#------------------------------------------------------------------------------ #$Date: 2016-04-14 01:22:30 +0300 (Thu, 14 Apr 2016) $ #$Revision: 182104 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/04/2020484.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_2020484 _cell_angle_alpha 90.000 _cell_angle_beta 101.851 _cell_angle_gamma 90.000 _cell_length_a 10.9248 _cell_length_b 21.5339 _cell_length_c 15.0710 _exptl_crystal_F_000 1472.00 _reflns_d_resolution_high 0.8291 _cod_data_source_file cu3094Ibsup3.hkl _cod_data_source_block Ib _shelx_title ' 153MMD12 in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 395.48 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, 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 -18 313.21 250.38 91.32 o 4 0 -18 494.40 561.58 117.22 o 3 1 -18 7.64 86.57 46.76 o 2 2 -18 462.88 718.76 97.76 o 3 3 -18 77.47 56.38 43.86 o -1 1 -17 242.71 179.99 56.76 o 1 1 -17 280.27 423.91 128.34 o 3 1 -17 688.92 820.35 89.13 o 5 1 -17 681.76 793.90 69.67 o 0 2 -17 217.00 284.46 115.74 o 2 2 -17 0.94 15.84 32.24 o 4 2 -17 265.58 383.02 54.71 o 6 2 -17 42.44 89.41 49.59 o -1 3 -17 452.75 473.68 80.46 o 1 3 -17 251.05 284.05 52.48 o 3 3 -17 320.40 424.61 58.82 o 5 3 -17 184.66 287.48 105.08 o 0 4 -17 68.74 25.28 38.31 o 2 4 -17 50.16 127.41 41.31 o 4 4 -17 544.71 531.50 79.20 o 6 4 -17 353.82 372.77 70.55 o -1 5 -17 89.75 142.57 43.02 o 1 5 -17 113.17 262.49 48.82 o 3 5 -17 110.94 245.27 57.64 o 5 5 -17 191.14 349.95 64.36 o 0 6 -17 232.64 244.74 48.09 o 2 6 -17 342.71 430.57 77.40 o 4 6 -17 248.95 295.56 147.21 o 1 7 -17 108.08 96.91 51.15 o 3 7 -17 20.47 63.91 46.25 o 5 7 -17 302.22 363.88 69.64 o 2 8 -17 566.60 668.37 86.14 o 4 8 -17 66.89 132.46 51.69 o 3 9 -17 240.22 270.69 67.80 o -2 0 -16 229.79 262.65 87.29 o 0 0 -16 629.85 627.55 125.21 o 2 0 -16 1381.36 1761.32 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52.63 75.76 67.27 o 1 13 -15 13.19 -3.93 39.65 o 3 13 -15 189.50 229.51 58.78 o 5 13 -15 45.98 110.24 49.93 o 2 14 -15 256.17 390.35 73.12 o 4 14 -15 273.01 298.61 101.55 o -6 0 -14 78.87 123.88 73.27 o -4 0 -14 281.44 472.10 107.09 o -2 0 -14 207.24 145.74 67.05 o 0 0 -14 1402.44 1413.13 210.07 o 2 0 -14 2202.85 2142.88 154.42 o 4 0 -14 299.06 306.10 50.92 o 6 0 -14 1227.68 1153.58 74.98 o 8 0 -14 1077.87 1020.45 130.66 o 10 0 -14 1307.40 1403.09 168.37 o -5 1 -14 74.23 71.17 41.27 o -3 1 -14 157.01 211.57 39.60 o -1 1 -14 119.33 121.91 33.28 o 1 1 -14 717.54 781.01 49.14 o 3 1 -14 661.05 725.99 47.83 o 5 1 -14 256.19 311.00 30.21 o 7 1 -14 78.27 49.87 26.70 o 9 1 -14 21.98 57.06 103.71 o -6 2 -14 88.33 92.24 45.09 o -4 2 -14 199.77 211.90 44.13 o -2 2 -14 770.04 774.19 62.23 o 0 2 -14 968.81 922.79 67.57 o 2 2 -14 732.93 756.73 50.62 o 4 2 -14 715.70 770.90 48.25 o 6 2 -14 842.95 905.09 50.89 o 8 2 -14 956.48 1105.30 79.93 o 10 2 -14 814.55 943.87 164.74 o -5 3 -14 40.32 14.61 31.43 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