#------------------------------------------------------------------------------ #$Date: 2017-07-25 11:46:57 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199050 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/80/2108088.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_2108088 _cell_angle_alpha 90.000 _cell_angle_beta 93.609 _cell_angle_gamma 90.000 _cell_length_a 7.3666 _cell_length_b 11.4352 _cell_length_c 25.8820 _exptl_crystal_F_000 1052.00 _reflns_d_resolution_high 0.7665 _cod_data_source_file ao5026150617a_0msup3.hkl _cod_data_source_block 150617a_0m _shelx_title ' 150617a_0m in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 225.42 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -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 1 0 0 2418.43 2433.71 168.92 o 2 0 0 12168.47 11655.80 1052.96 o 3 0 0 34132.98 34919.70 2377.06 o 4 0 0 4999.74 5288.74 376.28 o 5 0 0 2576.97 2812.84 211.26 o 6 0 0 3774.28 3631.84 277.17 o 7 0 0 867.61 923.21 109.23 o 8 0 0 327.74 398.53 76.10 o 9 0 0 3192.32 3343.42 469.33 o 1 1 0 5151.72 5446.58 275.17 o 2 1 0 12551.88 13452.58 591.76 o 3 1 0 128.71 149.28 17.16 o 4 1 0 5650.90 5719.22 258.89 o 5 1 0 11215.79 11449.83 511.41 o 6 1 0 1343.11 1462.32 112.46 o 7 1 0 2378.90 2368.06 159.89 o 8 1 0 1571.17 1718.49 343.95 o 9 1 0 44.31 55.86 92.91 o 0 2 0 1627.88 2028.02 224.13 o 1 2 0 2442.35 2583.48 133.52 o 2 2 0 11966.29 11923.80 524.38 o 3 2 0 5519.83 6293.80 283.01 o 4 2 0 198.65 174.20 20.05 o 5 2 0 1060.77 1049.79 62.01 o 6 2 0 396.00 408.05 51.89 o 7 2 0 1939.50 1942.93 139.82 o 8 2 0 294.19 168.78 81.73 o 9 2 0 169.09 158.80 73.81 o 1 3 0 13210.77 12932.21 647.61 o 2 3 0 890.53 1037.17 70.16 o 3 3 0 14.07 23.13 16.28 o 4 3 0 1386.25 1372.85 102.87 o 5 3 0 149.57 125.30 31.24 o 6 3 0 425.91 399.60 51.79 o 7 3 0 121.90 71.58 48.18 o 8 3 0 26.47 -25.30 42.90 o 9 3 0 106.82 195.75 73.29 o 0 4 0 5242.67 5274.38 573.41 o 1 4 0 5043.84 5065.47 260.78 o 2 4 0 3829.25 4171.32 339.54 o 3 4 0 7582.44 7230.60 356.11 o 4 4 0 2264.70 2171.99 108.54 o 5 4 0 2382.58 2657.80 131.81 o 6 4 0 1497.24 1373.51 112.74 o 7 4 0 378.11 275.80 66.27 o 8 4 0 88.95 80.26 113.34 o 9 4 0 360.78 402.19 96.05 o 1 5 0 13432.45 12609.76 766.05 o 2 5 0 13545.23 12843.47 651.58 o 3 5 0 61.48 44.34 15.99 o 4 5 0 6418.87 6452.21 294.03 o 5 5 0 3694.32 3512.24 169.27 o 6 5 0 82.52 27.52 45.09 o 7 5 0 1299.47 1627.72 178.83 o 8 5 0 2424.17 2697.12 281.60 o 9 5 0 25.79 -35.76 83.65 o 0 6 0 11136.54 12100.42 1296.25 o 1 6 0 718.46 694.73 85.79 o 2 6 0 11.29 26.08 14.85 o 3 6 0 15902.49 15620.38 794.35 o 4 6 0 1307.90 1252.35 86.37 o 5 6 0 809.64 799.87 58.68 o 6 6 0 5890.23 5573.55 419.80 o 7 6 0 833.24 873.97 121.96 o 8 6 0 507.56 551.88 109.38 o 1 7 0 5098.50 4751.37 639.18 o 2 7 0 3195.13 3052.67 207.29 o 3 7 0 60.38 69.54 23.55 o 4 7 0 410.47 467.54 42.95 o 5 7 0 1801.38 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