#------------------------------------------------------------------------------ #$Date: 2019-04-19 05:33:27 +0300 (Fri, 19 Apr 2019) $ #$Revision: 214706 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/55/09/1550914.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_1550914 _cell_angle_alpha 90.000 _cell_angle_beta 113.840 _cell_angle_gamma 90.000 _cell_length_a 11.5029 _cell_length_b 31.8022 _cell_length_c 10.8445 _exptl_crystal_F_000 1764.00 _reflns_d_resolution_high 0.8000 _cod_data_source_file im4004Isup2.hkl _cod_data_source_block I _shelx_title ' gdcumb_a.res in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 341.29 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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 2 0 0 77006.00 75727.01 776.30 o 3 0 0 23846.31 23749.03 500.92 o 4 0 0 159.82 215.89 30.82 o 5 0 0 50295.60 49422.48 1889.21 o 6 0 0 14064.85 13932.17 269.74 o 7 0 0 1882.00 1852.10 102.57 o 8 0 0 4470.90 4494.32 146.72 o 9 0 0 22783.14 22068.14 412.75 o 10 0 0 543.94 503.74 111.83 o 11 0 0 5125.20 5093.04 263.04 o 12 0 0 1134.54 1239.24 277.98 o 13 0 0 163.75 204.62 213.90 o 2 1 0 25841.41 27222.69 267.85 o 3 1 0 5423.99 5624.57 132.67 o 4 1 0 15540.49 15209.23 245.51 o 5 1 0 2603.91 2549.47 80.43 o 6 1 0 169.27 186.38 25.92 o 7 1 0 6420.25 6327.71 118.60 o 8 1 0 2527.47 2336.47 81.54 o 9 1 0 1798.19 1986.33 92.28 o 10 1 0 1545.49 1634.28 113.08 o 11 1 0 189.63 277.15 127.64 o 12 1 0 63.51 49.99 132.20 o 13 1 0 666.99 538.55 175.29 o 2 2 0 121.28 63.30 27.24 o 3 2 0 7000.72 7085.55 118.94 o 4 2 0 11.41 27.45 31.65 o 5 2 0 10848.07 10909.74 183.32 o 6 2 0 2771.61 2907.12 62.15 o 7 2 0 113.11 202.51 30.18 o 8 2 0 72.17 96.03 36.08 o 9 2 0 22.94 78.14 53.23 o 10 2 0 86.81 154.98 66.61 o 11 2 0 274.47 290.42 112.92 o 12 2 0 40.29 23.73 143.60 o 13 2 0 2.08 -49.79 148.13 o 1 3 0 1186.10 841.37 23.63 o 2 3 0 28990.63 29902.81 225.31 o 3 3 0 7157.73 7187.41 134.18 o 4 3 0 33851.86 34682.31 329.27 o 5 3 0 20392.34 20219.98 291.47 o 6 3 0 1667.27 1691.61 64.01 o 7 3 0 11834.52 11471.67 139.62 o 8 3 0 870.15 852.98 45.88 o 9 3 0 1952.82 2172.64 106.36 o 10 3 0 2491.50 2762.50 119.75 o 11 3 0 87.50 141.77 93.35 o 12 3 0 659.02 803.19 202.52 o 13 3 0 984.04 831.03 184.43 o 1 4 0 284.32 310.06 25.39 o 2 4 0 12945.01 14527.98 165.22 o 3 4 0 22526.65 22601.73 217.05 o 4 4 0 4974.02 5199.16 134.50 o 5 4 0 11350.69 11158.72 166.71 o 6 4 0 19833.34 19861.83 197.71 o 7 4 0 28.29 76.21 37.25 o 8 4 0 4424.51 4694.75 107.43 o 9 4 0 12525.56 