#------------------------------------------------------------------------------ #$Date: 2019-06-11 07:19:33 +0300 (Tue, 11 Jun 2019) $ #$Revision: 215810 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/16/2021659.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_2021659 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 8.5083 _cell_length_b 13.8444 _cell_length_c 22.4960 _exptl_crystal_F_000 396.00 _reflns_d_resolution_high 0.7687 _cod_data_source_file yf31732sup3.hkl _cod_data_source_block 2 _shelx_title ' ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 268.29 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -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 2 0 0 13669.52 13229.65 263.71 o 4 0 0 16533.23 15962.05 339.33 o 6 0 0 484.85 519.36 105.48 o 8 0 0 11354.04 11104.84 325.82 o 10 0 0 3369.73 3367.81 255.00 o 1 1 0 5869.22 6234.74 107.02 o 2 1 0 1348.52 1658.69 37.35 o 3 1 0 5890.09 5931.86 102.18 o 4 1 0 3.72 -19.20 21.86 o 5 1 0 13370.34 13819.32 224.54 o 6 1 0 4259.54 4369.99 110.99 o 7 1 0 48.19 -3.38 44.13 o 8 1 0 340.66 523.75 167.65 o 9 1 0 1729.76 1557.50 100.68 o 10 1 0 378.21 574.50 118.67 o 11 1 0 3.59 179.75 197.11 o 0 2 0 513.05 452.83 46.26 o 1 2 0 18310.29 16970.09 278.79 o 2 2 0 66897.41 62408.43 1121.38 o 3 2 0 3013.15 3036.11 67.30 o 4 2 0 6608.68 6796.34 124.84 o 5 2 0 1620.98 1549.22 60.54 o 6 2 0 17953.90 17894.89 312.21 o 7 2 0 1868.01 1789.50 83.88 o 8 2 0 389.98 357.29 89.87 o 9 2 0 1451.89 1397.93 101.61 o 10 2 0 3.81 -120.68 131.93 o 1 3 0 7333.88 7546.23 151.11 o 2 3 0 13798.98 13606.65 252.48 o 3 3 0 368.36 408.73 32.52 o 4 3 0 5674.09 6327.91 125.97 o 5 3 0 6249.74 6300.08 134.35 o 6 3 0 297.35 255.69 78.41 o 7 3 0 1.84 21.39 71.88 o 8 3 0 584.84 555.33 78.27 o 9 3 0 5669.18 5712.91 202.91 o 10 3 0 21.57 -116.23 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