#------------------------------------------------------------------------------ #$Date: 2016-10-22 04:02:43 +0300 (Sat, 22 Oct 2016) $ #$Revision: 187492 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/18/2241894.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_2241894 _cell_angle_alpha 90.000 _cell_angle_beta 94.426 _cell_angle_gamma 90.000 _cell_length_a 23.9836 _cell_length_b 7.3271 _cell_length_c 22.6809 _exptl_crystal_F_000 1768.00 _reflns_d_resolution_high 0.7700 _cod_data_source_file wm5330Isup2.hkl _cod_data_source_block I _shelx_title ' abc in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 395.63 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -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 -8 2 -27 496.77 492.37 120.55 o -6 2 -27 572.30 632.32 132.63 o 4 2 -27 159.32 102.10 99.56 o 6 2 -27 628.85 712.47 127.23 o 8 2 -27 155.90 191.48 110.37 o 10 2 -27 400.80 382.64 126.91 o 12 2 -27 232.80 94.47 121.18 o -5 3 -27 47.91 41.17 72.05 o -3 3 -27 509.39 471.23 84.86 o -1 3 -27 246.13 306.56 79.95 o 1 3 -27 1657.86 1749.77 127.18 o 3 3 -27 1163.28 1152.06 100.73 o 5 3 -27 577.36 566.35 87.90 o 7 3 -27 74.61 49.43 80.08 o 9 3 -27 804.24 684.17 137.72 o 11 1 -26 2577.97 2802.19 194.02 o 13 1 -26 1105.86 1014.00 137.09 o 15 1 -26 4360.26 4359.46 225.51 o -10 2 -26 91.31 -18.77 100.19 o -8 2 -26 1102.01 1218.20 143.13 o -6 2 -26 1432.88 1470.43 164.12 o -4 2 -26 1355.80 1479.02 163.49 o -2 2 -26 3281.33 3428.30 149.52 o 0 2 -26 1982.75 1931.16 115.14 o 2 2 -26 3795.04 4013.80 152.55 o 4 2 -26 1307.08 1359.11 156.49 o 6 2 -26 3051.86 2930.37 187.66 o 8 2 -26 2286.64 1954.53 187.34 o 10 2 -26 7288.61 6940.27 253.50 o 12 2 -26 480.27 437.35 129.14 o 14 2 -26 2112.43 2138.06 206.74 o -7 3 -26 213.07 229.18 76.98 o -5 3 -26 3591.81 3782.39 148.44 o -3 3 -26 156.58 97.15 72.14 o -1 3 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