#------------------------------------------------------------------------------ #$Date: 2016-04-06 15:35:39 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181862 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/52/92/1529274.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1529274 _cell_angle_alpha 90 _cell_angle_beta 134.3678(20) _cell_angle_gamma 90 _cell_length_a 7.33924(30) _cell_length_b 11.42460(46) _cell_length_c 5.22523(24) _cod_data_source_file 1529274.hkl _cod_data_source_block 1529274 #BEGIN Tags that were not found in dictionaries: _shelx_f_squared_multiplier 1 #END Tags that were not found in dictionaries 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+1/2' 'x, y, z' 'x+1/2, -y+1/2, z+1/2' 'x+1/2, y+1/2, z' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc 0 2 0 0.00 0.00 0.00000 1 1 0 3.37 3.35 0.00000 1 -1 -1 3.36 3.37 180.00000 0 2 1 32.69 32.61 180.00000 2 -2 -1 33.64 33.30 180.00000 1 3 0 3.39 3.28 180.00000 1 -3 -1 3.12 2.96 180.00000 0 4 0 12.23 11.98 180.00000 2 0 0 9.68 9.86 0.00000 2 0 -2 9.51 9.46 180.00000 2 2 0 0.06 0.08 180.00000 2 -2 -2 0.09 0.10 180.00000 1 1 1 3.33 3.41 180.00000 1 -1 -2 0.54 0.54 180.00000 3 -1 -1 0.55 0.56 180.00000 3 -1 -2 2.92 3.10 180.00000 0 4 1 0.80 0.84 0.00000 2 -4 -1 1.37 1.15 180.00000 1 5 0 0.80 0.91 180.00000 1 -5 -1 1.05 1.21 0.00000 1 3 1 0.41 0.40 180.00000 1 -3 -2 2.29 2.34 0.00000 3 -3 -1 2.58 2.33 180.00000 3 -3 -2 0.67 0.61 0.00000 2 4 0 27.18 26.72 180.00000 2 -4 -2 27.55 27.21 0.00000 0 6 0 0.02 0.02 180.00000 0 0 2 14.51 13.68 180.00000 4 0 -2 14.19 13.61 180.00000 0 2 2 0.00 0.00 0.00000 4 -2 -2 0.06 0.04 180.00000 3 1 0 1.16 0.91 0.00000 3 -1 -3 1.03 1.00 0.00000 0 6 1 20.12 20.14 0.00000 2 -6 -1 19.10 19.89 0.00000 1 5 1 2.26 2.15 0.00000 1 -5 -2 2.09 1.94 0.00000 3 -5 -1 2.27 2.26 0.00000 3 -5 -2 1.97 1.95 0.00000 2 2 1 21.17 20.79 180.00000 2 -2 -3 18.23 17.12 0.00000 3 3 0 1.03 0.97 180.00000 4 -2 -1 17.39 16.50 180.00000 3 -3 -3 0.81 0.77 0.00000 4 -2 -3 19.99 19.92 0.00000 0 4 2 17.04 17.10 0.00000 1 7 0 1.07 1.00 0.00000 1 -7 -1 0.87 0.80 0.00000 4 -4 -2 17.09 16.83 0.00000 2 6 0 0.00 0.00 180.00000 2 -6 -2 0.01 0.01 0.00000 1 1 2 2.69 2.50 180.00000 1 -1 -3 0.93 0.87 0.00000 2 4 1 0.09 0.08 180.00000 2 -4 -3 0.14 0.13 0.00000 5 -1 -2 0.96 0.89 180.00000 4 -4 -1 0.05 0.05 0.00000 0 8 0 7.08 6.48 0.00000 5 -1 -3 2.77 2.53 0.00000 4 -4 -3 0.05 0.05 180.00000 3 5 0 2.05 1.98 180.00000 3 -5 -3 2.18 2.31 180.00000 1 3 2 1.31 1.28 0.00000 1 -3 -3 2.36 2.30 0.00000 5 -3 -2 2.15 2.21 0.00000 5 -3 -3 1.08 1.10 0.00000 1 7 1 1.22 1.24 0.00000 1 -7 -2 1.95 1.97 180.00000 3 -7 -1 1.44 1.39 0.00000 3 -7 -2 1.56 1.50 180.00000 0 8 1 0.36 0.35 0.00000 0 6 2 0.01 0.01 0.00000 2 -8 -1 0.14 0.14 180.00000 4 -6 -2 0.01 0.01 0.00000 4 0 0 7.72 7.60 0.00000 4 0 -4 7.52 7.86 0.00000 4 2 0 0.27 0.22 0.00000 4 -2 -4 0.16 0.14 180.00000 3 1 1 0.75 0.71 180.00000 3 -1 -4 1.69 1.64 0.00000 5 -1 -1 1.54 1.53 180.00000 5 -1 -4 0.60 0.59 0.00000 2 6 1 12.02 11.83 0.00000 2 8 0 15.84 15.58 0.00000 2 -8 -2 15.97 15.54 180.00000 2 -6 -3 16.47 15.89 180.00000 4 -6 -1 15.87 16.24 0.00000 4 -6 -3 11.54 12.09 180.00000 1 9 0 1.05 1.00 0.00000 1 -9 -1 1.35 