#------------------------------------------------------------------------------ #$Date: 2022-10-01 05:04:56 +0300 (Sat, 01 Oct 2022) $ #$Revision: 278297 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/41/2244190.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_2244190 _cell_angle_alpha 90.000 _cell_angle_beta 106.099 _cell_angle_gamma 90.000 _cell_length_a 13.3674 _cell_length_b 19.9658 _cell_length_c 16.9192 _exptl_crystal_F_000 2048.00 _reflns_d_resolution_high 0.8107 _cod_data_source_file zq22641sup2.hkl _cod_data_source_block 1 _shelx_title ' F:\BL02e2u_02_a.res in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 882.16 _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 6244.24 6703.23 278.31 o 4 0 0 191261.09 195412.05 3300.88 o 6 0 0 121677.66 130843.99 1200.59 o 8 0 0 16650.54 16125.23 218.45 o 10 0 0 33717.50 35611.99 456.11 o 12 0 0 1168.26 1045.75 109.10 o 14 0 0 2662.76 2764.63 159.48 o 2 1 0 19618.01 21153.38 311.03 o 3 1 0 20287.73 21473.22 314.84 o 4 1 0 118.71 109.55 67.03 o 5 1 0 2342.35 2181.00 85.66 o 6 1 0 657.98 553.53 70.48 o 7 1 0 23591.11 23513.45 181.42 o 8 1 0 3299.02 3462.70 97.28 o 9 1 0 4254.90 4404.56 102.04 o 10 1 0 730.41 734.35 76.50 o 11 1 0 961.54 938.45 77.20 o 12 1 0 173.75 201.82 80.00 o 13 1 0 983.86 855.06 86.11 o 14 1 0 777.46 840.15 98.63 o 15 1 0 58.59 61.60 91.88 o 1 2 0 9209.73 9372.81 260.11 o 2 2 0 244.44 225.39 37.08 o 3 2 0 4390.88 4105.63 111.46 o 4 2 0 607.24 633.71 68.98 o 5 2 0 21786.95 19745.54 189.77 o 6 2 0 132.39 85.78 56.95 o 7 2 0 12760.48 12200.10 128.28 o 8 2 0 166.21 163.87 69.31 o 9 2 0 857.93 840.87 71.89 o 10 2 0 58.49 47.89 71.82 o 11 2 0 2475.34 2591.69 84.33 o 12 2 0 711.93 898.30 91.75 o 13 2 0 5803.74 5792.68 122.37 o 14 2 0 1456.11 1235.02 101.25 o 15 2 0 38.01 6.52 103.95 o 1 3 0 868.46 858.26 60.12 o 2 3 0 33885.79 33522.05 261.80 o 3 3 0 8819.02 9666.89 143.58 o 4 3 0 18500.28 17529.95 162.61 o 5 3 0 5239.75 5645.54 105.75 o 6 3 0 11709.07 11752.68 131.27 o 7 3 0 1857.60 1963.80 72.36 o 8 3 0 6702.28 6650.33 105.93 o 9 3 0 4707.03 4708.27 91.63 o 10 3 0 2255.50 2280.70 78.12 o 11 3 0 89.55 133.71 72.37 o 12 3 0 1429.17 1381.31 90.63 o 13 3 0 2.54 130.56 90.71 o 14 3 0 666.37 630.06 102.51 o 15 3 0 66.89 35.67 104.93 o 0 4 0 90285.67 94094.45 1441.99 o 1 4 0 178.79 159.67 45.25 o 2 4 0 72771.70 72473.56 481.83 o 3 4 0 1134.31 1088.22 69.33 o 4 4 0 12068.52 11396.26 138.53 o 5 4 0 1283.29 1197.51 71.42 o 6 4 0 20620.59 18648.84 