12730.45 216.12 o 10 4 0 867.26 859.93 81.26 o 11 4 0 3077.73 3317.00 188.96 o 12 4 0 1205.47 1253.68 204.66 o 13 4 0 200.77 167.62 152.21 o 1 5 0 2465.35 2817.32 163.05 o 2 5 0 1736.36 1860.97 67.08 o 3 5 0 1140.84 1011.05 56.85 o 4 5 0 137.73 62.92 38.11 o 5 5 0 1574.51 1835.28 71.75 o 6 5 0 2867.51 3130.75 88.37 o 7 5 0 4443.80 4342.08 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22739.38 23643.00 274.51 o 4 8 0 2845.42 3085.92 128.78 o 5 8 0 8015.64 7856.39 114.19 o 6 8 0 14579.24 14324.43 191.70 o 7 8 0 945.62 932.37 49.67 o 8 8 0 2005.48 2131.17 101.75 o 9 8 0 6790.64 7006.10 194.96 o 10 8 0 213.91 370.61 116.71 o 11 8 0 1567.88 1851.54 117.94 o 12 8 0 789.50 913.17 81.48 o 1 9 0 4176.50 4790.96 121.39 o 2 9 0 349.11 390.05 42.56 o 3 9 0 63.21 112.22 44.95 o 4 9 0 797.31 747.78 60.33 o 5 9 0 1467.15 1581.65 60.41 o 6 9 0 77.80 146.90 45.32 o 7 9 0 1406.13 1455.42 71.27 o 8 9 0 662.50 696.68 46.82 o 9 9 0 76.14 192.09 64.68 o 10 9 0 6.33 2.61 74.87 o 11 9 0 0.65 33.19 63.49 o 12 9 0 0.72 -3.37 63.82 o 1 10 0 797.70 714.35 60.46 o 2 10 0 2735.77 2542.81 107.00 o 3 10 0 10386.53 10911.47 318.00 o 4 10 0 92.74 149.70 31.72 o 5 10 0 4582.40 5073.39 122.11 o 6 10 0 2595.56 2680.55 105.42 o 7 10 0 33.62 105.21 46.98 o 8 10 0 1942.16 2094.28 79.86 o 9 10 0 2241.90 2377.45 122.30 o 10 10 0 86.70 111.60 70.46 o 11 10 0 652.31 642.26 90.49 o 12 10 0 371.85 414.45 59.83 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13 0 126.84 217.37 51.96 o 10 13 0 128.63 172.12 59.26 o 11 13 0 45.99 16.10 52.74 o 12 13 0 10.00 16.88 59.14 o 1 14 0 674.10 879.96 116.09 o 2 14 0 13397.73 13342.87 441.10 o 3 14 0 15468.76 14517.26 191.36 o 4 14 0 2119.76 2125.97 98.44 o 5 14 0 3552.41 3592.62 128.70 o 6 14 0 5451.03 5524.13 184.91 o 7 14 0 28.06 180.20 71.60 o 8 14 0 4031.79 4724.03 222.17 o 9 14 0 3799.49 4097.43 177.33 o 10 14 0 369.06 410.75 81.60 o 11 14 0 1007.54 1160.82 224.26 o 12 14 0 434.06 488.75 93.56 o 1 15 0 32950.63 31108.97 539.35 o 2 15 0 4442.41 4186.77 157.42 o 3 15 0 274.24 211.93 42.93 o 4 15 0 11562.75 11769.66 234.79 o 5 15 0 8610.28 8928.00 200.31 o 6 15 0 770.54 781.51 117.56 o 7 15 0 12068.52 12261.67 286.33 o 8 15 0 4158.54 4319.94 213.65 o 9 15 0 1020.04 1259.36 95.27 o 10 15 0 3998.12 4367.23 193.47 o 11 15 0 208.31 212.94 185.07 o 12 15 0 733.20 671.03 161.97 o 1 16 0 132.42 273.76 74.76 o 2 16 0 10132.22 10068.94 279.67 o 3 16 0 13593.18 13281.99 235.14 o 4 16 0 587.45 543.81 46.89 o 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