#------------------------------------------------------------------------------ #$Date: 2017-08-10 08:24:39 +0300 (Thu, 10 Aug 2017) $ #$Revision: 199699 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/08/2020849.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_2020849 _cell_angle_alpha 90.000 _cell_angle_beta 100.376 _cell_angle_gamma 90.000 _cell_length_a 10.6134 _cell_length_b 15.7166 _cell_length_c 11.8754 _exptl_crystal_F_000 1112.00 _reflns_d_resolution_high 0.7800 _cod_data_source_file uk3137Isup2.hkl _cod_data_source_block I _shelx_title ' scan_0m_a.res in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 438.49 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_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 2 0 0 39681.86 38967.77 731.37 o 3 0 0 20361.33 18829.10 386.86 o 4 0 0 6184.38 6664.82 198.86 o 5 0 0 22522.60 22471.73 686.90 o 6 0 0 16405.77 16745.78 560.42 o 7 0 0 371.58 553.13 154.01 o 8 0 0 15831.24 17305.17 612.66 o 9 0 0 14010.88 13669.84 537.85 o 10 0 0 3703.80 3024.23 263.50 o 11 0 0 17097.69 16656.43 655.65 o 12 0 0 973.67 870.54 182.97 o 13 0 0 1862.06 1972.17 328.88 o 1 1 0 13934.98 12729.87 784.13 o 2 1 0 28078.46 28524.48 403.33 o 3 1 0 368.39 455.55 42.35 o 4 1 0 23106.65 23073.61 351.92 o 5 1 0 12068.18 12604.83 280.16 o 6 1 0 4133.70 3897.34 221.25 o 7 1 0 2290.40 2199.78 125.68 o 8 1 0 1672.48 1596.43 124.29 o 9 1 0 2235.43 2010.30 145.64 o 10 1 0 7132.33 7288.03 280.19 o 11 1 0 1.10 85.79 84.98 o 12 1 0 1175.60 1217.62 174.22 o 13 1 0 1335.95 1162.90 172.45 o 1 2 0 6389.51 7389.28 115.80 o 2 2 0 24258.81 24372.44 362.89 o 3 2 0 3569.41 3434.77 82.26 o 4 2 0 2535.14 2763.21 81.86 o 5 2 0 7016.56 6988.84 199.91 o 6 2 0 2633.15 2384.05 168.46 o 7 2 0 101.44 19.39 51.85 o 8 2 0 2142.97 2409.38 140.52 o 9 2 0 2896.64 2899.07 173.69 o 10 2 0 642.43 529.72 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