#------------------------------------------------------------------------------ #$Date: 2020-06-06 08:28:19 +0300 (Sat, 06 Jun 2020) $ #$Revision: 252978 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/34/2243420.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_2243420 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 5.1245 _cell_length_b 12.0491 _cell_length_c 15.7118 _exptl_crystal_F_000 1184.00 _reflns_d_resolution_high 0.6201 _cod_data_source_file wm5562Isup2.hkl _cod_data_source_block I _shelx_title ' EL16_D426_DRX5_CH7a_a.res in P2(1)2(1)2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 406.98 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' 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 165632.55 170721.06 4294.77 o 4 0 0 129296.00 133850.62 3678.15 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4 0 2311.46 2544.89 93.11 o 8 4 0 1475.94 1526.03 92.72 o 1 5 0 2138.00 1903.28 41.62 o 2 5 0 384.08 373.43 16.40 o 3 5 0 500.49 518.96 21.53 o 4 5 0 2986.45 3079.63 71.53 o 5 5 0 3454.72 3433.07 91.02 o 6 5 0 460.26 497.00 39.99 o 7 5 0 824.64 854.17 54.90 o 0 6 0 559.75 528.58 25.65 o 1 6 0 15955.93 16209.08 263.95 o 2 6 0 9251.94 9515.88 194.16 o 3 6 0 1663.69 1704.49 43.67 o 4 6 0 3582.16 3550.23 80.96 o 5 6 0 1899.09 1825.16 56.96 o 6 6 0 5.26 53.64 24.92 o 7 6 0 437.91 501.99 52.38 o 1 7 0 106.20 130.99 11.11 o 2 7 0 1443.33 1576.91 40.65 o 3 7 0 20.55 50.40 13.86 o 4 7 0 3368.81 3582.19 82.04 o 5 7 0 499.39 536.84 35.03 o 6 7 0 477.69 578.68 45.30 o 7 7 0 121.84 162.57 41.48 o 0 8 0 5599.80 5804.85 142.75 o 1 8 0 13411.76 13473.34 224.24 o 2 8 0 204.84 292.19 33.46 o 3 8 0 1598.11 1744.55 48.66 o 4 8 0 1112.66 1227.73 46.69 o 5 8 0 4882.78 4844.91 124.45 o 6 8 0 5.44 30.73 29.26 o 7 8 0 78.91 145.39 41.79 o 1 9 0 393.62 381.71 16.97 o 2 9 0 26.49 116.24 15.54 o 3 9 0 1445.96 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60.70 o -1 3 1 22464.82 24061.49 421.12 o 0 3 1 3598.89 3575.97 76.93 o 1 3 1 23290.00 25337.92 481.72 o 2 3 1 2652.48 2869.43 58.03 o 3 3 1 32972.33 33500.82 643.08 o 4 3 1 5675.10 5534.31 119.51 o 5 3 1 10100.69 10004.44 224.34 o 6 3 1 2231.86 2296.10 72.44 o 7 3 1 9453.66 9938.00 224.25 o 8 3 1 2184.92 2480.06 154.07 o -8 4 1 806.05 804.58 65.93 o -7 4 1 2544.79 2646.64 93.32 o -6 4 1 3335.77 3376.89 90.95 o -5 4 1 2607.05 2528.81 72.33 o -4 4 1 4966.03 4880.15 109.80 o -3 4 1 13282.97 12864.22 243.27 o -2 4 1 21085.79 21561.84 426.56 o -1 4 1 8483.26 8207.59 150.51 o 0 4 1 21574.08 19655.03 357.18 o 1 4 1 9998.74 9888.93 180.19 o 2 4 1 21326.00 21794.01 407.00 o 3 4 1 11712.12 11221.24 229.91 o 4 4 1 4439.60 4376.70 97.88 o 5 4 1 2686.60 2554.28 65.24 o 6 4 1 2760.43 2745.26 86.88 o 7 4 1 2529.16 2670.78 102.60 o 8 4 1 594.64 665.10 67.58 o -7 5 1 570.65 647.67 47.16 o -6 5 1 363.42 379.29 36.25 o -5 5 1 278.35 315.42 26.83 o -4 5 1 1024.49 972.96 34.30 o -3 5 1 5887.43 5867.68 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