#------------------------------------------------------------------------------ #$Date: 2021-06-12 08:10:38 +0300 (Sat, 12 Jun 2021) $ #$Revision: 266416 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/56/33/1563374.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_1563374 _cell_angle_alpha 90.000 _cell_angle_beta 109.164 _cell_angle_gamma 90.000 _cell_length_a 17.4184 _cell_length_b 10.2177 _cell_length_c 18.5136 _exptl_crystal_F_000 1440.00 _reflns_d_resolution_high 0.7782 _cod_data_source_file wm4147Isup2.hkl _cod_data_source_block I _shelx_title ' mo_Rajaseelan_cs14_0m in Cc No9' _shelx_refln_list_code 4 _shelx_f_calc_maximum 373.69 _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 3 1 -23 4258.51 4386.84 129.41 o 5 1 -23 1458.57 1409.96 70.08 o 7 1 -23 288.87 270.59 39.39 o 9 1 -23 1873.63 1862.32 80.29 o 11 1 -23 3773.84 3923.22 122.58 o 4 2 -23 1705.92 1647.92 76.59 o 6 2 -23 2453.15 2517.17 94.37 o 8 2 -23 309.14 315.43 41.55 o 10 2 -23 1559.94 1400.07 70.81 o 7 3 -23 150.56 106.81 31.76 o 9 3 -23 155.07 94.09 31.11 o 0 0 -22 2948.73 2883.35 138.95 o 2 0 -22 5382.62 5438.88 206.74 o 4 0 -22 1744.93 1709.83 106.44 o 6 0 -22 1583.78 1351.26 95.61 o 8 0 -22 2157.35 2121.26 117.72 o 10 0 -22 4358.40 4116.31 175.11 o 12 0 -22 5051.81 4853.36 196.34 o 14 0 -22 7904.71 7666.14 267.79 o 1 1 -22 552.98 542.51 48.59 o 3 1 -22 1061.86 1001.62 58.53 o 5 1 -22 489.35 476.37 44.26 o 7 1 -22 1252.78 1184.26 70.28 o 9 1 -22 591.10 583.19 48.14 o 11 1 -22 342.18 350.32 41.50 o 13 1 -22 380.95 357.79 42.22 o 0 2 -22 1704.07 1751.66 77.02 o 2 2 -22 1384.13 1373.24 100.73 o 4 2 -22 790.57 739.86 52.23 o 6 2 -22 29.24 33.61 24.62 o 8 2 -22 779.34 805.38 53.78 o 10 2 -22 1523.55 1448.63 70.45 o 12 2 -22 2595.77 2619.88 95.76 o 14 2 -22 4678.16 4646.40 133.66 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3039.90 83.94 o -3 1 -19 1612.68 1576.48 45.30 o -1 1 -19 1273.52 1253.71 38.81 o 1 1 -19 1120.17 1209.30 43.35 o 3 1 -19 4269.86 4349.23 115.76 o 5 1 -19 6409.23 6289.76 152.55 o 7 1 -19 6619.81 6527.22 156.64 o 9 1 -19 3818.29 3950.07 111.65 o 11 1 -19 4862.23 4819.34 157.69 o 13 1 -19 651.89 639.19 45.84 o 15 1 -19 1875.67 1794.31 70.96 o 17 1 -19 2125.83 2160.58 68.16 o -6 2 -19 1338.18 1369.04 53.10 o -4 2 -19 1907.29 1924.69 51.52 o -2 2 -19 2813.30 2822.10 60.15 o 0 2 -19 1255.75 1202.52 45.85 o 2 2 -19 2402.50 2343.66 61.30 o 4 2 -19 5657.83 5792.98 141.72 o 6 2 -19 4370.95 4369.94 120.38 o 8 2 -19 2418.31 2471.29 84.00 o 10 2 -19 3738.26 3652.65 105.86 o 12 2 -19 3206.15 3145.89 99.49 o 14 2 -19 2316.85 2273.39 68.63 o 16 2 -19 2998.56 2960.22 81.46 o 18 2 -19 1267.62 1257.13 67.07 o -5 3 -19 144.13 133.55 25.19 o -3 3 -19 109.29 85.42 18.44 o -1 3 -19 282.76 262.76 23.19 o 1 3 -19 421.51 380.29 30.36 o 3 3 -19 103.43 116.28 20.73 o 5 3 -19 37.40 30.70 21.69 o 7 3 -19 1729.78 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