#------------------------------------------------------------------------------ #$Date: 2020-11-07 07:18:04 +0200 (Sat, 07 Nov 2020) $ #$Revision: 259030 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/36/2243673.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_2243673 _cell_angle_alpha 90.000 _cell_angle_beta 95.393 _cell_angle_gamma 90.000 _cell_length_a 7.9102 _cell_length_b 21.0833 _cell_length_c 16.7519 _exptl_crystal_F_000 1528.00 _reflns_d_resolution_high 0.7700 _cod_data_source_file pk26502sup3.hkl _cod_data_source_block 2 _shelx_title ' 160214_off1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 550.22 _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 15441.32 15764.07 144.57 o 4 0 0 8174.70 7656.25 132.95 o 6 0 0 17285.64 18459.50 297.70 o 8 0 0 4457.21 4945.15 362.78 o 10 0 0 2376.01 2342.59 243.66 o 2 1 0 76757.54 77218.31 573.93 o 3 1 0 3126.55 2808.56 37.88 o 4 1 0 2292.57 2560.89 49.88 o 5 1 0 2658.30 2305.31 56.33 o 6 1 0 15610.00 15068.29 183.81 o 7 1 0 6958.67 6910.03 147.63 o 8 1 0 7276.56 7097.57 168.34 o 9 1 0 6.90 -3.65 49.58 o 10 1 0 1760.08 1566.15 285.28 o 1 2 0 53375.98 55451.04 360.30 o 2 2 0 134.51 97.22 11.79 o 3 2 0 6204.94 6068.96 60.33 o 4 2 0 10084.27 10069.62 107.03 o 5 2 0 13709.75 14501.54 158.22 o 6 2 0 9905.37 9367.15 139.94 o 7 2 0 140.36 128.99 47.62 o 8 2 0 1254.73 1161.11 84.66 o 9 2 0 5417.71 5251.63 227.65 o 10 2 0 378.10 426.56 109.80 o 1 3 0 31624.72 30919.21 180.49 o 2 3 0 6581.19 5770.77 48.08 o 3 3 0 40594.18 42464.81 323.98 o 4 3 0 591.90 854.09 33.52 o 5 3 0 398.20 316.08 34.28 o 6 3 0 3112.13 3020.95 84.29 o 7 3 0 28279.19 28414.21 349.57 o 8 3 0 660.92 728.92 82.55 o 9 3 0 661.34 742.16 103.00 o 10 3 0 83.97 49.06 72.61 o 0 4 0 15535.67 16763.43 130.87 o 1 4 0 34169.96 34947.76 217.49 o 2 4 0 505.98 567.45 29.77 o 3 4 0 4172.31 4078.63 51.12 o 4 4 0 1360.16 1151.90 39.82 o 5 4 0 30451.22 28667.25 286.85 o 6 4 0 324.01 171.50 40.21 o 7 4 0 849.20 848.87 71.60 o 8 4 0 411.09 506.63 76.51 o 9 4 0 6567.95 6764.19 205.30 o 10 4 0 2715.12 2889.20 197.74 o 1 5 0 518.36 578.86 20.65 o 2 5 0 6697.14 6453.95 54.71 o 3 5 0 14007.98 16353.71 159.37 o 4 5 0 2910.82 3105.33 57.77 o 5 5 0 2463.57 2795.18 68.21 o 6 5 0 8093.52 7938.07 126.79 o 7 5 0 5140.84 5393.68 130.68 o 8 5 0 3098.88 3043.99 122.34 o 9 5 0 201.78 213.44 73.83 o 10 5 0 471.20 354.78 110.60 o 0 6 0 32278.78 29468.94 274.73 o 1 6 0 4281.99 4421.87 39.32 o 2 6 0 749.34 663.92 27.55 o 3 6 0 1457.51 1702.33 52.19 o 4 6 0 48090.27 48633.48 427.87 o 5 6 0 1581.51 1509.53 55.48 o 6 6 0 5442.72 5095.15 102.31 o 7 6 0 272.56 245.09 49.45 o 8 6 0 5107.06 5246.73 143.83 o 9 6 0 473.95 466.26 96.65 o 1 7 0 9845.71 9190.01 69.24 o 2 7 0 42023.83 45495.51 352.59 o 3 7 0 4703.95 5324.25 63.97 o 4 7 0 7655.72 6269.02 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51.69 o 3 18 0 278.13 264.20 41.75 o 4 18 0 8924.69 8613.89 141.59 o 5 18 0 6493.65 6608.15 146.51 o 6 18 0 1254.76 1129.45 103.99 o 7 18 0 59.70 77.30 61.48 o 1 19 0 49.48 61.48 32.26 o 2 19 0 12562.89 12398.76 177.16 o 3 19 0 1203.53 1334.48 72.26 o 4 19 0 2264.40 2420.98 82.94 o 5 19 0 408.10 523.27 67.27 o 6 19 0 5826.87 5678.92 163.37 o 7 19 0 1504.90 1744.17 152.63 o 0 20 0 6258.65 6783.79 182.00 o 1 20 0 8.04 12.78 33.95 o 2 20 0 1509.74 1696.81 81.03 o 3 20 0 313.30 278.32 54.74 o 4 20 0 11680.49 12263.09 205.17 o 5 20 0 374.63 331.05 71.75 o 6 20 0 1262.05 856.15 165.02 o 1 21 0 1474.00 1571.21 77.69 o 2 21 0 6736.47 7501.22 141.72 o 3 21 0 6590.09 6756.65 148.46 o 4 21 0 1391.89 1433.61 80.05 o 5 21 0 233.15 127.44 60.31 o 6 21 0 2242.91 2502.15 173.07 o 0 22 0 3457.97 3648.68 161.50 o 1 22 0 5521.29 5813.01 142.03 o 2 22 0 1596.04 1424.92 86.16 o 3 22 0 1613.19 1634.53 82.21 o 4 22 0 2310.83 2522.79 134.66 o 5 22 0 5933.80 6008.86 213.01 o 6 22 0 301.37 238.34 101.00 o 1 23 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