#------------------------------------------------------------------------------ #$Date: 2021-04-10 07:47:18 +0300 (Sat, 10 Apr 2021) $ #$Revision: 264029 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/23/2022356.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_2022356 _cell_angle_alpha 90.000 _cell_angle_beta 95.505 _cell_angle_gamma 90.000 _cell_length_a 9.0572 _cell_length_b 10.6773 _cell_length_c 26.7430 _exptl_crystal_F_000 1560.00 _reflns_d_resolution_high 0.7683 _cod_data_source_file ov31462sup3.hkl _cod_data_source_block 2 _shelx_title ' p2n-1_a.res in P2/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 451.39 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y, -z+1/2' '-x, -y, -z' 'x-1/2, -y, 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 0 685.98 791.38 11.40 o 4 0 0 120938.64 118102.73 487.67 o 6 0 0 15991.59 16190.24 118.50 o 8 0 0 2360.78 2334.16 116.95 o 10 0 0 6416.21 6818.24 297.98 o 1 1 0 16375.76 17200.65 43.91 o 2 1 0 50777.68 50418.06 141.44 o 3 1 0 12324.07 12663.41 62.96 o 4 1 0 9581.29 9280.67 47.22 o 5 1 0 10885.11 10228.91 52.68 o 6 1 0 226.51 245.32 27.20 o 7 1 0 1175.74 1004.14 39.86 o 8 1 0 6883.99 6750.19 63.18 o 9 1 0 78.26 149.62 91.06 o 10 1 0 421.40 406.17 117.14 o 11 1 0 1230.60 1299.20 144.11 o 0 2 0 66347.53 66014.58 413.47 o 1 2 0 2189.29 2037.28 10.89 o 2 2 0 29983.21 30677.90 87.42 o 3 2 0 34230.76 32967.72 77.16 o 4 2 0 4786.03 4693.55 33.73 o 5 2 0 4441.87 4650.95 54.42 o 6 2 0 1141.80 1109.15 53.21 o 7 2 0 8782.62 8593.94 111.58 o 8 2 0 275.44 340.59 89.41 o 9 2 0 0.65 60.33 92.81 o 10 2 0 122.84 269.41 125.36 o 11 2 0 67.45 55.71 142.09 o 0 3 0 102.02 114.25 15.74 o 1 3 0 3541.64 3778.37 19.85 o 2 3 0 5575.87 5256.64 21.91 o 3 3 0 5649.76 5436.99 22.66 o 4 3 0 3719.95 3508.85 39.62 o 5 3 0 3090.20 3196.01 64.08 o 6 3 0 1168.61 1248.73 56.80 o 7 3 0 586.06 596.63 70.21 o 8 3 0 6761.81 6793.56 141.60 o 9 3 0 77.59 162.05 102.17 o 10 3 0 1031.11 887.08 111.63 o 11 3 0 486.08 616.71 156.24 o 0 4 0 15673.46 15067.77 96.27 o 1 4 0 3962.98 3999.00 14.82 o 2 4 0 369.28 442.49 18.01 o 3 4 0 164.19 117.32 11.92 o 4 4 0 54.79 99.12 19.60 o 5 4 0 17304.11 17633.39 135.53 o 6 4 0 1151.99 1248.87 86.00 o 7 4 0 209.20 230.49 67.34 o 8 4 0 351.30 527.69 83.43 o 9 4 0 700.17 605.09 100.13 o 10 4 0 182.10 167.77 122.71 o 11 4 0 4.85 92.42 153.20 o 0 5 0 5174.51 5080.04 59.28 o 1 5 0 22059.17 21387.56 53.42 o 2 5 0 6146.57 6069.54 25.96 o 3 5 0 10101.31 9968.68 23.78 o 4 5 0 17082.61 16814.38 55.78 o 5 5 0 3321.57 3286.31 61.92 o 6 5 0 1664.20 1771.36 66.56 o 7 5 0 973.20 1136.07 77.03 o 8 5 0 9366.70 9194.35 157.35 o 9 5 0 130.83 189.91 110.76 o 10 5 0 649.12 621.66 138.94 o 0 6 0 39.10 48.06 38.45 o 1 6 0 17573.55 16939.30 64.78 o 2 6 0 6776.92 6232.83 24.99 o 3 6 0 34473.64 32832.89 87.74 o 4 6 0 2.16 23.11 30.69 o 5 6 0 2489.11 2520.85 26.31 o 6 6 0 1293.94 1234.70 61.88 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820.67 73.61 o 8 2 1 723.92 758.14 86.00 o 9 2 1 3915.72 4021.07 136.97 o 10 2 1 1254.58 1345.34 125.73 o 11 2 1 772.75 917.32 153.73 o -11 3 1 350.01 512.64 156.66 o -10 3 1 611.36 619.63 121.95 o -9 3 1 777.39 767.48 101.00 o -8 3 1 1945.69 2012.82 114.14 o -7 3 1 1224.93 1099.68 71.34 o -6 3 1 11177.23 10739.52 108.73 o -5 3 1 25650.12 25391.55 187.46 o -4 3 1 697.33 679.47 28.09 o -3 3 1 6510.94 6230.83 18.48 o -2 3 1 15665.65 15504.81 44.06 o -1 3 1 55344.89 55609.05 155.57 o 0 3 1 3078.73 2956.33 18.80 o 1 3 1 18583.02 17743.31 42.21 o 2 3 1 21057.27 22050.12 80.16 o 3 3 1 1278.88 1107.78 12.32 o 4 3 1 2359.05 2436.82 33.07 o 5 3 1 577.24 659.44 41.20 o 6 3 1 643.06 763.45 51.35 o 7 3 1 8125.47 8082.37 122.33 o 8 3 1 18.91 215.82 87.03 o 9 3 1 165.55 168.12 101.93 o 10 3 1 188.10 125.35 119.82 o 11 3 1 439.47 590.72 143.77 o -11 4 1 354.52 311.63 155.49 o -10 4 1 521.33 694.70 124.70 o -9 4 1 684.97 743.11 106.48 o -8 4 1 1173.58 1189.47 99.12 o -7 4 1 2273.59 2266.38 70.81 o -6 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