#------------------------------------------------------------------------------ #$Date: 2021-03-30 07:51:42 +0300 (Tue, 30 Mar 2021) $ #$Revision: 263428 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/23/2022347.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_2022347 _audit_creation_date 19-03-18 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 4.97120(10) _cell_length_b 20.1758(2) _cell_length_c 22.7451(3) _cod_data_source_file fp3087IIIsup4.hkl _cod_data_source_block III loop_ _symmetry_equiv_pos_as_xyz x,y,z x+1/2,-y+1/2,-z -x,y+1/2,-z+1/2 -x+1/2,-y,z+1/2 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma _refln_observed_status _refln_refinement_weight 2 0 0 3820.55 2933.89 78.52 o 0.3366E-04 4 0 0 109.57 121.89 13.51 o 0.2465E-02 1 1 0 3089.34 3120.82 30.40 o 0.4386E-04 2 1 0 252.50 208.68 14.08 o 0.1503E-02 3 1 0 188.76 168.09 7.72 o 0.2435E-02 4 1 0 713.48 656.29 19.20 o 0.4345E-03 5 1 0 230.07 186.95 21.10 o 0.1168E-02 0 2 0 7529.67 8604.84 85.93 o 0.7909E-05 1 2 0 3616.17 3631.20 34.42 o 0.3349E-04 2 2 0 64.42 58.64 7.29 o 0.6132E-02 3 2 0 1311.33 1208.89 19.03 o 0.1935E-03 4 2 0 1329.07 1284.06 26.24 o 0.1718E-03 5 2 0 269.87 246.43 21.65 o 0.9894E-03 1 3 0 3074.24 3287.30 38.34 o 0.4046E-04 2 3 0 418.88 411.47 16.49 o 0.7851E-03 3 3 0 43.31 61.16 4.77 o 0.8275E-02 4 3 0 437.30 451.39 16.66 o 0.7245E-03 5 3 0 9.37 1.83 5.98 o 0.2311E-01 0 4 0 22039.09 22837.46 210.50 o 0.1180E-05 1 4 0 5302.87 5518.19 61.48 o 0.1574E-04 2 4 0 2075.66 1804.02 36.75 o 0.9261E-04 3 4 0 106.66 99.63 6.82 o 0.4195E-02 4 4 0 688.80 639.48 21.64 o 0.4306E-03 5 4 0 665.40 649.41 18.08 o 0.4608E-03 1 5 0 1875.48 2021.32 26.91 o 0.9236E-04 2 5 0 410.24 404.27 23.10 o 0.6595E-03 3 5 0 386.40 395.07 11.75 o 0.9334E-03 4 5 0 2281.71 2265.21 39.83 o 0.6987E-04 5 5 0 283.45 250.11 11.30 o 0.1453E-02 0 6 0 5043.85 5053.06 65.35 o 0.1770E-04 1 6 0 4519.16 4635.01 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444.07 12.31 o 0.8019E-03 1 11 23 481.94 511.39 12.28 o 0.6994E-03 -1 12 23 5.37 0.75 3.86 o 0.5311E-01 0 12 23 24.50 20.90 3.86 o 0.1882E-01 1 12 23 14.50 0.33 3.87 o 0.4245E-01 0 13 23 1.82 11.49 5.11 o 0.2481E-01 0 0 24 282.27 274.25 18.18 o 0.1074E-02 1 0 24 35.03 29.68 4.29 o 0.1365E-01 2 0 24 2.29 0.92 3.49 o 0.6868E-01 -2 1 24 126.08 133.39 6.86 o 0.3363E-02 -1 1 24 86.18 83.93 5.45 o 0.5402E-02 0 1 24 358.14 335.51 11.46 o 0.1097E-02 1 1 24 90.38 84.47 5.61 o 0.5251E-02 2 1 24 149.05 144.48 8.72 o 0.2787E-02 -2 2 24 176.97 179.76 8.00 o 0.2376E-02 -1 2 24 47.75 55.02 4.42 o 0.8810E-02 0 2 24 135.12 136.18 7.80 o 0.3109E-02 1 2 24 46.44 54.45 4.45 o 0.8905E-02 2 2 24 145.20 157.00 9.60 o 0.2559E-02 -2 3 24 80.93 78.61 5.72 o 0.5630E-02 -1 3 24 13.86 14.21 3.34 o 0.2817E-01 0 3 24 5.85 7.70 3.64 o 0.3953E-01 1 3 24 9.97 15.46 3.01 o 0.3068E-01 2 3 24 82.17 79.01 7.48 o 0.4946E-02 -2 4 24 347.06 357.40 10.59 o 0.1081E-02 -1 4 24 277.43 283.75 7.72 o 0.1486E-02 0 4 24 1.47 2.10 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