#------------------------------------------------------------------------------ #$Date: 2017-07-25 12:30:33 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199132 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/21/2242159.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_2242159 _cell_angle_alpha 69.039 _cell_angle_beta 89.498 _cell_angle_gamma 75.915 _cell_length_a 7.3885 _cell_length_b 8.0720 _cell_length_c 9.2976 _exptl_crystal_F_000 216.00 _reflns_d_resolution_high 0.7982 _cod_data_source_file zl27021sup2.hkl _cod_data_source_block 1 _shelx_title ' MAGD144 IN P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 81.68 _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 0.34 0.45 0.03 o 2 0 0 6084.13 6646.04 29.38 o 3 0 0 37.25 38.82 0.36 o 4 0 0 288.90 305.27 2.51 o 5 0 0 15.82 16.57 0.36 o 6 0 0 1.84 2.38 0.07 o 7 0 0 2.88 2.06 0.08 o 8 0 0 6.55 7.00 0.12 o -8 1 0 16.65 14.91 0.15 o -7 1 0 2.72 2.64 0.08 o -6 1 0 6.55 7.33 0.12 o -5 1 0 18.95 19.81 0.18 o -4 1 0 69.48 66.92 0.79 o -3 1 0 331.01 333.51 1.39 o -2 1 0 687.40 661.74 3.58 o -1 1 0 3705.28 3766.13 29.64 o 0 1 0 663.56 613.26 3.91 o 1 1 0 1901.02 1901.47 8.24 o 2 1 0 14.81 18.24 0.20 o 3 1 0 7.51 8.98 0.16 o 4 1 0 171.41 170.74 1.02 o 5 1 0 37.97 41.31 0.80 o 6 1 0 34.22 33.44 0.24 o 7 1 0 19.76 18.61 0.19 o 8 1 0 4.38 4.74 0.10 o 9 1 0 2.19 2.13 0.06 o -8 2 0 12.18 14.44 0.14 o -7 2 0 0.38 0.22 0.03 o -6 2 0 21.31 19.65 0.21 o -5 2 0 29.50 30.98 0.23 o -4 2 0 0.14 0.73 0.16 o -3 2 0 1.62 0.81 0.07 o -2 2 0 14.15 11.85 0.22 o -1 2 0 814.38 769.31 3.07 o 0 2 0 556.11 456.09 1.38 o 1 2 0 864.65 789.86 3.15 o 2 2 0 1314.87 1280.67 3.41 o 3 2 0 573.21 568.65 1.42 o 4 2 0 104.49 99.03 0.67 o 5 2 0 7.52 6.53 0.23 o 6 2 0 8.16 8.27 0.12 o 7 2 0 14.72 13.98 0.18 o 8 2 0 8.43 7.76 0.13 o 9 2 0 0.39 0.87 0.04 o -7 3 0 33.61 33.56 0.23 o 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70.06 69.36 0.44 o -4 6 1 26.31 27.32 0.21 o -3 6 1 3.51 4.35 0.09 o -2 6 1 386.82 380.46 0.88 o -1 6 1 2.64 2.97 0.08 o 0 6 1 28.99 28.22 0.22 o 1 6 1 16.23 16.39 0.17 o 2 6 1 74.50 73.06 0.52 o 3 6 1 15.71 17.87 0.18 o 4 6 1 226.46 234.29 1.04 o 5 6 1 1.67 1.79 0.07 o 6 6 1 94.23 93.20 0.47 o 7 6 1 7.62 8.56 0.13 o 8 6 1 13.03 14.85 0.14 o -4 7 1 94.59 93.90 0.48 o -3 7 1 242.91 245.82 1.12 o -2 7 1 31.24 30.48 0.25 o -1 7 1 174.10 170.09 0.57 o 0 7 1 12.91 15.26 0.18 o 1 7 1 31.54 31.65 0.25 o 2 7 1 0.21 0.23 0.04 o 3 7 1 42.99 42.28 0.30 o 4 7 1 119.65 121.73 0.47 o 5 7 1 0.11 0.13 0.03 o 6 7 1 78.15 84.48 0.42 o 7 7 1 8.88 7.30 0.11 o -3 8 1 0.45 0.95 0.07 o -2 8 1 49.95 50.95 0.28 o -1 8 1 0.05 0.05 0.03 o 0 8 1 10.72 10.15 0.14 o 1 8 1 5.20 4.99 0.10 o 2 8 1 12.12 12.33 0.16 o 3 8 1 44.27 45.72 0.31 o 4 8 1 1.36 1.75 0.07 o 5 8 1 1.05 0.99 0.05 o 6 8 1 0.06 0.04 0.03 o 7 8 1 4.63 5.35 0.08 o -1 9 1 0.04 0.07 0.04 o 0 9 1 66.23 71.22 0.36 o 1 9 1 9.82 10.02 0.12 o 2 9 1 0.19 0.05 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127.43 132.28 0.92 o -1 -5 2 511.44 521.73 2.38 o 0 -5 2 154.97 163.94 0.79 o 1 -5 2 90.92 85.92 0.40 o 2 -5 2 140.00 142.66 0.54 o 3 -5 2 161.92 152.53 0.53 o 4 -5 2 8.34 7.58 0.11 o 5 -5 2 15.50 15.05 0.14 o -8 -4 2 9.67 10.99 0.14 o -7 -4 2 8.11 8.46 0.13 o -6 -4 2 63.73 63.04 0.37 o -5 -4 2 3.35 2.88 0.08 o -4 -4 2 1.95 1.52 0.08 o -3 -4 2 71.95 75.36 1.67 o -2 -4 2 0.89 0.20 0.06 o -1 -4 2 484.75 472.11 4.98 o 0 -4 2 56.99 51.77 1.00 o 1 -4 2 38.99 36.15 0.61 o 2 -4 2 49.55 38.65 0.25 o 3 -4 2 79.17 79.78 0.45 o 4 -4 2 83.86 81.83 0.38 o 5 -4 2 14.77 16.15 0.16 o 6 -4 2 38.50 39.54 0.25 o -9 -3 2 4.60 4.73 0.20 o -8 -3 2 6.71 6.71 0.11 o -7 -3 2 47.45 47.92 0.34 o -6 -3 2 2.65 3.62 0.10 o -5 -3 2 82.96 79.37 0.49 o -4 -3 2 84.01 89.54 1.12 o -3 -3 2 73.75 68.80 0.70 o -2 -3 2 1227.34 1297.77 8.97 o -1 -3 2 4.29 2.47 0.11 o 0 -3 2 210.79 222.27 2.03 o 1 -3 2 530.85 537.27 4.16 o 2 -3 2 1.90 1.18 0.11 o 3 -3 2 128.93 145.92 0.87 o 4 -3 2 151.28 164.06 0.86 o 5 -3 2 236.72 243.52 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