#------------------------------------------------------------------------------ #$Date: 2018-04-30 19:34:51 +0300 (Mon, 30 Apr 2018) $ #$Revision: 207569 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/24/2242488.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_2242488 _cell_angle_alpha 90.000 _cell_angle_beta 91.700 _cell_angle_gamma 90.000 _cell_length_a 12.3477 _cell_length_b 24.7472 _cell_length_c 19.0123 _exptl_crystal_F_000 2648.00 _reflns_d_resolution_high 0.8409 _cod_data_source_file eb2007complex1sup2.hkl _cod_data_source_block complex1 _shelx_title ' p in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 474.98 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -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 14543.35 14260.60 256.55 o 4 0 0 48849.82 43076.50 705.31 o 6 0 0 175704.61 170751.56 2954.68 o 10 0 0 11771.63 9990.63 584.90 o 12 0 0 10736.50 10195.91 475.57 o 14 0 0 1084.30 1165.70 247.35 o 1 1 0 56836.77 49281.87 1228.75 o 2 1 0 5017.45 4586.60 60.31 o 3 1 0 8089.93 9705.00 111.48 o 4 1 0 10909.87 10522.53 133.10 o 5 1 0 24107.13 26677.76 333.84 o 6 1 0 3557.84 5824.58 11291.37 o 7 1 0 11423.84 15033.69 1268.12 o 8 1 0 31879.05 32057.21 750.40 o 9 1 0 441.32 793.23 114.58 o 10 1 0 15687.08 15526.92 411.34 o 11 1 0 3466.69 3674.82 247.92 o 12 1 0 1347.09 1309.91 86.24 o 13 1 0 135.36 62.53 89.13 o 14 1 0 5110.06 5616.32 486.51 o 0 2 0 79894.02 71103.54 4613.60 o 1 2 0 43199.04 38492.51 727.53 o 2 2 0 10781.88 9324.36 114.55 o 3 2 0 957.55 1061.02 65.68 o 4 2 0 12647.01 13344.65 187.78 o 5 2 0 3322.74 4073.18 613.25 o 6 2 0 8122.65 8788.59 181.25 o 7 2 0 19573.19 24557.13 1064.36 o 8 2 0 3703.46 5434.51 1644.00 o 9 2 0 24273.44 26033.50 333.55 o 10 2 0 3447.02 3854.86 263.02 o 11 2 0 176.07 288.30 92.90 o 12 2 0 2303.95 2282.88 207.11 o 13 2 0 3497.91 3270.44 174.32 o 14 2 0 8.32 131.00 245.99 o 1 3 0 104259.42 94861.93 1992.65 o 2 3 0 21252.56 21391.23 303.81 o 3 3 0 12351.19 11378.56 158.98 o 4 3 0 7421.39 6486.76 110.37 o 5 3 0 58283.13 58657.93 693.17 o 6 3 0 1898.13 3351.24 962.97 o 7 3 0 33403.11 34804.27 865.53 o 8 3 0 5307.61 5966.72 121.96 o 9 3 0 62.35 668.15 210.66 o 10 3 0 240.43 710.35 134.72 o 11 3 0 23725.01 24757.79 360.36 o 12 3 0 26.31 148.48 76.13 o 13 3 0 506.52 656.53 239.84 o 14 3 0 197.02 1022.08 235.57 o 1 4 0 1184.44 1787.91 82.36 o 2 4 0 71315.52 67025.05 1116.64 o 3 4 0 3411.93 3793.62 61.13 o 4 4 0 9693.49 10488.01 147.30 o 5 4 0 8623.52 7909.02 328.03 o 6 4 0 46076.14 44949.47 522.06 o 7 4 0 6150.68 7533.90 886.44 o 8 4 0 7294.72 8651.41 1239.32 o 9 4 0 15462.71 16295.94 236.70 o 10 4 0 7830.40 8128.24 151.20 o 11 4 0 2198.28 2286.14 106.51 o 12 4 0 6890.18 6738.93 184.58 o 13 4 0 3342.42 3236.54 541.85 o 14 4 0 765.37 472.38 231.57 o 1 5 0 127.31 841.62 232.29 o 2 5 0 15102.65 16031.57 264.74 o 3 5 0 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2948.46 103.74 o 7 7 0 17126.16 16760.18 457.47 o 8 7 0 19236.83 19474.93 257.56 o 9 7 0 3689.26 3830.66 102.16 