#------------------------------------------------------------------------------ #$Date: 2016-06-18 04:41:54 +0300 (Sat, 18 Jun 2016) $ #$Revision: 183696 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/34/1543484.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_1543484 _cell_angle_alpha 90.000 _cell_angle_beta 96.964 _cell_angle_gamma 90.000 _cell_length_a 7.8524 _cell_length_b 14.8559 _cell_length_c 12.6646 _exptl_crystal_F_000 744.00 _reflns_d_resolution_high 0.8378 _cod_data_source_file wm4014Isup2.hkl _cod_data_source_block I _shelx_title ' BSUCA in P21/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 292.42 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_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 1 0 1 6.72 0.00 3.16 o -1 0 -1 6.72 7.11 4.74 o -1 0 -1 6.72 7.11 3.16 o 1 0 1 6.72 7.11 3.16 o 2 0 2 4577.36 4367.75 105.85 o 2 0 2 4577.36 4429.82 85.16 o 2 0 2 4577.36 4343.87 82.77 o 2 0 2 4577.36 4343.07 105.85 o -2 0 -2 4577.36 4320.79 77.20 o -2 0 -2 4577.36 4525.33 94.71 o -3 0 -3 560.50 749.72 25.28 o 3 0 3 560.50 823.19 45.82 o 3 0 3 560.50 778.16 48.98 o -3 0 -3 560.50 759.20 41.08 o -3 0 -3 560.50 857.95 25.28 o 3 0 3 560.50 797.12 32.39 o 3 0 3 560.50 631.22 30.02 o 4 0 4 1432.09 1485.36 53.75 o 4 0 4 1432.09 1495.63 52.17 o -4 0 -4 1432.09 1556.50 68.77 o -4 0 -4 1432.09 1464.80 34.78 o -4 0 -4 1432.09 1428.44 33.99 o 4 0 4 1432.09 1485.36 72.73 o 4 0 4 1432.09 1389.70 73.52 o 5 0 5 81.23 43.42 15.00 o -5 0 -5 81.23 89.22 24.48 o 5 0 5 81.23 68.69 18.16 o 5 0 5 81.23 92.37 18.95 o 6 0 6 125.76 253.44 50.53 o 6 0 6 125.76 172.12 28.42 o -6 0 -6 125.76 129.48 30.00 o 6 0 6 125.76 184.75 41.06 o 7 0 7 0.08 4.74 7.11 o 7 0 7 0.08 -11.05 12.63 o 7 0 7 0.08 7.89 13.42 o -1 -1 -1 167.83 196.69 10.27 o 1 -1 1 167.83 214.07 15.80 o 1 -1 1 167.83 219.60 11.85 o -1 -1 -1 167.83 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