#------------------------------------------------------------------------------ #$Date: 2020-02-12 08:19:13 +0200 (Wed, 12 Feb 2020) $ #$Revision: 248068 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/32/2243275.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_2243275 _cell_angle_alpha 90.000 _cell_angle_beta 95.808 _cell_angle_gamma 90.000 _cell_length_a 10.0731 _cell_length_b 3.7458 _cell_length_c 16.9805 _exptl_crystal_F_000 612.00 _reflns_d_resolution_high 0.7697 _cod_data_source_file wm5530Isup2.hkl _cod_data_source_block I _shelx_title ' friz40_a.res in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 344.56 _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 2 0 0 16064.30 14300.96 1502.66 o 3 0 0 13433.16 14523.80 1269.33 o 4 0 0 1697.31 1645.12 168.67 o 5 0 0 6609.90 7962.95 1335.79 o 6 0 0 13699.28 15624.46 2518.68 o 7 0 0 24341.02 28383.64 4380.09 o 8 0 0 13871.81 14714.22 2852.85 o 9 0 0 16463.32 17097.14 618.30 o 10 0 0 7491.92 7718.71 416.17 o 11 0 0 2889.70 2840.25 257.96 o 12 0 0 497.61 307.46 83.39 o 13 0 0 4.56 113.45 65.68 o 2 1 0 153.62 187.66 13.25 o 3 1 0 3405.84 3185.74 84.20 o 4 1 0 6792.10 6375.98 213.21 o 5 1 0 2707.47 2684.82 101.95 o 6 1 0 2278.32 2154.58 103.63 o 7 1 0 268.71 244.69 49.10 o 8 1 0 95.89 134.26 43.59 o 9 1 0 57.56 76.95 32.06 o 10 1 0 177.76 201.11 51.37 o 11 1 0 168.11 58.62 121.49 o 12 1 0 350.45 153.17 63.17 o 0 2 0 31965.71 31759.87 684.08 o 1 2 0 27043.66 27361.40 373.26 o 2 2 0 9744.85 9788.26 168.13 o 3 2 0 1288.75 1220.24 70.15 o 4 2 0 577.09 604.24 56.34 o 5 2 0 2249.70 2180.12 110.45 o 6 2 0 5212.81 4822.17 351.94 o 7 2 0 6241.25 6267.67 384.19 o 8 2 0 8002.04 7372.16 485.27 o 9 2 0 5248.02 4846.25 539.69 o 10 2 0 2533.53 2257.47 353.11 o 11 2 0 862.64 667.94 169.58 o 1 3 0 1842.79 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