o 10 7 0 6212.14 6272.15 251.89 o 11 7 0 6325.74 6603.09 212.65 o 12 7 0 2457.48 2119.04 133.15 o 13 7 0 1764.66 1265.20 209.99 o 14 7 0 1451.47 1202.38 226.78 o 0 8 0 775.66 768.02 110.69 o 1 8 0 54206.50 48742.30 965.51 o 2 8 0 519.20 582.52 104.15 o 3 8 0 62927.54 59016.45 958.10 o 4 8 0 1346.44 1380.86 54.04 o 5 8 0 1147.15 987.59 58.78 o 6 8 0 392.61 505.43 97.38 o 7 8 0 14885.00 15530.78 621.46 o 8 8 0 322.56 190.43 53.26 o 9 8 0 29820.34 29857.09 515.61 o 10 8 0 1860.30 1720.89 122.89 o 11 8 0 1048.75 917.76 96.16 o 12 8 0 201.81 0.00 246.82 o 13 8 0 2418.52 2111.11 266.33 o 14 8 0 65.99 0.00 253.50 o 1 9 0 142642.63 136503.78 4148.24 o 2 9 0 4865.36 4753.95 215.20 o 3 9 0 124.68 106.95 32.77 o 4 9 0 16775.37 15844.66 332.63 o 5 9 0 34325.63 33685.18 410.65 o 6 9 0 6742.13 6560.47 103.11 o 7 9 0 14777.04 14589.89 233.49 o 8 9 0 4764.71 5091.19 106.91 o 9 9 0 112.63 204.88 78.51 o 10 9 0 6912.29 7100.50 411.86 o 11 9 0 8016.23 8063.98 205.66 o 12 9 0 42.24 125.00 234.99 o 13 9 0 721.89 568.18 156.82 o 1 10 0 10823.33 10090.99 251.44 o 2 10 0 8085.71 8321.20 230.30 o 3 10 0 15989.51 15811.21 302.93 o 4 10 0 73900.80 72596.38 1159.17 o 5 10 0 54.63 61.29 42.05 o 6 10 0 46538.96 43715.62 634.31 o 7 10 0 15658.65 16097.25 244.84 o 8 10 0 3975.16 3979.74 191.60 o 9 10 0 7025.96 7067.83 148.19 o 10 10 0 18332.21 19466.85 514.68 o 11 10 0 224.56 251.48 162.99 o 12 10 0 8262.57 9299.07 395.88 o 13 10 0 1237.67 688.45 361.46 o 1 11 0 462.24 458.76 48.45 o 2 11 0 19848.82 17382.57 430.56 o 3 11 0 2673.84 2645.46 90.57 o 4 11 0 17351.70 16818.87 292.54 o 5 11 0 2823.01 3238.75 65.72 o 6 11 0 3306.12 3300.80 102.71 o 7 11 0 68.41 97.62 39.25 o 8 11 0 15805.99 16699.22 536.10 o 9 11 0 5500.21 5838.52 217.64 o 10 11 0 14038.32 14061.48 671.75 o 11 11 0 243.07 346.67 81.64 o 12 11 0 1853.97 2047.11 198.31 o 13 11 0 103.80 0.00 127.55 o 0 12 0 82693.85 85343.38 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0 3093.08 3100.45 80.99 o 6 14 0 1589.12 1867.27 132.18 o 7 14 0 7909.28 7199.64 210.87 o 8 14 0 510.68 573.04 100.60 o 9 14 0 21709.80 21403.58 484.71 o 10 14 0 1521.00 1330.84 179.14 o 11 14 0 435.77 554.47 186.62 o 12 14 0 1081.87 922.73 429.79 o 1 15 0 16563.22 15441.32 358.94 o 2 15 0 12469.84 12119.24 256.42 o 3 15 0 1000.22 833.96 90.93 o 4 15 0 12379.25 11622.41 236.78 o 5 15 0 4774.59 4897.97 154.68 o 6 15 0 3964.79 3862.59 254.45 o 7 15 0 14808.83 14710.81 572.22 o 8 15 0 15253.12 14270.40 316.93 o 9 15 0 9.22 30.46 95.58 o 10 15 0 4119.34 4271.00 464.06 o 11 15 0 3766.37 4433.02 662.11 o 12 15 0 11.48 0.00 255.88 o 0 16 0 40343.36 43443.87 1332.03 o 1 16 0 7181.66 6955.21 205.67 o 2 16 0 13563.12 13781.26 268.43 o 3 16 0 3475.39 3380.97 142.03 o 4 16 0 3922.22 3779.31 175.36 o 5 16 0 17.93 79.38 43.00 o 6 16 0 18690.78 18923.62 456.30 o 7 16 0 1736.39 1780.34 228.42 o 8 16 0 4176.79 4854.64 341.64 o 9 16 0 1757.29 1683.66 145.17 o 10 16 0 5210.27 5104.93 258.13 o 11 16 0 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