#------------------------------------------------------------------------------ #$Date: 2021-09-11 04:56:19 +0300 (Sat, 11 Sep 2021) $ #$Revision: 269097 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/24/2022440.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_2022440 _cell_angle_alpha 83.922 _cell_angle_beta 76.598 _cell_angle_gamma 69.092 _cell_length_a 7.1432 _cell_length_b 7.8452 _cell_length_c 13.7688 _exptl_crystal_F_000 468.00 _reflns_d_resolution_high 0.7478 _cod_data_source_file vp30213sup4.hkl _cod_data_source_block 3 _shelx_title ' d8-5309_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 192.45 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -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 1 0 0 2324.52 2303.90 20.90 o 2 0 0 16547.78 16886.29 145.58 o 3 0 0 643.94 635.10 15.05 o 4 0 0 0.64 2.00 1.67 o 5 0 0 6268.80 6249.82 84.42 o 6 0 0 2580.21 2612.91 51.05 o 7 0 0 108.91 105.46 12.79 o 8 0 0 132.14 97.94 15.15 o -8 1 0 36.25 20.58 6.60 o -7 1 0 1470.90 1414.89 36.54 o -6 1 0 5650.11 5598.21 83.01 o -5 1 0 19.47 19.21 4.25 o -4 1 0 1947.18 1988.34 27.73 o -3 1 0 63.60 65.62 3.97 o -2 1 0 9548.71 9424.62 105.91 o -1 1 0 16722.12 16351.26 229.03 o 0 1 0 1032.75 1040.65 15.52 o 1 1 0 1263.15 1219.21 15.86 o 2 1 0 52.53 69.49 3.94 o 3 1 0 367.56 352.23 11.26 o 4 1 0 19362.04 19245.88 211.96 o 5 1 0 1926.34 1918.65 37.56 o 6 1 0 848.69 851.49 25.05 o 7 1 0 200.60 198.65 17.39 o 8 1 0 7.31 -1.91 5.98 o -7 2 0 2371.54 2344.20 58.62 o -6 2 0 153.88 163.61 11.77 o -5 2 0 1337.12 1369.91 25.98 o -4 2 0 495.52 500.28 11.92 o -3 2 0 1358.29 1311.81 20.79 o -2 2 0 24073.07 23433.85 240.29 o -1 2 0 1000.62 1087.58 15.10 o 0 2 0 11430.34 11385.02 123.74 o 1 2 0 2398.19 2384.58 43.73 o 2 2 0 3853.16 3730.17 49.40 o 3 2 0 11274.54 10899.60 121.57 o 4 2 0 857.80 790.44 20.19 o 5 2 0 723.55 754.01 24.68 o 6 2 0 165.21 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