#------------------------------------------------------------------------------ #$Date: 2020-04-21 06:11:03 +0300 (Tue, 21 Apr 2020) $ #$Revision: 250980 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/20/2022097.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_2022097 _cell_angle_alpha 90.000 _cell_angle_beta 112.052 _cell_angle_gamma 90.000 _cell_length_a 9.0191 _cell_length_b 26.8050 _cell_length_c 9.5664 _exptl_crystal_F_000 1184.00 _reflns_d_resolution_high 0.7728 _cod_data_source_file fn33327_eb945_a_twsup8.hkl _cod_data_source_block 7_eb945_a_tw _shelx_title ' eb945_a.res in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 396.46 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -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 1 0 0 87525.70 93555.05 2444.76 o 2 0 0 5338.40 5751.05 156.46 o 3 0 0 17481.16 19320.58 596.21 o 4 0 0 1658.94 1595.29 93.15 o 5 0 0 5693.48 5931.74 170.42 o 6 0 0 233.16 310.02 36.59 o 7 0 0 20546.45 20154.18 659.13 o 8 0 0 22941.29 22685.78 761.88 o 9 0 0 963.17 1082.71 113.27 o 10 0 0 3856.96 4468.74 722.79 o 1 1 0 431.02 509.37 12.86 o 2 1 0 6808.61 7442.29 141.50 o 3 1 0 52057.22 55111.55 1020.95 o 4 1 0 23496.59 23200.81 435.60 o 5 1 0 16172.62 16989.73 323.33 o 6 1 0 281.94 368.93 20.87 o 7 1 0 2326.56 2633.75 64.37 o 8 1 0 2063.42 2183.79 83.74 o 9 1 0 2406.59 2278.99 83.89 o 10 1 0 4252.48 4253.11 225.73 o 0 2 0 54.76 41.44 4.50 o 1 2 0 11309.72 12043.41 224.23 o 2 2 0 35302.89 37981.07 703.87 o 3 2 0 18095.59 18021.59 338.35 o 4 2 0 1700.34 2462.58 58.86 o 5 2 0 32274.48 34091.93 638.05 o 6 2 0 22122.63 21863.94 445.26 o 7 2 0 2509.33 2281.09 57.71 o 8 2 0 96.15 247.45 20.52 o 9 2 0 0.52 87.04 22.72 o 10 2 0 1275.68 1362.55 67.97 o 1 3 0 17278.33 18821.26 374.83 o 2 3 0 39942.07 43230.26 800.32 o 3 3 0 9632.41 9730.18 186.59 o 4 3 0 6987.12 7020.05 138.44 o 5 3 0 348.27 287.55 17.52 o 6 3 0 2285.57 2256.92 54.91 o 7 3 0 816.26 890.51 32.43 o 8 3 0 2361.49 2595.51 88.89 o 9 3 0 6075.32 5949.60 259.67 o 10 3 0 2601.08 2486.25 126.83 o 0 4 0 214.76 236.04 14.41 o 1 4 0 48038.59 51796.90 1106.19 o 2 4 0 0.31 175.68 10.26 o 3 4 0 7277.51 8030.39 154.96 o 4 4 0 961.88 1172.90 31.23 o 5 4 0 113.67 188.99 16.17 o 6 4 0 5888.94 5915.32 122.33 o 7 4 0 17645.31 17723.19 419.93 o 8 4 0 11618.46 11326.12 226.38 o 9 4 0 1084.82 1303.39 59.76 o 10 4 0 707.63 999.08 77.98 o 1 5 0 2063.23 2041.90 48.95 o 2 5 0 669.95 939.76 22.17 o 3 5 0 50433.24 54061.12 1001.83 o 4 5 0 84495.66 86938.77 1609.20 o 5 5 0 11323.61 10693.62 208.46 o 6 5 0 2865.49 3455.55 110.46 o 7 5 0 6573.92 6691.67 186.69 o 8 5 0 489.71 443.10 28.08 o 9 5 0 286.74 277.63 32.03 o 10 5 0 1291.40 1316.25 85.09 o 0 6 0 13643.02 14259.93 376.89 o 1 6 0 22362.53 23825.40 512.83 o 2 6 0 39057.69 41144.62 816.14 o 3 6 0 7424.38 7390.98 143.90 o 4 6 0 2589.78 3296.78 86.79 o 5 6 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