#------------------------------------------------------------------------------ #$Date: 2018-11-17 05:34:44 +0200 (Sat, 17 Nov 2018) $ #$Revision: 212032 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/83/2108313.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_2108313 _cell_angle_alpha 90.000 _cell_angle_beta 91.448 _cell_angle_gamma 90.000 _cell_length_a 4.8588 _cell_length_b 4.9939 _cell_length_c 26.0286 _exptl_crystal_F_000 340.00 _reflns_d_resolution_high 0.7701 _cod_data_source_file aw5013PB34sup14.hkl _cod_data_source_block PB34 _shelx_title ' try1 in P2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 117.09 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz '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 4 -5 0 2.61 37.89 44.49 o 3 -4 0 267.77 232.76 51.09 o 4 -4 0 142.65 181.68 57.69 o 2 -3 0 948.85 935.50 71.61 o 3 -3 0 516.28 622.52 69.31 o 4 -3 0 128.82 136.62 48.93 o 5 -3 0 2.36 0.86 43.48 o 0 -2 0 2446.83 2788.43 164.46 o 1 -2 0 1689.38 1706.21 55.20 o 2 -2 0 58.57 82.19 10.76 o 3 -2 0 348.29 420.35 47.58 o 4 -2 0 568.74 602.57 65.15 o 1 -1 0 4374.25 4496.52 114.14 o 2 -1 0 1032.64 1101.90 30.59 o 3 -1 0 723.41 716.62 34.44 o 4 -1 0 255.31 308.96 55.97 o 5 -1 0 57.01 54.24 41.62 o 1 0 0 2717.28 2676.22 90.46 o 2 0 0 2147.65 2017.75 60.12 o 3 0 0 16.52 27.32 9.18 o 4 0 0 399.96 415.44 52.95 o 5 0 0 47.24 92.56 38.75 o 6 0 0 153.33 178.52 64.43 o 1 1 0 4977.25 4942.86 81.17 o 2 1 0 1069.37 1116.87 30.80 o 3 1 0 862.35 890.19 42.37 o 4 1 0 256.41 305.31 45.20 o 5 1 0 54.52 61.47 31.57 o 6 1 0 61.12 99.45 53.96 o 0 2 0 2809.89 3099.11 118.27 o 1 2 0 1473.67 1444.28 34.94 o 2 2 0 57.89 72.13 8.92 o 3 2 0 311.25 354.75 33.69 o 4 2 0 571.14 568.28 43.75 o 5 2 0 476.61 448.59 51.50 o 6 2 0 24.12 12.21 33.85 o 1 3 0 394.22 404.91 28.31 o 2 3 0 955.56 1048.12 35.59 o 3 3 0 679.64 728.51 43.57 o 4 3 0 105.40 99.88 45.78 o 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