#------------------------------------------------------------------------------ #$Date: 2019-02-09 05:46:24 +0200 (Sat, 09 Feb 2019) $ #$Revision: 213577 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/28/2242843.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_2242843 _cell_angle_alpha 90.000 _cell_angle_beta 131.781 _cell_angle_gamma 90.000 _cell_length_a 35.8175 _cell_length_b 10.5633 _cell_length_c 24.0946 _exptl_crystal_F_000 2656.00 _reflns_d_resolution_high 0.7790 _cod_data_source_file hb7792Isup2.hkl _cod_data_source_block I _shelx_title ' K-M in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 531.37 _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' '-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 4 0 0 282352.88 161263.34 3702.88 o 6 0 0 14576.81 20693.31 632.60 o 8 0 0 26463.58 24942.21 551.42 o 10 0 0 228788.97 243723.83 4037.39 o 12 0 0 26700.32 21436.55 558.12 o 14 0 0 47258.26 47408.47 1016.08 o 16 0 0 86.83 46.35 218.14 o 18 0 0 146.29 267.22 248.13 o 20 0 0 5030.21 5066.24 542.62 o 22 0 0 21889.43 21453.79 1000.70 o 24 0 0 6291.72 5889.70 651.68 o 26 0 0 9763.43 9718.01 858.92 o 28 0 0 5400.46 4493.63 629.87 o 30 0 0 6916.59 6306.25 555.15 o 32 0 0 168.48 -31.62 449.91 o 34 0 0 1653.74 1953.14 456.31 o 3 1 0 55178.33 45391.02 2869.87 o 5 1 0 34771.31 32418.62 361.10 o 7 1 0 31975.72 32402.13 382.53 o 9 1 0 39479.86 42101.25 535.87 o 11 1 0 1129.14 857.60 99.45 o 13 1 0 3703.52 4704.06 238.91 o 15 1 0 21.32 228.84 124.05 o 17 1 0 731.63 893.19 335.39 o 19 1 0 0.14 -67.69 163.04 o 21 1 0 446.80 612.52 178.34 o 23 1 0 914.39 815.80 202.56 o 25 1 0 388.82 685.51 220.16 o 27 1 0 460.75 571.02 340.25 o 29 1 0 1196.10 1318.95 544.18 o 31 1 0 2.49 -42.75 238.28 o 33 1 0 426.27 351.78 251.75 o 0 2 0 215.40 -12.62 92.31 o 2 2 0 3774.97 6942.34 121.49 o 4 2 0 122608.97 122561.63 1185.63 o 6 2 0 15704.92 13400.95 210.18 o 8 2 0 53170.16 54650.07 659.81 o 10 2 0 830.72 920.24 100.62 o 12 2 0 85805.73 88698.48 1052.94 o 14 2 0 57808.76 57905.69 853.73 o 16 2 0 2240.74 1687.05 184.40 o 18 2 0 6242.44 6430.63 337.10 o 20 2 0 5193.51 5026.14 383.50 o 22 2 0 21130.43 20734.38 598.57 o 24 2 0 1934.75 1884.39 258.53 o 26 2 0 24230.56 23828.73 723.67 o 28 2 0 5979.86 5843.95 427.37 o 30 2 0 6005.21 6165.00 696.70 o 32 2 0 2645.29 2724.90 359.89 o 1 3 0 19003.14 23696.94 322.48 o 3 3 0 3060.30 2478.80 107.11 o 5 3 0 25614.07 28609.45 355.29 o 7 3 0 8811.82 9233.12 254.05 o 9 3 0 24652.59 24820.21 351.37 o 11 3 0 1994.74 2928.00 156.05 o 13 3 0 12784.79 13430.91 327.30 o 15 3 0 11748.90 12060.63 383.66 o 17 3 0 426.98 483.37 177.85 o 19 3 0 13.75 -131.58 131.58 o 21 3 0 9.40 25.80 160.89 o 23 3 0 3206.06 3001.93 298.81 o 25 3 0 1803.55 2098.09 271.89 o 27 3 0 4408.06 4182.29 434.35 o 29 3 0 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0 52.77 54.15 298.76 o 27 5 0 3427.69 3462.11 374.24 o 29 5 0 3034.15 3355.68 439.39 o 31 5 0 606.93 404.12 269.85 o 0 6 0 500.58 257.28 101.93 o 2 6 0 104.74 94.20 75.32 o 4 6 0 92920.48 92839.05 1232.01 o 6 6 0 45416.02 47163.88 815.35 o 8 6 0 55273.85 55726.00 979.23 o 10 6 0 8714.06 8050.90 276.02 o 12 6 0 11042.95 12308.40 414.82 o 14 6 0 16675.27 16654.38 490.28 o 16 6 0 587.82 614.86 153.49 o 18 6 0 37422.05 37758.78 832.28 o 20 6 0 2380.38 2436.30 267.03 o 22 6 0 11540.64 12236.27 514.75 o 24 6 0 142.92 185.26 213.32 o 26 6 0 3626.34 4107.59 426.38 o 28 6 0 2434.17 1999.08 317.73 o 30 6 0 2913.39 2958.57 636.69 o 1 7 0 1324.46 1819.10 203.00 o 3 7 0 367.63 361.89 139.27 o 5 7 0 2099.09 1909.87 168.45 o 7 7 0 23243.70 22822.66 647.85 o 9 7 0 1478.68 1852.29 167.04 o 11 7 0 413.17 622.74 166.49 o 13 7 0 222.51 171.55 150.61 o 15 7 0 250.45 306.63 178.57 o 17 7 0 9092.23 8539.01 343.22 o 19 7 0 1152.38 975.87 226.76 o 21 7 0 2618.95 2941.06 301.86 o 23 7 0 37.94 -97.64 204.84 o 25 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