1.28 180.00000 1 5 2 0.38 0.36 0.00000 1 -5 -3 0.65 0.62 180.00000 5 -5 -2 0.51 0.46 0.00000 5 -5 -3 0.46 0.43 180.00000 0 2 3 13.86 13.25 0.00000 3 3 1 1.85 1.67 180.00000 3 -3 -4 0.87 0.79 180.00000 5 -3 -1 0.75 0.67 180.00000 5 -3 -4 1.84 1.76 180.00000 6 -2 -3 13.26 13.26 0.00000 3 7 0 1.85 1.78 0.00000 4 4 0 12.89 12.32 180.00000 3 -7 -3 1.46 1.39 180.00000 4 -4 -4 12.39 11.79 180.00000 2 0 2 6.42 6.52 180.00000 2 0 -4 6.25 6.05 0.00000 6 0 -2 6.61 5.92 180.00000 6 0 -4 6.78 6.08 0.00000 2 2 2 0.02 0.02 0.00000 2 -2 -4 0.12 0.11 0.00000 0 10 0 0.01 0.01 0.00000 0 4 3 0.01 0.01 0.00000 6 -2 -2 0.11 0.12 0.00000 6 -2 -4 0.01 0.01 0.00000 0 8 2 10.78 10.45 180.00000 4 -8 -2 11.32 10.19 180.00000 6 -4 -3 0.00 0.00 0.00000 1 9 1 0.53 0.51 180.00000 1 -9 -2 0.96 0.91 180.00000 3 5 1 0.64 0.61 0.00000 3 -9 -1 1.30 1.23 180.00000 3 -9 -2 0.30 0.28 180.00000 3 -5 -4 0.63 0.57 180.00000 5 -5 -1 0.81 0.73 0.00000 5 -5 -4 0.50 0.47 180.00000 0 10 1 11.05 10.87 180.00000 2 4 2 10.48 10.22 0.00000 2 -10 -1 10.59 10.29 180.00000 1 7 2 0.35 0.34 180.00000 1 -7 -3 0.44 0.43 180.00000 2 -4 -4 11.02 10.61 180.00000 2 8 1 0.00 0.00 180.00000 2 -8 -3 0.01 0.01 0.00000 5 -7 -2 0.60 0.59 180.00000 4 6 0 0.01 0.01 180.00000 4 -8 -1 0.05 0.05 0.00000 5 -7 -3 0.28 0.28 180.00000 4 -8 -3 0.07 0.07 180.00000 6 -4 -2 10.12 10.24 0.00000 4 -6 -4 0.00 0.00 180.00000 6 -4 -4 9.81 10.18 180.00000 1 1 3 0.92 0.97 0.00000 1 -1 -4 0.36 0.37 0.00000 2 10 0 0.07 0.06 0.00000 2 -10 -2 0.00 0.00 180.00000 5 1 0 0.92 0.90 0.00000 0 6 3 9.37 9.17 180.00000 5 -1 -5 0.94 0.91 180.00000 7 -1 -3 0.40 0.42 0.00000 7 -1 -4 0.91 0.95 0.00000 6 -6 -3 7.75 8.47 180.00000 3 9 0 0.40 0.43 0.00000 3 -9 -3 0.59 0.65 0.00000 1 11 0 0.83 0.89 180.00000 1 -11 -1 0.52 0.56 180.00000 1 3 3 0.23 0.24 0.00000 1 -3 -4 0.57 0.60 180.00000 4 2 1 7.74 8.17 180.00000 4 -2 -5 10.83 10.39 180.00000 5 3 0 0.66 0.63 180.00000 6 -2 -1 10.68 10.42 180.00000 5 -3 -5 0.66 0.66 180.00000 3 7 1 0.40 0.41 0.00000 6 -2 -5 7.74 8.05 180.00000 3 -7 -4 0.49 0.51 0.00000 2 6 2 0.00 0.00 0.00000 7 -3 -3 0.49 0.50 0.00000 2 -6 -4 0.01 0.01 180.00000 7 -3 -4 0.28 0.29 180.00000 5 -7 -1 0.45 0.46 0.00000 5 -7 -4 0.58 0.59 0.00000 6 -6 -2 0.00 0.00 0.00000 6 -6 -4 0.01 0.01 180.00000 3 1 2 0.30 0.29 180.00000 0 10 2 0.02 0.02 180.00000 3 -1 -5 0.85 0.79 180.00000 4 4 1 0.01 0.01 180.00000 4 -10 -2 0.00 0.00 180.00000 4 -4 -5 0.00 0.00 180.00000 4 8 0 8.48 7.88 0.00000 6 -4 -1 0.00 0.00 180.00000 7 -1 -2 0.76 0.71 180.00000 4 -8 -4 8.53 7.93 0.00000 6 -4 -5 0.00 0.00 0.00000 7 -1 -5 0.29 0.28 180.00000 1 9 2 0.45 0.44 180.00000 1 5 3 0.88 0.86 180.00000 1 -9 -3 1.09 1.07 0.00000 1 -5 -4 0.87 0.86 180.00000 5 5 0 0.45 0.42 180.00000 5 -9 -2 0.91 0.86 180.00000 0 12 0 5.42 5.07 180.00000 5 -9 -3 0.63 0.59 0.00000 1 11 1 0.75 0.71 180.00000 1 -11 -2 0.41 0.39 0.00000 5 -5 -5 0.44 0.43 0.00000 3 3 2 0.71 0.69 0.00000 3 -11 -1 0.26 0.25 180.00000 3 -11 -2 0.92 0.90 0.00000 3 -3 -5 0.33 0.32 180.00000 7 -5 -3 0.97 0.95 180.00000 7 -5 -4 0.72 0.72 180.00000 2 10 1 8.17 7.95 180.00000 2 -10 -3 7.66 7.23 0.00000 4 -10 -1 7.66 7.29 180.00000 0 8 3 0.00 0.00 180.00000 4 -10 -3 8.31 7.95 0.00000 7 -3 -2 0.47 0.45 0.00000