#------------------------------------------------------------------------------ #$Date: 2024-03-23 05:02:31 +0200 (Sat, 23 Mar 2024) $ #$Revision: 290607 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/24/2312437.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_2312437 _cell_angle_alpha 90.000 _cell_angle_beta 105.390 _cell_angle_gamma 90.000 _cell_length_a 6.5940 _cell_length_b 5.3718 _cell_length_c 8.5241 _exptl_crystal_F_000 308.00 _reflns_d_resolution_high 0.7571 _cod_data_source_file yh5030KSrY_300K-after.cifsup4.hkl _cod_data_source_block KSrY_300K-after.cif _shelx_title ' KSrY_300K-after in P2(1)/m' _shelx_refln_list_code 4 _shelx_f_calc_maximum 161.79 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' '-x, -y, -z' 'x, -y-1/2, 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 0 409.32 286.33 8.47 o 2 0 0 5920.42 7019.35 133.31 o 3 0 0 1712.88 1256.85 38.91 o 4 0 0 3310.38 3736.91 71.18 o 5 0 0 1119.24 946.20 53.41 o 6 0 0 316.23 285.18 37.61 o 7 0 0 377.27 248.97 41.73 o 8 0 0 28.16 1.38 29.15 o 1 1 0 128.06 189.99 3.54 o 2 1 0 66.51 17.56 2.19 o 3 1 0 2084.99 2471.97 83.13 o 4 1 0 75.93 43.84 5.84 o 5 1 0 6917.29 7917.24 119.13 o 6 1 0 13.47 14.75 11.33 o 7 1 0 4359.14 4735.40 132.86 o 8 1 0 166.97 144.19 20.43 o 0 2 0 17796.66 19896.95 289.15 o 1 2 0 286.03 226.30 4.88 o 2 2 0 19978.74 23354.38 171.65 o 3 2 0 1275.72 1011.81 25.52 o 4 2 0 52.59 54.55 6.78 o 5 2 0 1018.31 947.02 23.33 o 6 2 0 105.05 85.39 9.72 o 7 2 0 289.07 251.15 17.85 o 8 2 0 132.55 104.74 23.76 o 1 3 0 28.06 39.86 4.69 o 2 3 0 91.15 51.81 6.26 o 3 3 0 1249.74 1371.14 112.80 o 4 3 0 35.60 29.83 7.36 o 5 3 0 5360.07 5495.11 117.74 o 6 3 0 1.72 14.28 10.16 o 7 3 0 3481.69 3667.69 332.89 o 0 4 0 18381.97 19947.95 703.14 o 1 4 0 141.61 114.94 10.44 o 2 4 0 3733.81 4025.20 89.55 o 3 4 0 741.75 662.38 61.20 o 4 4 0 1080.39 1043.93 30.45 o 5 4 0 592.70 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36.39 17.81 o -8 2 2 550.03 501.56 76.63 o -7 2 2 145.95 158.30 23.80 o -6 2 2 6953.89 7222.64 141.65 o -5 2 2 22.68 13.94 8.26 o -4 2 2 3463.32 4027.74 231.09 o -3 2 2 431.54 330.74 11.96 o -2 2 2 2228.81 2577.42 20.03 o -1 2 2 709.88 518.62 8.47 o 0 2 2 4691.42 6113.19 65.64 o 1 2 2 97.41 110.17 4.17 o 2 2 2 20.29 32.72 4.26 o 3 2 2 47.87 17.83 11.30 o 4 2 2 26.66 44.25 10.23 o 5 2 2 97.73 129.24 12.35 o 6 2 2 4395.36 4325.75 293.96 o 7 2 2 2.98 5.18 16.74 o -7 3 2 72.39 66.40 18.63 o -6 3 2 18.98 20.42 9.62 o -5 3 2 90.44 108.22 8.87 o -4 3 2 405.05 397.80 22.88 o -3 3 2 60.25 71.44 6.29 o -2 3 2 404.46 299.23 6.88 o -1 3 2 4703.48 5454.17 53.17 o 0 3 2 258.08 226.93 5.94 o 1 3 2 10115.82 11529.26 122.54 o 2 3 2 86.75 67.76 6.74 o 3 3 2 3592.39 4020.08 53.43 o 4 3 2 453.77 457.53 24.49 o 5 3 2 123.27 122.65 16.90 o 6 3 2 552.27 583.01 29.40 o 7 3 2 18.91 17.43 39.17 o -7 4 2 122.16 115.26 34.32 o -6 4 2 2884.81 2609.00 75.14 o -5 4 2 10.70 15.02 10.04 o -4 4 2 5826.99 5899.83 206.64 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