#------------------------------------------------------------------------------ #$Date: 2019-06-12 07:42:34 +0300 (Wed, 12 Jun 2019) $ #$Revision: 215872 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/55/13/1551354.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_1551354 _cell_angle_alpha 90.000 _cell_angle_beta 106.154 _cell_angle_gamma 90.000 _cell_length_a 23.1940 _cell_length_b 9.8250 _cell_length_c 16.4750 _exptl_crystal_F_000 1476.00 _reflns_d_resolution_high 0.8006 _cod_data_source_file hb4299Isup2.hkl _cod_data_source_block I _shelx_title ' CDP in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 357.90 _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 50200.28 67311.39 631.95 o 3 0 0 506.75 481.54 74.70 o 4 0 0 9904.78 13141.78 398.66 o 5 0 0 8817.52 9830.61 414.63 o 6 0 0 151.96 254.51 94.73 o 7 0 0 2210.00 2250.01 243.50 o 8 0 0 5493.31 5261.76 383.02 o 9 0 0 3.63 -27.45 45.83 o 10 0 0 10386.51 9818.46 601.27 o 11 0 0 761.55 1032.72 205.99 o 12 0 0 3799.77 3128.46 520.50 o 13 0 0 735.44 940.06 304.21 o 14 0 0 6553.71 4232.06 719.42 o 15 0 0 2441.80 2198.74 503.49 o 16 0 0 7963.08 6679.03 804.14 o 17 0 0 1209.56 1270.73 131.86 o 18 0 0 687.61 711.73 109.73 o 19 0 0 788.56 508.07 119.85 o 20 0 0 464.26 241.48 89.29 o 21 0 0 554.22 571.98 148.36 o 22 0 0 396.92 320.91 83.03 o 23 0 0 858.85 765.31 106.80 o 24 0 0 2277.89 2362.71 152.78 o 25 0 0 66.33 49.76 48.03 o 26 0 0 52.78 109.62 61.50 o 27 0 0 21.30 49.76 77.78 o 1 1 0 4667.20 4433.11 101.91 o 2 1 0 2273.97 2995.79 73.17 o 3 1 0 3914.13 4130.16 147.69 o 4 1 0 3503.47 4689.67 125.81 o 5 1 0 3117.06 3550.24 132.72 o 6 1 0 75.13 180.95 31.95 o 7 1 0 1033.18 975.09 75.42 o 8 1 0 2223.62 2360.07 126.31 o 9 1 0 384.30 325.96 60.79 o 10 1 0 6.68 -57.27 57.27 o 11 1 0 1122.58 1197.21 112.07 o 12 1 0 604.78 393.86 95.45 o 13 1 0 1780.69 1778.09 192.92 o 14 1 0 2720.99 1915.42 320.47 o 15 1 0 1360.70 1164.02 297.85 o 16 1 0 416.92 397.28 55.88 o 17 1 0 96.55 95.79 47.61 o 18 1 0 326.30 314.22 53.93 o 19 1 0 769.67 803.57 80.19 o 20 1 0 97.62 60.81 49.44 o 21 1 0 931.42 801.83 83.25 o 22 1 0 395.66 433.61 66.33 o 23 1 0 37.86 -2.72 45.01 o 24 1 0 10.18 5.27 40.33 o 25 1 0 672.73 521.15 59.49 o 26 1 0 17.57 19.23 30.38 o 27 1 0 181.42 93.60 43.93 o 0 2 0 7053.85 7827.79 172.08 o 1 2 0 137.83 234.87 37.23 o 2 2 0 7868.52 8446.45 140.44 o 3 2 0 2523.76 2546.85 84.73 o 4 2 0 848.09 1117.90 63.59 o 5 2 0 2.92 2.15 32.15 o 6 2 0 270.77 300.82 48.95 o 7 2 0 259.96 177.29 46.34 o 8 2 0 998.49 791.70 81.77 o 9 2 0 1898.28 2061.21 131.93 o 10 2 0 2875.56 2760.78 203.69 o 11 2 0 28.39 15.33 60.02 o 12 2 0 4012.47 3728.81 279.31 o 13 2 0 25.05 92.23 151.97 o 14 2 0 7893.51 6463.55 1171.73 o 15 2 0 10.67 -68.60 68.60 o 16 2 0 656.94 565.23 64.20 o 17 2 0 455.24 472.63 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870.90 130.88 o 4 8 0 1572.94 1545.74 127.02 o 5 8 0 874.34 892.37 119.93 o 6 8 0 4932.22 5964.86 347.97 o 7 8 0 65.05 84.23 81.82 o 8 8 0 1894.83 2049.91 180.25 o 9 8 0 776.40 797.34 286.01 o 10 8 0 348.34 477.24 137.74 o 11 8 0 119.00 82.69 101.91 o 12 8 0 261.53 147.77 123.75 o 13 8 0 189.21 86.50 96.67 o 14 8 0 327.33 262.51 66.11 o 15 8 0 59.15 9.08 53.83 o 16 8 0 346.06 295.72 63.45 o 17 8 0 26.68 -51.72 51.72 o 18 8 0 96.49 81.36 42.42 o 19 8 0 188.24 138.95 42.07 o 20 8 0 35.81 3.34 38.40 o 21 8 0 246.97 199.08 82.48 o 1 9 0 42.34 214.92 111.90 o 2 9 0 8.13 129.74 123.89 o 3 9 0 27.27 112.95 70.18 o 4 9 0 252.74 287.97 80.94 o 5 9 0 1096.26 1104.40 119.66 o 6 9 0 0.60 -62.74 80.96 o 7 9 0 221.91 177.59 261.85 o 8 9 0 19.66 -51.41 107.48 o 9 9 0 15.48 34.15 106.75 o 10 9 0 449.23 461.72 127.84 o 11 9 0 14.24 110.38 94.79 o 12 9 0 68.46 -1.69 87.62 o 13 9 0 37.58 86.13 74.47 o 14 9 0 10.37 9.24 68.01 o 15 9 0 36.45 -57.78 63.55 o 16 9 0 15.29 -4.81 48.90 o 17 9 0 62.51 65.33 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