#------------------------------------------------------------------------------ #$Date: 2016-07-13 04:43:57 +0300 (Wed, 13 Jul 2016) $ #$Revision: 184426 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/36/1543659.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_1543659 _cell_angle_alpha 90.000 _cell_angle_beta 108.428 _cell_angle_gamma 90.000 _cell_length_a 27.4709 _cell_length_b 7.4230 _cell_length_c 31.4252 _exptl_crystal_F_000 2904.00 _reflns_d_resolution_high 0.8403 _cod_data_source_file xu4008Isup2.hkl _cod_data_source_block I _shelx_title ' 141225e in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 895.08 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_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 1716.93 1920.51 125.47 o 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98256.30 2592.76 o 6 2 0 28600.41 29537.15 848.64 o 8 2 0 8.96 -37.81 75.61 o 10 2 0 31986.93 32264.25 712.28 o 12 2 0 50566.11 52780.68 1093.48 o 14 2 0 22207.35 21897.62 559.87 o 16 2 0 14440.78 14285.28 436.90 o 18 2 0 5357.86 5709.91 318.63 o 20 2 0 1351.82 1209.90 209.76 o 22 2 0 3603.38 4045.85 380.11 o 24 2 0 9110.92 9897.60 619.91 o 26 2 0 10470.80 10794.80 756.27 o 28 2 0 4580.65 4516.33 566.61 o 30 2 0 826.46 933.27 601.32 o 1 3 0 915.17 579.00 246.11 o 3 3 0 448.73 51.09 181.53 o 5 3 0 22619.75 21750.78 636.43 o 7 3 0 29544.39 30165.92 831.32 o 9 3 0 3005.56 2550.09 205.56 o 11 3 0 2021.56 2166.93 422.73 o 13 3 0 113.40 260.45 120.91 o 15 3 0 3419.39 3683.42 341.32 o 17 3 0 13696.72 12563.24 569.89 o 19 3 0 29574.26 28975.72 1009.36 o 21 3 0 23805.22 23031.27 777.09 o 23 3 0 1390.73 1399.92 309.47 o 25 3 0 543.19 189.89 287.27 o 27 3 0 1457.21 2336.26 553.07 o 29 3 0 895.29 807.57 1106.87 o 0 4 0 47955.98 51991.49 1694.27 o 2 4 0 296.57 205.49 159.91 o 4 4 0 16113.38 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