#------------------------------------------------------------------------------ #$Date: 2019-06-15 07:10:02 +0300 (Sat, 15 Jun 2019) $ #$Revision: 215998 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/84/2108423.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_2108423 _cell_angle_alpha 90.000 _cell_angle_beta 114.745 _cell_angle_gamma 90.000 _cell_length_a 17.5108 _cell_length_b 13.8088 _cell_length_c 18.9150 _exptl_crystal_F_000 1896.00 _reflns_d_resolution_high 0.7698 _cod_data_source_file aw50264sup5.hkl _cod_data_source_block 4 _shelx_title ' DV107A2 in I2/a' _shelx_refln_list_code 4 _shelx_f_calc_maximum 576.21 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y, -z' 'x+1/2, y+1/2, z+1/2' '-x+1, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y, z' '-x+1/2, -y+1/2, -z+1/2' '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 4 0 0 121752.66 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0 9598.52 10050.14 334.95 o 11 3 0 9224.20 9057.44 304.09 o 13 3 0 3856.44 3461.69 219.43 o 15 3 0 9839.88 9883.17 666.43 o 17 3 0 2256.00 2033.86 327.97 o 19 3 0 634.28 782.19 207.19 o 0 4 0 31351.56 31201.40 749.63 o 2 4 0 6323.74 6592.94 191.06 o 4 4 0 82487.67 88444.53 861.06 o 6 4 0 23.92 22.91 24.42 o 8 4 0 815.00 981.65 104.91 o 10 4 0 47.32 21.12 16.45 o 12 4 0 4.11 -4.14 23.96 o 14 4 0 145.04 70.47 65.66 o 16 4 0 394.14 293.52 115.50 o 18 4 0 94.94 71.12 57.06 o 20 4 0 0.50 -69.93 102.08 o 1 5 0 730.89 917.78 61.79 o 3 5 0 11544.18 11109.75 280.16 o 5 5 0 5098.95 5472.67 221.86 o 7 5 0 23231.65 25110.25 491.74 o 9 5 0 12.28 13.72 37.15 o 11 5 0 2016.58 2345.65 147.23 o 13 5 0 130.55 53.76 51.73 o 15 5 0 13622.41 14202.29 814.79 o 17 5 0 25.47 -17.62 170.25 o 19 5 0 53.73 18.09 58.78 o 0 6 0 1701.12 2203.86 170.06 o 2 6 0 325.50 265.66 44.18 o 4 6 0 237.91 437.64 60.21 o 6 6 0 873.00 839.68 124.21 o 8 6 0 25440.12 27436.07 788.90 o 10 6 0 16.03 7.39 57.84 o 12 6 0 11647.88 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