#------------------------------------------------------------------------------ #$Date: 2021-01-15 07:37:49 +0200 (Fri, 15 Jan 2021) $ #$Revision: 260987 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/23/2022314.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_2022314 _cell_angle_alpha 99.938 _cell_angle_beta 107.918 _cell_angle_gamma 101.824 _cell_length_a 7.0691 _cell_length_b 7.8482 _cell_length_c 7.9767 _exptl_crystal_F_000 268.00 _reflns_d_resolution_high 0.6039 _cod_data_source_file oc3008Srsup3.hkl _cod_data_source_block Sr _shelx_title ' TRIFA_S178P_0m_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 110.27 _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 2 0 0 420.08 404.77 9.70 o 3 0 0 2925.19 2941.45 66.09 o 4 0 0 214.95 203.21 5.03 o 5 0 0 678.35 713.19 16.11 o 6 0 0 2086.73 2094.08 43.56 o 7 0 0 237.17 242.88 5.55 o 8 0 0 297.37 295.60 7.24 o 9 0 0 556.38 563.70 12.36 o 10 0 0 65.57 74.96 2.95 o -10 1 0 17.53 18.95 1.85 o -9 1 0 64.20 59.79 2.08 o -8 1 0 417.18 414.02 9.14 o -7 1 0 309.93 313.16 7.01 o -6 1 0 1068.37 1091.34 23.36 o -5 1 0 2098.11 2121.35 49.44 o -4 1 0 142.97 132.90 3.17 o -3 1 0 2209.21 2353.59 56.20 o -2 1 0 4325.65 4378.57 119.96 o 2 1 0 67.18 87.90 2.16 o 3 1 0 2932.48 3148.89 70.07 o 4 1 0 583.98 570.29 12.81 o 5 1 0 224.49 231.05 5.27 o 6 1 0 341.22 331.63 7.45 o 7 1 0 483.06 481.92 12.74 o 8 1 0 108.35 105.82 2.96 o 9 1 0 217.92 219.09 5.39 o 10 1 0 584.96 582.79 17.29 o -11 2 0 150.11 150.73 5.57 o -10 2 0 312.66 319.27 9.05 o -9 2 0 29.87 27.15 1.50 o -8 2 0 1023.68 1031.70 21.80 o -7 2 0 736.25 735.87 15.85 o -6 2 0 715.30 734.22 16.35 o -5 2 0 765.48 760.69 16.87 o -4 2 0 1590.81 1615.59 35.67 o -3 2 0 43.18 47.61 1.43 o -2 2 0 4833.37 4829.30 115.57 o -1 2 0 210.87 212.07 5.53 o 0 2 0 25.04 21.81 1.46 o 1 2 0 947.41 954.98 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704.10 689.72 36.97 o -5 10 0 5.19 6.76 1.24 o -4 10 0 142.08 134.38 5.54 o -3 10 0 738.22 752.03 22.61 o -2 10 0 16.84 15.75 3.21 o -1 10 0 163.89 159.36 4.27 o 0 10 0 466.26 479.00 12.30 o 1 10 0 4.76 6.10 1.46 o 2 10 0 92.17 91.50 3.27 o 3 10 0 335.06 324.39 13.31 o 4 10 0 9.93 9.28 1.95 o -8 11 0 209.33 205.43 6.38 o -7 11 0 122.87 118.09 3.93 o -6 11 0 183.86 182.99 6.31 o -5 11 0 210.73 216.11 6.62 o -4 11 0 53.32 51.63 2.53 o -3 11 0 229.60 221.35 5.64 o -2 11 0 529.79 555.07 12.85 o -1 11 0 47.61 45.05 4.11 o 0 11 0 216.04 219.35 5.55 o 1 11 0 165.51 159.25 6.88 o 2 11 0 113.62 108.76 6.03 o -6 12 0 16.01 16.94 2.60 o -5 12 0 80.54 82.76 4.08 o -4 12 0 326.24 328.81 17.35 o -3 12 0 3.62 2.10 4.35 o -2 12 0 125.94 125.48 6.49 o -1 12 0 354.72 351.52 10.73 o 0 12 0 60.86 55.67 4.14 o -1 -12 1 211.70 200.68 5.86 o 0 -12 1 225.80 225.72 6.55 o 1 -12 1 22.53 23.31 2.39 o 2 -12 1 342.15 332.21 8.95 o 3 -12 1 231.32 226.15 6.96 o 4 -12 1 28.35 28.48 2.82 o 5 -12 1 220.27 225.18 7.37 o 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