157.23 o 7 4 0 1112.54 1163.79 62.25 o 8 4 0 1266.02 1324.40 79.03 o 9 4 0 53.70 33.30 68.47 o 10 4 0 3288.02 3401.19 90.50 o 11 4 0 309.32 426.50 80.38 o 12 4 0 17013.32 17056.32 242.20 o 13 4 0 1621.33 1441.48 119.22 o 14 4 0 1.22 80.24 123.73 o 15 4 0 22.24 -4.67 126.69 o 1 5 0 6432.89 6987.61 131.97 o 2 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5131.05 87.74 o 5 7 0 10125.24 10463.77 117.36 o 6 7 0 34988.60 34680.67 455.14 o 7 7 0 3246.15 3287.89 112.59 o 8 7 0 14970.99 14834.38 159.52 o 9 7 0 929.29 979.67 97.73 o 10 7 0 327.04 310.05 90.21 o 11 7 0 417.28 635.68 93.64 o 12 7 0 750.51 758.27 102.69 o 13 7 0 816.88 705.41 92.88 o 14 7 0 889.95 966.23 143.75 o 15 7 0 352.68 174.11 143.95 o 0 8 0 16388.25 15220.45 194.69 o 1 8 0 1294.85 1280.35 68.26 o 2 8 0 936.34 950.75 67.90 o 3 8 0 2666.87 2689.31 86.13 o 4 8 0 232.46 235.68 47.65 o 5 8 0 7189.78 6979.76 96.87 o 6 8 0 2327.59 2113.75 85.39 o 7 8 0 2931.22 2948.04 99.89 o 8 8 0 8348.33 8799.41 169.30 o 9 8 0 505.02 429.12 98.78 o 10 8 0 6089.10 6517.03 167.79 o 11 8 0 100.55 26.60 88.49 o 12 8 0 118.47 40.17 105.70 o 13 8 0 1132.10 949.92 185.28 o 14 8 0 480.35 605.75 135.06 o 1 9 0 520.83 453.90 57.36 o 2 9 0 14582.78 14351.82 237.21 o 3 9 0 10514.45 9974.72 152.05 o 4 9 0 6076.88 5809.12 110.20 o 5 9 0 1936.54 1822.36 76.66 o 6 9 0 32.92 55.69 65.10 o 7 9 0 211.25 328.74 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609.96 608.79 89.89 o 12 11 0 2853.31 3002.36 123.96 o 13 11 0 192.94 261.01 105.94 o 14 11 0 3097.16 2732.29 111.07 o 0 12 0 121.58 128.73 86.80 o 1 12 0 710.35 706.95 63.11 o 2 12 0 394.69 372.70 78.65 o 3 12 0 5815.95 5928.41 115.77 o 4 12 0 1327.92 1475.23 75.47 o 5 12 0 1602.70 1718.62 74.97 o 6 12 0 32.37 42.39 63.67 o 7 12 0 26.13 -0.06 88.11 o 8 12 0 1434.05 1618.99 92.46 o 9 12 0 690.80 667.06 120.79 o 10 12 0 159.00 194.18 88.29 o 11 12 0 1142.06 1078.24 124.51 o 12 12 0 252.00 171.42 81.22 o 13 12 0 990.92 892.02 196.12 o 1 13 0 7928.14 7473.22 101.81 o 2 13 0 4458.03 4358.55 104.16 o 3 13 0 195.41 176.64 69.48 o 4 13 0 3447.96 3458.25 179.04 o 5 13 0 137.01 254.74 74.86 o 6 13 0 806.41 866.53 80.87 o 7 13 0 144.21 93.59 73.65 o 8 13 0 3493.49 3563.92 102.88 o 9 13 0 3684.98 3837.97 137.04 o 10 13 0 473.82 408.64 90.31 o 11 13 0 747.20 705.15 105.02 o 12 13 0 1429.31 1374.98 105.85 o 13 13 0 99.88 -36.76 112.85 o 0 14 0 8831.02 8084.55 250.79 o 1 14 0 5486.96 5320.31 155.68 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