#------------------------------------------------------------------------------ #$Date: 2019-05-22 07:27:21 +0300 (Wed, 22 May 2019) $ #$Revision: 215393 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/16/2021643.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_2021643 _cell_angle_alpha 99.687 _cell_angle_beta 91.504 _cell_angle_gamma 93.472 _cell_length_a 9.7632 _cell_length_b 10.8846 _cell_length_c 18.5771 _exptl_crystal_F_000 890.01 _reflns_d_resolution_high 0.8107 _cod_data_source_file ky3175Isup2.hkl _cod_data_source_block I _shelx_title ' gm_vs_719_0m_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 193.10 _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 3429.27 3462.13 54.36 o 2 0 0 2.69 4.67 1.29 o 3 0 0 1278.98 1321.78 21.69 o 4 0 0 873.57 883.15 16.69 o 5 0 0 5116.78 5377.21 78.72 o 6 0 0 1514.86 1656.54 29.54 o 7 0 0 9.46 5.81 3.62 o 8 0 0 1050.79 1142.25 35.25 o 9 0 0 218.20 216.04 17.76 o 10 0 0 11.39 10.12 6.40 o 11 0 0 862.11 891.87 36.50 o 12 0 0 506.28 586.83 43.35 o -12 1 0 2.04 10.58 13.32 o -11 1 0 11.03 6.70 8.66 o -10 1 0 471.31 480.57 24.73 o -9 1 0 64.13 68.71 8.96 o -8 1 0 127.24 127.20 10.61 o -7 1 0 143.76 151.95 10.65 o -6 1 0 9012.30 9322.23 114.36 o -5 1 0 1262.65 1163.31 18.72 o -4 1 0 518.84 551.87 14.35 o -3 1 0 1269.01 1258.25 18.27 o -2 1 0 72.51 96.08 3.70 o -1 1 0 2434.10 2518.74 43.98 o 0 1 0 2986.91 2908.49 160.93 o 1 1 0 6494.99 6754.90 79.35 o 2 1 0 2287.09 2287.79 25.81 o 3 1 0 407.56 411.93 8.09 o 4 1 0 12.38 18.62 1.22 o 5 1 0 2559.24 2540.17 43.85 o 6 1 0 1958.22 1806.36 35.46 o 7 1 0 152.10 138.45 14.24 o 8 1 0 256.68 234.78 14.48 o 9 1 0 2497.21 2411.83 50.03 o 10 1 0 504.95 457.49 57.65 o 11 1 0 1.55 1.89 8.05 o -11 2 0 835.82 826.05 34.91 o -10 2 0 26.08 17.65 8.19 o -9 2 0 726.42 721.65 23.23 o -8 2 0 0.12 2.96 5.19 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