#------------------------------------------------------------------------------ #$Date: 2019-03-26 06:12:39 +0200 (Tue, 26 Mar 2019) $ #$Revision: 214338 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/15/2021554.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_2021554 _cell_angle_alpha 85.727 _cell_angle_beta 80.360 _cell_angle_gamma 76.734 _cell_length_a 9.5651 _cell_length_b 12.6688 _cell_length_c 15.2716 _exptl_crystal_F_000 846.00 _reflns_d_resolution_high 0.8370 _cod_data_source_file yp3177exp_2484sup3.hkl _cod_data_source_block exp_2484 _shelx_title ' exp_2484 in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 266.77 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_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 7811.79 7959.33 72.63 o 3 0 0 4197.14 3953.92 101.49 o 4 0 0 895.88 770.01 25.90 o 5 0 0 566.22 718.37 17.50 o 6 0 0 220.26 219.78 30.80 o 7 0 0 124.24 125.29 26.60 o 8 0 0 6.16 12.60 9.80 o 9 0 0 32.03 46.20 18.20 o 10 0 0 11.40 10.50 11.20 o -10 1 0 289.17 374.46 54.59 o -9 1 0 1.31 -9.80 11.20 o -8 1 0 325.32 436.76 51.79 o -7 1 0 52.93 43.40 17.50 o -6 1 0 49.11 54.54 13.65 o -5 1 0 1254.22 1278.09 28.39 o -4 1 0 31.47 34.33 3.04 o -3 1 0 3118.88 3307.41 46.57 o -2 1 0 9240.80 9712.00 65.51 o -1 1 0 2401.81 2389.57 37.80 o 2 1 0 8713.13 8234.47 71.98 o 3 1 0 1015.00 946.95 18.84 o 4 1 0 8710.98 8452.75 80.31 o 5 1 0 25.91 21.22 3.85 o 6 1 0 1977.77 1729.87 29.40 o 7 1 0 177.26 156.78 27.30 o 8 1 0 552.43 566.25 55.99 o 9 1 0 4.93 -4.20 8.40 o 10 1 0 32.71 18.20 14.00 o 11 1 0 61.66 48.30 20.30 o -10 2 0 306.90 286.97 49.70 o -9 2 0 0.99 -7.70 13.30 o -8 2 0 1025.21 1059.70 82.59 o -7 2 0 153.96 143.68 21.70 o -6 2 0 1168.57 1191.87 31.32 o -5 2 0 98.58 106.34 9.91 o -4 2 0 5123.87 5334.39 72.40 o -3 2 0 70.23 78.34 3.70 o -2 2 0 2549.60 2039.66 21.35 o -1 2 0 7540.94 7199.56 54.64 o 0 2 0 3694.96 3496.16 58.09 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