#------------------------------------------------------------------------------ #$Date: 2017-07-25 12:27:26 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199121 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/08/2020830.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_2020830 _cell_angle_alpha 90.000 _cell_angle_beta 98.499 _cell_angle_gamma 90.000 _cell_length_a 8.0209 _cell_length_b 14.5364 _cell_length_c 25.0008 _exptl_crystal_F_000 1536.00 _reflns_d_resolution_high 0.8547 _cod_data_source_file hb7646Isup2.hkl _cod_data_source_block I _shelx_title ' 4brba6a.res in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 415.78 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_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 11632.93 19213.56 1384.09 o 6 0 0 3393.11 3966.92 171.02 o 8 0 0 1597.79 1622.50 74.42 o 1 1 0 3812.33 5309.53 156.17 o 2 1 0 118.76 403.16 34.95 o 3 1 0 596.53 827.05 49.36 o 4 1 0 3456.78 3605.46 123.02 o 5 1 0 5385.16 5437.77 134.20 o 6 1 0 17364.24 17548.41 515.54 o 7 1 0 662.44 706.33 43.15 o 8 1 0 780.69 764.23 27.56 o 9 1 0 529.95 473.52 25.43 o 1 2 0 11464.24 12807.41 656.55 o 2 2 0 161.21 136.63 8.07 o 3 2 0 215.16 170.74 16.47 o 4 2 0 560.20 635.54 32.30 o 5 2 0 1952.92 1877.66 51.94 o 6 2 0 9.34 21.46 5.15 o 7 2 0 1880.57 1995.59 69.65 o 8 2 0 0.79 3.35 4.40 o 9 2 0 382.61 317.39 18.97 o 1 3 0 993.53 784.04 51.35 o 2 3 0 1.91 47.43 12.48 o 3 3 0 2345.93 3273.55 263.36 o 4 3 0 1.20 11.50 3.94 o 5 3 0 19938.20 19256.00 462.14 o 6 3 0 2.51 16.79 4.72 o 7 3 0 565.08 582.72 20.77 o 8 3 0 2225.31 2128.03 73.33 o 9 3 0 288.91 269.60 33.70 o 0 4 0 172874.00 66642.67 4772.47 o 1 4 0 17521.75 18050.54 1044.08 o 2 4 0 15209.79 16327.85 832.19 o 3 4 0 374.59 303.74 30.55 o 4 4 0 1977.72 1729.23 47.85 o 5 4 0 6340.76 5982.00 155.76 o 6 4 0 70.70 101.80 7.51 o 7 4 0 708.58 846.17 32.89 o 8 4 0 58.32 60.38 6.88 o 1 5 0 9482.37 9314.31 486.66 o 2 5 0 11243.79 11256.27 584.17 o 3 5 0 26.92 96.79 25.59 o 4 5 0 242.88 264.38 9.83 o 5 5 0 427.90 440.21 17.00 o 6 5 0 8936.10 9307.80 255.37 o 7 5 0 315.80 347.18 15.60 o 8 5 0 329.22 348.47 16.38 o 1 6 0 1644.18 1663.73 104.13 o 2 6 0 2791.29 2939.55 168.55 o 3 6 0 480.92 426.18 15.91 o 4 6 0 4924.99 4581.83 120.10 o 5 6 0 330.23 368.74 13.99 o 6 6 0 3357.19 3588.18 101.35 o 7 6 0 295.58 289.18 13.63 o 8 6 0 538.11 466.20 21.98 o 1 7 0 5829.62 5248.79 291.24 o 2 7 0 11545.70 10560.48 387.47 o 3 7 0 213.73 204.29 10.77 o 4 7 0 301.57 333.65 13.70 o 5 7 0 2040.70 2012.30 79.15 o 6 7 0 4154.25 4284.42 142.54 o 7 7 0 53.68 67.45 9.37 o 8 7 0 2448.22 2287.28 98.96 o 0 8 0 684.27 944.73 98.60 o 1 8 0 7454.69 7096.43 221.05 o 2 8 0 8784.54 7875.55 240.31 o 3 8 0 2792.99 2993.83 103.86 o 4 8 0 518.29 512.98 20.50 o 5 8 0 5153.07 4913.13 209.22 o 6 8 0 25.76 34.49 6.69 o 7 8 0 2448.76 2660.78 125.93 o 8 8 0 16.13 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