#------------------------------------------------------------------------------ #$Date: 2017-07-25 11:50:23 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199053 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/80/2108096.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_2108096 _cell_angle_alpha 90.000 _cell_angle_beta 101.085 _cell_angle_gamma 90.000 _cell_length_a 9.5892 _cell_length_b 17.1934 _cell_length_c 12.2412 _exptl_crystal_F_000 1624.00 _reflns_d_resolution_high 0.7759 _cod_data_source_file ao5022Isup2.hkl _cod_data_source_block I _shelx_title ' SIR92 run in space group P 1 21/n 1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 670.75 _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 67318.71 86534.78 2557.94 o 4 0 0 2375.99 2032.89 183.99 o 6 0 0 7200.26 5860.83 264.77 o 8 0 0 1746.52 1413.60 210.92 o 10 0 0 1141.13 906.50 435.30 o 12 0 0 6840.71 6349.98 789.82 o 1 1 0 71.38 76.29 17.95 o 2 1 0 1249.46 130.14 31.41 o 3 1 0 60506.42 52047.42 1063.57 o 4 1 0 5293.78 5605.04 157.07 o 5 1 0 58688.55 57683.87 1332.82 o 6 1 0 3371.34 4182.46 161.55 o 7 1 0 6154.83 6148.04 219.89 o 8 1 0 461.61 385.94 121.17 o 9 1 0 18337.09 18789.67 578.90 o 10 1 0 368.84 354.52 269.26 o 11 1 0 6344.71 6812.21 471.20 o 12 1 0 180.00 210.92 372.47 o 0 2 0 98658.66 79219.96 1543.74 o 1 2 0 6306.26 6336.52 130.14 o 2 2 0 49021.41 53380.24 928.94 o 3 2 0 24772.47 31696.06 614.80 o 4 2 0 26113.03 31018.43 682.12 o 5 2 0 81349.01 82285.02 1736.71 o 6 2 0 16677.07 17219.00 471.20 o 7 2 0 1768.84 1799.54 134.63 o 8 2 0 1488.50 1341.80 161.55 o 9 2 0 6746.46 6453.20 305.16 o 10 2 0 3138.89 2943.88 273.74 o 11 2 0 12.50 22.44 314.13 o 12 2 0 1866.79 1880.31 484.66 o 1 3 0 221.02 1270.00 44.88 o 2 3 0 51199.34 42286.85 740.46 o 3 3 0 45880.01 53303.95 884.06 o 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