#------------------------------------------------------------------------------ #$Date: 2021-07-28 08:23:42 +0300 (Wed, 28 Jul 2021) $ #$Revision: 267783 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108847.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_2108847 _cell_angle_alpha 90.000 _cell_angle_beta 113.276 _cell_angle_gamma 90.000 _cell_length_a 12.9832 _cell_length_b 8.3806 _cell_length_c 15.5159 _exptl_crystal_F_000 1152.00 _reflns_d_resolution_high 0.8107 _cod_data_source_file lo5092123TBB_270Ksup2.hkl _cod_data_source_block 123TBB_270K _shelx_title ' 123tbb_270k in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 504.24 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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 19414.84 19014.79 273.85 o 3 0 0 21380.61 20853.81 202.02 o 4 0 0 1.60 9.19 23.34 o 5 0 0 2866.91 2714.92 93.80 o 6 0 0 5387.91 5012.44 162.41 o 7 0 0 138.49 36.90 58.39 o 8 0 0 4043.59 3858.43 162.37 o 9 0 0 4536.48 4772.53 189.33 o 10 0 0 0.03 108.63 63.18 o 11 0 0 3866.57 3683.06 257.87 o 12 0 0 1073.94 1437.23 231.82 o 13 0 0 1668.14 1988.43 269.76 o 14 0 0 50.66 0.00 185.80 o 1 1 0 7907.31 8938.05 163.54 o 2 1 0 14450.01 14382.70 119.92 o 3 1 0 7463.73 7332.26 102.47 o 4 1 0 5826.69 5638.00 102.03 o 5 1 0 7236.71 7421.25 139.51 o 6 1 0 23179.59 23217.06 276.45 o 7 1 0 4126.35 4256.23 114.86 o 8 1 0 1321.55 1330.21 72.40 o 9 1 0 403.62 415.25 46.73 o 10 1 0 555.18 619.88 62.14 o 11 1 0 849.21 825.51 121.21 o 12 1 0 314.34 254.59 122.05 o 13 1 0 1065.27 1138.36 161.46 o 14 1 0 6.41 3.71 141.25 o 0 2 0 6713.43 6529.34 327.66 o 1 2 0 500.74 577.46 40.07 o 2 2 0 170425.23 164829.58 1721.70 o 3 2 0 13187.18 12866.40 177.33 o 4 2 0 4090.31 3959.67 104.69 o 5 2 0 6674.06 6761.47 137.70 o 6 2 0 6831.72 6478.19 143.41 o 7 2 0 2939.87 2880.57 102.15 o 8 2 0 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