#------------------------------------------------------------------------------ #$Date: 2017-07-25 12:23:32 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199108 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/21/2242128.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_2242128 _cell_angle_alpha 102.384 _cell_angle_beta 91.106 _cell_angle_gamma 109.581 _cell_length_a 8.3074 _cell_length_b 11.1871 _cell_length_c 11.7693 _exptl_crystal_F_000 460.00 _reflns_d_resolution_high 0.8084 _cod_data_source_file sj55183sup2.hkl _cod_data_source_block 3 _shelx_title ' CJS003_0m_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 150.02 _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 4 0 0 649.44 372.61 22.47 o 5 0 0 2896.17 2461.42 99.04 o 6 0 0 1081.12 1016.06 42.28 o 7 0 0 1168.96 1231.88 50.61 o 8 0 0 716.97 796.79 33.16 o 9 0 0 57.30 51.32 6.10 o -9 1 0 254.39 267.64 10.57 o -8 1 0 205.18 241.40 11.72 o -7 1 0 14.96 12.83 12.60 o -6 1 0 149.38 122.33 7.72 o -5 1 0 1018.21 888.14 39.88 o -4 1 0 94.79 90.95 7.14 o -1 1 0 200.01 218.87 8.76 o 0 1 0 65.28 78.55 4.62 o 1 1 0 1345.85 1364.10 54.06 o 2 1 0 435.82 415.10 16.63 o 3 1 0 1833.95 1877.75 74.41 o 5 1 0 2025.74 1638.72 67.00 o 6 1 0 2.83 5.32 6.20 o 7 1 0 201.91 222.51 11.51 o 8 1 0 335.30 338.76 13.26 o 9 1 0 0.06 1.47 5.04 o -10 2 0 121.61 110.27 9.03 o -9 2 0 12.03 14.90 4.80 o -8 2 0 584.11 699.13 29.38 o -7 2 0 138.16 144.69 8.23 o -6 2 0 795.65 789.92 26.78 o -5 2 0 2283.15 1513.00 61.47 o -4 2 0 886.01 932.56 52.93 o -2 2 0 40.73 44.28 2.31 o -1 2 0 8588.87 8198.13 324.96 o 0 2 0 214.75 270.05 10.99 o 1 2 0 238.75 249.60 10.32 o 2 2 0 2291.23 2304.35 91.49 o 3 2 0 446.83 423.64 17.30 o 4 2 0 179.78 51.67 19.95 o 5 2 0 400.05 349.52 13.86 o 6 2 0 3.48 -3.34 3.34 o 7 2 0 2.13 -3.78 6.51 o 8 2 0 227.43 240.93 13.10 o 9 2 0 3.73 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