#------------------------------------------------------------------------------ #$Date: 2021-04-27 08:01:49 +0300 (Tue, 27 Apr 2021) $ #$Revision: 264571 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/23/2022364.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_2022364 _cell_angle_alpha 83.078 _cell_angle_beta 87.002 _cell_angle_gamma 70.848 _cell_length_a 10.8762 _cell_length_b 11.3163 _cell_length_c 13.5343 _exptl_crystal_F_000 620.00 _reflns_d_resolution_high 0.7233 _cod_data_source_file yd3016Complex-2sup3.hkl _cod_data_source_block Complex-2 _shelx_title ' DS-55LT in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 182.66 _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 1107.61 1292.20 20.47 o 3 0 0 126.60 148.80 6.68 o 4 0 0 18.65 28.49 4.08 o 5 0 0 2915.67 2967.93 48.29 o 6 0 0 31.17 38.40 13.24 o 7 0 0 1217.68 1204.38 55.27 o 8 0 0 20.55 31.34 12.16 o 9 0 0 15.63 35.87 14.87 o 10 0 0 59.62 54.90 19.43 o 11 0 0 223.97 235.51 33.95 o 12 0 0 51.50 71.11 22.95 o 13 0 0 0.89 15.30 22.53 o -13 1 0 349.72 434.95 98.68 o -12 1 0 668.06 683.58 61.23 o -11 1 0 496.29 498.37 49.74 o -10 1 0 13.22 20.24 20.07 o -9 1 0 1.94 18.90 16.44 o -8 1 0 42.94 42.72 11.45 o -7 1 0 3.32 14.71 7.16 o -6 1 0 2147.18 2076.73 47.69 o -5 1 0 8269.88 8321.99 87.78 o -4 1 0 924.15 790.99 21.58 o -3 1 0 4918.97 5689.00 48.15 o -2 1 0 296.41 321.46 10.09 o 2 1 0 2595.26 2843.91 29.08 o 3 1 0 606.09 651.70 18.92 o 4 1 0 59.08 52.19 5.83 o 5 1 0 156.93 184.05 10.31 o 6 1 0 15.15 15.99 4.65 o 7 1 0 4.60 27.91 10.85 o 8 1 0 947.68 967.91 52.28 o 9 1 0 926.88 959.19 61.04 o 10 1 0 153.11 199.48 29.68 o 11 1 0 58.14 54.63 20.53 o 12 1 0 215.39 260.30 36.14 o 13 1 0 179.41 249.58 39.05 o -13 2 0 67.20 77.16 44.94 o -12 2 0 140.46 99.95 27.04 o -11 2 0 148.99 190.28 35.79 o -10 2 0 0.78 10.13 16.49 o -9 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