#------------------------------------------------------------------------------ #$Date: 2016-08-27 04:51:34 +0300 (Sat, 27 Aug 2016) $ #$Revision: 186052 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/39/1543986.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_1543986 _cell_angle_alpha 90.000 _cell_angle_beta 112.994 _cell_angle_gamma 90.000 _cell_length_a 9.6719 _cell_length_b 13.4005 _cell_length_c 11.1874 _exptl_crystal_F_000 912.00 _reflns_d_resolution_high 0.8077 _cod_data_source_file hb4073Isup2.hkl _cod_data_source_block I _shelx_title ' p_a.res in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 442.72 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -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 2 0 0 16194.03 15497.18 220.58 o 4 0 0 847.60 941.96 17.87 o 6 0 0 1075.38 1111.12 23.19 o 8 0 0 6090.00 5919.16 115.54 o 10 0 0 1578.45 1619.17 55.21 o 1 1 0 3874.67 3754.77 36.68 o 2 1 0 7619.39 7493.49 68.13 o 3 1 0 225.64 214.61 4.50 o 4 1 0 32008.54 31170.45 301.40 o 5 1 0 50914.30 48068.10 476.52 o 6 1 0 375.80 339.83 10.08 o 7 1 0 921.26 886.26 15.60 o 8 1 0 5.47 -0.80 6.98 o 9 1 0 1962.05 1995.28 41.52 o 10 1 0 1029.16 1009.81 31.69 o 11 1 0 4.24 -5.48 21.97 o 0 2 0 25136.43 24321.69 348.03 o 1 2 0 40696.36 38159.24 369.94 o 2 2 0 3754.86 3593.66 35.66 o 3 2 0 602.51 662.07 8.47 o 4 2 0 343.56 368.03 6.59 o 5 2 0 10371.27 11193.69 131.02 o 6 2 0 382.65 364.23 13.14 o 7 2 0 1512.65 1516.79 20.62 o 8 2 0 1716.86 1664.29 31.49 o 9 2 0 13400.18 13324.05 200.91 o 10 2 0 348.80 270.12 18.47 o 1 3 0 9961.65 9736.15 94.62 o 2 3 0 1926.29 1947.06 20.38 o 3 3 0 114.82 106.24 3.52 o 4 3 0 92874.71 89111.05 828.05 o 5 3 0 250.36 259.78 7.97 o 6 3 0 195.19 188.46 9.71 o 7 3 0 102.87 60.41 5.51 o 8 3 0 208.99 197.75 15.45 o 9 3 0 25.33 37.65 10.94 o 10 3 0 1565.70 1514.47 38.87 o 0 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