#------------------------------------------------------------------------------ #$Date: 2020-09-12 08:17:34 +0300 (Sat, 12 Sep 2020) $ #$Revision: 256389 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/55/90/1559075.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_1559075 _cell_angle_alpha 70.673 _cell_angle_beta 82.880 _cell_angle_gamma 80.464 _cell_length_a 7.7251 _cell_length_b 12.7208 _cell_length_c 14.6088 _exptl_crystal_F_000 746.00 _reflns_d_resolution_high 0.8215 _cod_data_source_file hb4360Isup3.hkl _cod_data_source_block I _shelx_title ' 1_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 228.87 _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 1449.86 1522.34 13.54 o 2 0 0 3282.38 3437.57 110.06 o 3 0 0 59.42 67.05 17.52 o 4 0 0 3255.22 3426.37 40.40 o 5 0 0 380.42 352.35 11.94 o 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876.33 28.61 o 4 2 0 4567.93 4789.05 27.40 o 5 2 0 1848.27 1859.96 27.18 o 6 2 0 264.41 266.18 20.28 o 7 2 0 76.98 145.53 29.13 o 8 2 0 19.63 11.56 40.99 o 9 2 0 27.39 60.25 29.68 o -8 3 0 78.31 67.70 39.47 o -7 3 0 44.33 -9.26 37.11 o -6 3 0 779.09 861.64 34.59 o -5 3 0 2331.73 2252.09 61.25 o -4 3 0 929.80 852.80 29.81 o -3 3 0 20.32 -5.68 18.45 o -2 3 0 1122.71 1141.10 27.24 o -1 3 0 4621.89 4804.91 132.03 o 0 3 0 8766.60 9074.06 51.02 o 1 3 0 4466.02 4803.40 53.09 o 2 3 0 329.88 412.60 18.86 o 3 3 0 6708.81 7443.91 152.59 o 4 3 0 1478.59 1639.76 22.42 o 5 3 0 267.04 317.32 14.72 o 6 3 0 93.93 120.48 25.30 o 7 3 0 1688.74 1766.31 55.23 o 8 3 0 369.39 432.95 36.82 o 9 3 0 461.79 469.39 46.08 o -8 4 0 1502.11 1559.50 57.81 o -7 4 0 47.13 34.15 35.13 o -6 4 0 45.07 59.89 55.41 o -5 4 0 1487.30 1411.98 55.74 o -4 4 0 149.65 148.32 17.25 o -3 4 0 120.22 146.20 29.18 o -2 4 0 4987.71 5271.60 57.87 o -1 4 0 126.00 144.87 30.00 o 0 4 0 913.63 1192.59 15.16 o 1 4 0 502.71 553.92 9.22 o 2 4 0 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