#------------------------------------------------------------------------------ #$Date: 2016-10-07 04:51:23 +0300 (Fri, 07 Oct 2016) $ #$Revision: 186986 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/05/2020599.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_2020599 _cell_angle_alpha 108.735 _cell_angle_beta 100.095 _cell_angle_gamma 94.933 _cell_length_a 11.5262 _cell_length_b 11.8485 _cell_length_c 14.5230 _exptl_crystal_F_000 816.00 _reflns_d_resolution_high 0.7696 _cod_data_source_file yp310920150127_l65stl_51sup3.hkl _cod_data_source_block 20150127_l65stl_51 _shelx_title ' 20150127_l65stl_51' _shelx_refln_list_code 4 _shelx_f_calc_maximum 302.44 _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 5769.13 5149.84 175.34 o 3 0 0 1105.60 1096.46 24.06 o 4 0 0 1013.05 930.19 26.54 o 5 0 0 470.24 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43.34 o 11 7 0 1100.93 991.81 20.86 o -13 8 0 35.80 38.25 13.88 o -12 8 0 379.88 375.69 14.07 o -11 8 0 896.36 909.24 16.68 o -10 8 0 475.43 468.73 13.78 o -9 8 0 2427.31 2520.17 27.86 o -8 8 0 3167.58 3144.90 36.13 o -7 8 0 3205.09 3271.16 38.22 o -6 8 0 824.35 817.38 16.66 o -5 8 0 400.53 428.39 10.39 o -4 8 0 818.65 859.81 13.43 o -3 8 0 2260.69 2306.39 22.08 o -2 8 0 2802.32 2943.98 29.35 o -1 8 0 4067.85 4033.26 37.35 o 0 8 0 3663.92 3720.29 36.14 o 1 8 0 12129.15 12285.99 83.89 o 2 8 0 3547.30 3666.57 37.38 o 3 8 0 1217.08 1295.92 14.23 o 4 8 0 265.16 291.36 10.35 o 5 8 0 708.37 723.89 15.04 o 6 8 0 4538.47 4348.02 55.41 o 7 8 0 2674.32 2560.15 32.22 o 8 8 0 2032.20 1950.91 27.87 o 9 8 0 2136.33 2080.84 39.31 o 10 8 0 1577.55 1528.94 29.74 o -12 9 0 797.73 788.86 17.97 o -11 9 0 1463.66 1490.57 21.87 o -10 9 0 2040.84 2119.66 27.31 o -9 9 0 1367.12 1338.50 22.73 o -8 9 0 3679.03 3687.32 36.56 o -7 9 0 482.84 485.56 14.39 o -6 9 0 13.01 12.09 9.65 o -5 9 0 399.47 408.51 11.78 o -4 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