -8 0 2 32.79 30.79 1.59 o -7 0 2 0.00 0.20 0.15 o -6 0 2 16.97 17.10 0.27 o -5 0 2 4.15 3.16 0.13 o -4 0 2 217.87 240.93 1.95 o -3 0 2 1.77 1.77 0.09 o -2 0 2 148.04 154.88 1.71 o 2 0 2 0.02 0.04 0.07 o 3 0 2 11.98 9.71 0.19 o 4 0 2 57.65 53.82 0.53 o 5 0 2 1.46 3.24 0.14 o 6 0 2 154.82 151.97 1.43 o 7 0 2 0.02 0.15 0.12 o 8 0 2 15.42 14.83 0.55 o -8 1 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2 56.38 63.82 0.69 o 1 3 2 57.86 58.85 0.74 o 2 3 2 75.03 72.51 0.72 o 3 3 2 47.64 49.37 0.57 o 4 3 2 6.10 6.63 0.28 o 5 3 2 5.97 6.46 0.37 o 6 3 2 3.44 4.24 0.37 o 7 3 2 1.02 0.60 0.22 o -6 4 2 0.72 1.16 0.24 o -5 4 2 26.77 27.72 0.64 o -4 4 2 8.00 9.08 0.38 o -3 4 2 55.48 55.42 0.70 o -2 4 2 50.47 50.71 0.58 o -1 4 2 54.94 54.20 0.66 o 0 4 2 66.37 63.85 0.75 o 1 4 2 7.39 6.60 0.26 o 2 4 2 13.94 13.44 0.35 o 3 4 2 98.09 94.45 1.02 o 4 4 2 13.85 14.94 0.41 o 5 4 2 5.24 6.45 0.36 o 6 4 2 2.46 2.32 0.28 o -4 5 2 4.93 5.25 0.36 o -3 5 2 7.36 7.20 0.42 o -2 5 2 18.34 18.01 0.69 o -1 5 2 4.85 4.99 0.42 o 0 5 2 87.82 87.94 1.25 o 1 5 2 24.47 23.64 0.57 o 2 5 2 3.56 3.82 0.27 o 3 5 2 9.68 10.12 0.53 o 4 5 2 4.50 5.09 0.42 o -4 -5 3 0.46 0.16 0.18 o -3 -5 3 5.73 5.99 0.25 o -2 -5 3 0.84 0.81 0.14 o -1 -5 3 3.86 4.10 0.21 o 0 -5 3 6.22 6.75 0.28 o 1 -5 3 3.00 3.67 0.31 o 2 -5 3 1.93 2.42 0.22 o 3 -5 3 16.38 15.96 0.42 o 4 -5 3 0.77 0.66 0.17 o -6 -4 3 14.97 15.79 0.66 o -5 -4 3 18.15 18.91 0.48 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69.86 66.20 0.81 o 5 -2 3 168.62 168.13 1.78 o 6 -2 3 19.45 21.31 0.45 o 7 -2 3 0.01 0.18 0.21 o 8 -2 3 6.65 7.23 0.41 o -8 -1 3 10.08 10.66 0.42 o -7 -1 3 0.45 0.38 0.14 o -6 -1 3 62.22 59.90 0.77 o -5 -1 3 2.07 2.35 0.20 o -4 -1 3 102.68 104.68 1.24 o -3 -1 3 297.54 321.44 3.94 o -2 -1 3 195.44 208.65 2.26 o -1 -1 3 538.68 556.81 13.94 o 1 -1 3 103.91 113.97 1.03 o 2 -1 3 2.04 2.39 0.10 o 3 -1 3 196.04 211.02 1.73 o 4 -1 3 59.83 65.85 0.61 o 5 -1 3 226.22 220.77 1.73 o 6 -1 3 116.67 113.97 1.15 o 7 -1 3 2.67 2.91 0.25 o 8 -1 3 15.58 16.37 0.52 o -9 0 3 11.94 13.72 0.68 o -8 0 3 6.76 6.79 0.51 o -7 0 3 3.34 2.40 0.19 o -6 0 3 7.59 7.07 0.19 o -5 0 3 152.75 146.95 1.25 o -4 0 3 314.93 348.96 3.01 o -3 0 3 748.47 788.91 18.20 o -2 0 3 38.14 36.00 0.37 o -1 0 3 6.30 6.59 0.13 o 0 0 3 0.03 0.36 0.06 o 3 0 3 155.54 149.93 1.34 o 4 0 3 67.57 79.03 0.73 o 5 0 3 61.03 63.79 0.63 o 6 0 3 16.62 15.68 0.30 o 7 0 3 5.77 4.66 0.20 o 8 0 3 1.62 2.70 0.21 o -8 1 3 10.05 9.97 0.38 o -7 1 3 0.44 0.36 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