#------------------------------------------------------------------------------ #$Date: 2017-07-25 11:46:04 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199049 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/80/2108084.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_2108084 _cell_angle_alpha 91.692 _cell_angle_beta 93.393 _cell_angle_gamma 93.903 _cell_length_a 8.8070 _cell_length_b 10.6922 _cell_length_c 11.4658 _exptl_crystal_F_000 555.00 _reflns_d_resolution_high 0.8000 _cod_data_source_file ps50563_20Ksup18.hkl _cod_data_source_block 3_20K _shelx_title ' tribr20K' _shelx_refln_list_code 4 _shelx_f_calc_maximum 241.55 _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 1 0 0 9468.87 9418.17 320.32 o 2 0 0 654.96 645.33 20.80 o 3 0 0 1106.41 1162.09 62.14 o 4 0 0 213.81 199.87 26.98 o 5 0 0 487.81 465.01 31.48 o 6 0 0 3921.84 3766.01 290.57 o 7 0 0 1250.70 1398.30 136.37 o 8 0 0 1291.90 1134.82 107.50 o 9 0 0 800.92 900.18 122.03 o 10 0 0 176.37 199.21 63.64 o -10 1 0 95.28 100.56 41.88 o -8 1 0 2995.86 2343.98 254.68 o -7 1 0 1798.17 1794.25 159.87 o -6 1 0 3509.41 3742.62 159.10 o -5 1 0 2596.51 2613.34 165.71 o -4 1 0 5677.18 5702.10 308.65 o -3 1 0 513.46 608.02 15.92 o -2 1 0 23329.49 23133.10 1297.10 o -1 1 0 1575.79 1414.36 65.08 o 0 1 0 4637.42 4761.37 161.72 o 1 1 0 594.96 613.97 13.87 o 2 1 0 408.45 368.97 16.14 o 3 1 0 704.47 820.69 29.41 o 4 1 0 195.46 209.08 8.58 o 5 1 0 130.91 134.97 6.26 o 6 1 0 18268.73 19241.15 1261.26 o 7 1 0 109.80 1.03 12.70 o 8 1 0 21.57 20.96 40.14 o 9 1 0 1319.29 1516.33 186.08 o 10 1 0 0.17 -6.82 44.61 o -10 2 0 59.51 84.16 52.21 o -8 2 0 2447.45 1884.90 216.86 o -7 2 0 154.25 154.52 42.97 o -6 2 0 169.67 224.15 29.95 o -5 2 0 2245.21 2399.25 110.98 o -4 2 0 49.25 55.27 12.95 o -3 2 0 2.22 17.19 5.44 o -2 2 0 15640.35 15224.38 692.58 o -1 2 0 9118.51 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