#------------------------------------------------------------------------------ #$Date: 2016-09-30 04:25:12 +0300 (Fri, 30 Sep 2016) $ #$Revision: 186843 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/79/2107982.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_2107982 _cell_angle_alpha 90.000 _cell_angle_beta 101.001 _cell_angle_gamma 90.000 _cell_length_a 11.7030 _cell_length_b 17.9455 _cell_length_c 20.2104 _exptl_crystal_F_000 1520.00 _reflns_d_resolution_high 0.8109 _cod_data_source_file eb5051tdst_et3n_180sup6.hkl _cod_data_source_block tdst_et3n_180 _shelx_title ' TDST_Et3N_temp_180 in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 257.06 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z+1/2' 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 0 0 -24 1027.32 1045.88 101.09 o 2 0 -24 141.07 103.61 64.09 o 4 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70.17 162.82 o 0 4 -23 68.06 64.65 58.07 o 2 4 -23 455.55 461.22 40.61 o 4 4 -23 1.54 13.56 40.53 o 6 4 -23 11.70 18.74 37.89 o -1 5 -23 185.78 158.21 122.69 o 1 5 -23 442.31 437.64 65.76 o 3 5 -23 87.10 122.57 42.66 o 5 5 -23 627.41 635.37 38.75 o 0 6 -23 3.23 26.14 65.98 o 2 6 -23 221.42 193.77 48.80 o 4 6 -23 449.07 457.54 46.51 o 6 6 -23 172.42 197.99 39.99 o 1 7 -23 90.45 67.26 50.83 o 3 7 -23 333.06 386.12 83.88 o 5 7 -23 146.42 97.44 44.93 o 2 8 -23 11.88 -8.36 44.82 o 4 8 -23 86.06 98.72 83.02 o -2 0 -22 1653.80 1428.36 159.53 o 0 0 -22 3681.55 3687.18 92.84 o 2 0 -22 739.19 703.29 65.39 o 4 0 -22 1134.08 1101.86 57.04 o 6 0 -22 406.71 356.48 85.95 o 8 0 -22 220.39 151.86 69.55 o -1 1 -22 38.11 4.00 103.33 o 1 1 -22 25.04 45.37 45.60 o 3 1 -22 29.23 -38.82 38.82 o 5 1 -22 4.37 -26.51 35.94 o 7 1 -22 93.59 87.68 36.64 o 9 1 -22 124.06 90.48 41.29 o -2 2 -22 635.24 838.00 117.56 o 0 2 -22 1039.05 1026.48 57.82 o 2 2 -22 8.02 33.32 40.87 o 4 2 -22 235.53 275.80 38.09 o 6 2 -22 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58.52 o 1 11 -21 86.48 58.75 44.24 o 3 11 -21 684.57 692.23 50.53 o 5 11 -21 53.61 60.99 41.98 o -2 0 -20 1440.08 1678.64 149.20 o 0 0 -20 1762.03 1702.82 78.24 o 2 0 -20 798.66 753.21 145.10 o 4 0 -20 769.84 766.79 54.64 o 6 0 -20 852.79 935.25 93.28 o 8 0 -20 495.99 546.27 50.95 o 10 0 -20 995.34 1072.45 59.83 o -3 1 -20 128.96 -39.26 139.61 o -1 1 -20 152.69 203.25 100.64 o 1 1 -20 228.14 224.13 41.04 o 3 1 -20 280.83 178.36 51.09 o 5 1 -20 276.00 272.01 59.71 o 7 1 -20 104.66 101.09 32.43 o 9 1 -20 186.75 170.54 37.60 o -2 2 -20 187.42 262.07 134.48 o 0 2 -20 763.33 704.20 49.37 o 2 2 -20 104.27 126.90 37.68 o 4 2 -20 136.53 146.19 35.59 o 6 2 -20 389.08 397.36 37.06 o 8 2 -20 27.40 23.17 35.63 o 10 2 -20 268.12 220.59 42.47 o -3 3 -20 179.22 102.98 147.22 o -1 3 -20 133.96 125.98 126.13 o 1 3 -20 141.51 185.43 35.46 o 3 3 -20 1464.31 1439.17 65.64 o 5 3 -20 582.62 568.67 36.10 o 7 3 -20 39.87 32.50 64.39 o 9 3 -20 892.66 945.35 35.04 o -4 4 -20 24.64 -14.80 147.66 o -2 4 -20 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