#------------------------------------------------------------------------------ #$Date: 2022-01-28 04:36:10 +0200 (Fri, 28 Jan 2022) $ #$Revision: 272309 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/25/2022530.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_2022530 _cell_angle_alpha 87.217 _cell_angle_beta 89.232 _cell_angle_gamma 83.518 _cell_length_a 8.0300 _cell_length_b 10.1184 _cell_length_c 14.4723 _exptl_crystal_F_000 620.00 _reflns_d_resolution_high 0.8378 _cod_data_source_file lf3125px2sup3.hkl _cod_data_source_block px2 _shelx_title ' px2_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 304.96 _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 2 0 0 15536.73 16699.32 178.48 o 3 0 0 6960.31 7018.94 66.62 o 4 0 0 5269.40 5159.16 79.67 o 5 0 0 81.35 93.74 12.23 o 6 0 0 799.81 923.54 102.23 o 7 0 0 165.60 267.15 39.55 o 8 0 0 3.50 4.93 12.29 o 9 0 0 0.27 -1.28 56.45 o -9 1 0 26.88 -8.51 11.88 o -8 1 0 9.70 -18.92 17.31 o -7 1 0 99.50 112.64 25.83 o -6 1 0 369.04 357.69 21.35 o -5 1 0 212.05 184.96 14.58 o -4 1 0 708.43 721.51 29.10 o -3 1 0 4766.83 4897.26 37.05 o -2 1 0 6744.23 6983.94 128.74 o -1 1 0 3859.80 4255.53 44.39 o 2 1 0 467.30 448.28 12.36 o 3 1 0 3378.77 3495.94 35.51 o 4 1 0 753.19 763.78 20.49 o 5 1 0 435.00 441.32 33.12 o 6 1 0 1025.07 1025.65 56.63 o 7 1 0 303.47 338.54 43.94 o 8 1 0 12.03 1.17 11.57 o 9 1 0 389.87 452.44 46.12 o -9 2 0 17.69 -2.04 45.92 o -8 2 0 471.09 514.13 56.05 o -7 2 0 332.97 360.06 44.12 o -6 2 0 12.54 3.77 10.85 o -5 2 0 1367.22 1313.22 37.95 o -4 2 0 2293.92 2343.14 48.72 o -3 2 0 394.35 431.54 17.72 o -2 2 0 492.30 437.10 16.29 o -1 2 0 593.40 703.81 18.82 o 0 2 0 1430.01 1408.36 26.82 o 1 2 0 28.20 30.55 5.58 o 2 2 0 1604.19 1667.04 32.87 o 3 2 0 941.43 1014.03 24.33 o 4 2 0 210.88 228.01 13.29 o 5 2 0 1284.70 1331.52 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