#------------------------------------------------------------------------------ #$Date: 2017-03-05 08:41:32 +0200 (Sun, 05 Mar 2017) $ #$Revision: 193939 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/10/2311091.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_2311091 _cell_angle_alpha 90.000 _cell_angle_beta 119.725 _cell_angle_gamma 90.000 _cell_length_a 48.2750 _cell_length_b 8.9320 _cell_length_c 24.6040 _exptl_crystal_F_000 3304.00 _reflns_d_resolution_high 0.8402 _cod_data_source_file dz5402sup2.hkl _cod_data_source_block I _shelx_title ' H's Bs fixed, noswat' _shelx_refln_list_code 4 _shelx_f_calc_maximum 490.04 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-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 0 -10 0 815.26 1494.38 387.38 o 2 -10 0 567.75 759.44 323.07 o 4 -10 0 292.10 165.36 266.42 o 6 -10 0 241.12 143.93 235.79 o 3 -9 0 1499.38 1613.20 254.88 o 5 -9 0 376.00 459.82 174.75 o 7 -9 0 871.76 1015.83 293.21 o 9 -9 0 58.04 256.83 166.34 o 11 -9 0 511.66 385.50 204.41 o 13 -9 0 42.66 -78.09 192.92 o 15 -9 0 237.13 248.94 199.35 o 0 -8 0 758.64 715.04 260.29 o 2 -8 0 91.70 268.10 183.74 o 4 -8 0 2868.29 2729.13 301.20 o 6 -8 0 304.43 294.60 266.42 o 8 -8 0 3381.60 3803.42 363.33 o 10 -8 0 76.01 -8.05 123.79 o 12 -8 0 872.67 1118.41 230.75 o 14 -8 0 605.14 650.66 248.81 o 16 -8 0 770.10 444.03 289.38 o 18 -8 0 146.14 197.52 283.26 o 1 -7 0 2095.67 2005.78 362.88 o 3 -7 0 4841.27 5478.38 606.33 o 5 -7 0 8604.69 9543.54 860.50 o 7 -7 0 1257.09 1351.43 227.36 o 9 -7 0 1820.86 2159.02 342.97 o 11 -7 0 3547.47 4280.29 365.04 o 13 -7 0 849.54 1149.65 212.01 x 15 -7 0 194.22 355.50 150.42 o 17 -7 0 198.37 199.05 246.51 o 19 -7 0 1379.84 1569.41 431.78 o 21 -7 0 4610.96 5216.56 721.16 o 23 -7 0 777.97 813.03 370.53 o 25 -7 0 333.52 -49.00 313.88 o 0 -6 0 7133.31 7093.73 649.20 o 2 -6 0 54.53 9.34 144.69 o 4 -6 0 136.23 43.55 122.33 o 6 -6 0 2623.75 2679.24 266.72 o 8 -6 0 288.17 256.39 229.67 o 10 -6 0 566.88 380.77 146.50 o 12 -6 0 2955.52 3324.08 418.00 o 14 -6 0 3053.02 2664.17 450.15 o 16 -6 0 213.71 372.06 241.92 o 18 -6 0 832.42 747.19 307.76 o 20 -6 0 767.47 1001.36 361.35 o 22 -6 0 165.10 148.52 254.17 o 24 -6 0 70.40 -261.82 292.45 o 30 -6 0 128.80 304.69 387.38 o 1 -5 0 1359.91 1233.37 174.90 o 3 -5 0 5508.15 5313.05 360.51 o 5 -5 0 1741.36 1868.45 290.91 o 7 -5 0 3695.07 3856.92 414.94 o 9 -5 0 3244.41 2843.31 353.69 o 11 -5 0 6669.84 8568.77 517.43 o 13 -5 0 2737.62 3159.14 294.71 o 15 -5 0 2270.45 2310.48 424.12 o 17 -5 0 1291.22 1298.40 359.82 o 19 -5 0 426.48 523.65 281.73 o 21 -5 0 228.55 260.29 284.79 o 23 -5 0 83.98 271.01 266.42 o 25 -5 0 121.78 281.73 264.89 o 27 -5 0 859.07 589.49 353.69 o 29 -5 0 1939.69 1932.29 502.21 o 31 -5 0 461.25 244.98 327.66 o 0 -4 0 7118.86 7937.38 635.42 o 2 -4 0 2129.42 2232.66 218.63 o 4 -4 0 1300.06 1263.16 172.14 o 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