#------------------------------------------------------------------------------ #$Date: 2016-04-28 05:16:30 +0300 (Thu, 28 Apr 2016) $ #$Revision: 182310 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/31/1543170.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_1543170 _cell_angle_alpha 90.000 _cell_angle_beta 121.609 _cell_angle_gamma 90.000 _cell_length_a 29.0630 _cell_length_b 9.9393 _cell_length_c 25.6453 _exptl_crystal_F_000 3080.00 _reflns_d_resolution_high 0.8300 _cod_data_source_file bh4005Isup2.hkl _cod_data_source_block I _shelx_title ' datos in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1275.19 _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 16955.46 17842.31 479.09 o 6 0 0 402526.06 457081.03 9507.37 o 8 0 0 146789.06 159164.92 2499.63 o 10 0 0 118261.53 138049.36 2200.94 o 12 0 0 21963.13 21748.08 517.73 o 14 0 0 873.45 555.67 218.36 o 16 0 0 5427.04 5799.70 338.89 o 18 0 0 242419.66 263950.88 6130.71 o 20 0 0 2797.95 3618.41 537.90 o 22 0 0 40799.16 44220.35 1678.51 o 24 0 0 6993.34 7717.79 717.85 o 26 0 0 19026.40 20255.57 1471.85 o 28 0 0 19068.63 21181.58 2536.42 o 3 1 0 597.06 982.31 97.00 o 5 1 0 28179.75 33750.52 532.54 o 7 1 0 7239.38 9523.22 194.89 o 9 1 0 81081.12 90551.69 1079.94 o 11 1 0 1225.39 1847.77 156.39 o 13 1 0 161.44 222.40 157.48 o 15 1 0 60954.63 64267.10 1001.11 o 17 1 0 9799.03 11627.92 422.64 o 19 1 0 11705.93 13443.83 478.99 o 21 1 0 4.74 -93.72 332.99 o 23 1 0 1052.74 1300.80 384.61 o 25 1 0 1272.78 1804.65 449.23 o 27 1 0 618.25 732.62 720.40 o 29 1 0 1120.76 703.01 546.94 o 0 2 0 84.88 125.66 217.50 o 2 2 0 129616.85 150365.78 2018.37 o 4 2 0 229582.23 267776.16 2828.47 o 6 2 0 10226.76 11583.35 208.62 o 8 2 0 103679.29 114317.01 1290.25 o 10 2 0 141115.66 150928.11 1802.33 o 12 2 0 41497.43 46911.05 738.33 o 14 2 0 896.44 740.62 203.21 o 16 2 0 477.13 32.76 249.62 o 18 2 0 11168.12 13861.75 474.17 o 20 2 0 296.71 180.54 305.50 o 22 2 0 491.33 488.56 355.47 o 24 2 0 108.67 -53.87 407.49 o 26 2 0 1270.38 1097.59 456.61 o 28 2 0 1409.71 1015.86 534.28 o 1 3 0 28696.11 30381.91 636.76 o 3 3 0 55815.42 56173.80 675.76 o 5 3 0 39417.48 37680.75 480.17 o 7 3 0 62241.73 58840.25 691.57 o 9 3 0 9075.45 9529.81 227.99 o 11 3 0 63462.59 59272.41 842.97 o 13 3 0 14014.45 14050.86 369.59 o 15 3 0 22102.86 21392.09 538.29 o 17 3 0 2289.51 2169.56 302.14 o 19 3 0 421.09 428.68 307.23 o 21 3 0 8435.20 8941.82 597.01 o 23 3 0 4815.38 3781.11 581.02 o 25 3 0 5798.31 5644.88 521.52 o 27 3 0 4.52 -442.46 442.46 o 0 4 0 16412.34 14871.62 720.70 o 2 4 0 342.91 358.06 145.32 o 4 4 0 586.79 980.68 121.79 o 6 4 0 17182.52 16253.93 338.00 o 8 4 0 47087.22 49965.19 658.51 o 10 4 0 16021.06 15276.73 308.18 o 12 4 0 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400.42 o 20 6 0 1183.28 1036.33 417.75 o 22 6 0 192.46 -387.23 460.34 o 24 6 0 307.17 29.42 501.19 o 1 7 0 2981.31 2846.28 360.11 o 3 7 0 5000.45 4485.02 448.39 o 5 7 0 528.94 806.30 211.11 o 7 7 0 3.53 1062.00 174.43 o 9 7 0 680.41 529.44 215.36 o 11 7 0 1052.87 718.23 205.09 o 13 7 0 4.84 -95.77 232.39 o 15 7 0 2106.35 2751.97 319.99 o 17 7 0 1199.21 96.67 572.79 o 19 7 0 1326.93 1607.61 460.10 o 21 7 0 569.09 686.79 472.84 o 23 7 0 764.03 1489.32 545.48 o 0 8 0 5823.50 5994.33 651.14 o 2 8 0 3658.78 3573.04 412.50 o 4 8 0 3773.87 3168.17 478.83 o 6 8 0 4452.42 3151.69 279.50 o 8 8 0 2200.84 2755.76 218.55 o 10 8 0 3295.50 3291.26 307.38 o 12 8 0 1949.25 1380.05 307.02 o 14 8 0 55.33 89.55 312.95 o 16 8 0 932.77 1990.65 520.88 o 18 8 0 440.33 526.30 505.86 o 20 8 0 513.07 691.22 499.06 o 22 8 0 301.20 1178.77 534.32 o 1 9 0 118.77 -59.45 370.89 o 3 9 0 1019.32 402.18 449.99 o 5 9 0 1952.78 2361.66 391.11 o 7 9 0 5121.66 6040.26 424.97 o 9 9 0 3704.43 4540.37 315.48 o 11 9 0 2664.86 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