#------------------------------------------------------------------------------ #$Date: 2016-04-06 15:35:39 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181862 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/52/92/1529275.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_1529275 _cell_angle_alpha 90 _cell_angle_beta 134.2794(20) _cell_angle_gamma 90 _cell_length_a 7.32393(32) _cell_length_b 11.41202(50) _cell_length_c 5.21863(25) _cod_data_source_file 1529275.hkl _cod_data_source_block 1529275 #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 2.55 2.55 0.00000 1 -1 -1 2.38 2.38 180.00000 0 2 1 24.57 24.53 180.00000 2 -2 -1 25.22 24.81 180.00000 1 3 0 2.47 2.41 180.00000 1 -3 -1 2.33 2.22 180.00000 0 4 0 9.23 9.01 180.00000 2 0 0 7.33 7.44 0.00000 2 0 -2 7.17 7.04 180.00000 2 2 0 0.05 0.06 180.00000 2 -2 -2 0.06 0.07 180.00000 1 1 1 2.39 2.57 180.00000 1 -1 -2 0.40 0.39 180.00000 3 -1 -1 0.42 0.44 180.00000 3 -1 -2 2.08 2.28 180.00000 0 4 1 0.56 0.62 0.00000 2 -4 -1 1.01 0.89 180.00000 1 5 0 0.55 0.68 180.00000 1 -5 -1 0.75 0.94 0.00000 1 3 1 0.32 0.31 180.00000 1 -3 -2 1.70 1.70 0.00000 3 -3 -1 1.92 1.80 180.00000 3 -3 -2 0.53 0.49 0.00000 2 4 0 20.69 20.21 180.00000 2 -4 -2 21.22 20.55 0.00000 0 6 0 0.01 0.01 180.00000 0 0 2 10.52 10.17 180.00000 4 0 -2 11.41 10.56 180.00000 0 2 2 0.00 0.00 0.00000 4 -2 -2 0.04 0.03 180.00000 3 1 0 0.85 0.65 0.00000 3 -1 -3 0.85 0.85 0.00000 0 6 1 15.60 15.34 0.00000 2 -6 -1 14.82 15.09 0.00000 1 5 1 1.72 1.68 0.00000 1 -5 -2 1.70 1.58 0.00000 3 -5 -1 1.58 1.61 0.00000 3 -5 -2 1.43 1.43 0.00000 2 2 1 16.43 15.74 180.00000 2 -2 -3 13.79 13.09 0.00000 3 3 0 0.80 0.77 180.00000 4 -2 -1 13.09 12.62 180.00000 3 -3 -3 0.58 0.56 0.00000 4 -2 -3 14.95 15.16 0.00000 0 4 2 13.29 13.14 0.00000 1 7 0 0.82 0.77 0.00000 1 -7 -1 0.69 0.63 0.00000 4 -4 -2 12.71 12.65 0.00000 2 6 0 0.00 0.00 180.00000 2 -6 -2 0.01 0.01 0.00000 1 1 2 2.10 1.94 180.00000 1 -1 -3 0.70 0.64 0.00000 2 4 1 0.05 0.04 180.00000 2 -4 -3 0.10 0.09 0.00000 5 -1 -2 0.80 0.76 180.00000 4 -4 -1 0.04 0.04 0.00000 0 8 0 5.18 4.96 0.00000 5 -1 -3 1.90 1.90 0.00000 4 -4 -3 0.06 0.06 180.00000 3 5 0 1.62 1.56 180.00000 3 -5 -3 1.60 1.74 180.00000 1 3 2 0.95 0.99 0.00000 1 -3 -3 1.73 1.79 0.00000 5 -3 -2 1.62 1.68 0.00000 5 -3 -3 0.84 0.86 0.00000 1 7 1 0.94 0.97 0.00000 1 -7 -2 1.52 1.53 180.00000 3 -7 -1 1.17 1.08 0.00000 3 -7 -2 1.25 1.15 180.00000 0 8 1 0.27 0.25 0.00000 0 6 2 0.01 0.01 0.00000 2 -8 -1 0.12 0.11 180.00000 4 -6 -2 0.01 0.01 0.00000 4 0 0 5.90 5.79 0.00000 4 0 -4 6.20 6.12 0.00000 4 2 0 0.19 0.15 0.00000 4 -2 -4 0.12 0.10 180.00000 3 1 1 0.66 0.58 180.00000 3 -1 -4 1.35 1.31 0.00000 5 -1 -1 1.17 1.19 180.00000 5 -1 -4 0.46 0.46 0.00000 2 6 1 9.01 9.14 0.00000 2 8 0 11.87 11.92 0.00000 2 -8 -2 12.21 12.03 180.00000 2 -6 -3 12.30 12.07 180.00000 4 -6 -1 11.91 12.43 0.00000 4 -6 -3 8.94 9.33 180.00000 1 9 0 0.81 0.77 0.00000 1 -9 -1 1.07 1.02 180.00000 1 5 2 0.30 0.29 0.00000 1 -5 -3 0.52 0.49 180.00000 5 -5 -2 0.40 0.37 0.00000 5 -5 -3 0.41 0.37 180.00000 0 2 3 10.86 10.14 0.00000 3 3 1 1.55 1.31 180.00000 3 -3 -4 0.69 0.66 180.00000 5 -3 -1 0.55 0.50 180.00000 5 -3 -4 1.43 1.35 180.00000 6 -2 -3 10.41 10.23 0.00000 3 7 0 1.45 1.39 0.00000 4 4 0 9.98 9.48 180.00000 3 -7 -3 1.16 1.09 180.00000 4 -4 -4 9.70 9.09 180.00000 2 0 2 5.14 5.12 180.00000 2 0 -4 5.26 4.75 0.00000 6 0 -2 5.02 4.48 180.00000 6 0 -4 4.93 4.51 0.00000 2 2 2 0.02 0.01 0.00000 2 -2 -4 0.07 0.07 0.00000 0 10 0 0.01 0.00 0.00000 0 4 3 0.01 0.01 0.00000 6 -2 -2 0.10 0.09 0.00000 6 -2 -4 0.01 0.01 0.00000 0 8 2 8.57 8.15 180.00000 4 -8 -2 8.07 7.82 180.00000 6 -4 -3 0.01 0.01 0.00000 1 9 1 0.43 0.39 180.00000 1 -9 -2 0.81 0.72 180.00000 3 5 1 0.54 0.47 0.00000 3 -9 -1 1.15 0.99 180.00000 3 -9 -2 0.31 0.27 180.00000 3 -5 -4 0.49 0.42 180.00000 5 -5 -1 0.71 0.64 0.00000 5 -5 -4 0.46 0.43 180.00000 0 10 1 8.51 8.30 180.00000 2 4 2 8.15 7.90 0.00000 2 -10 -1 8.64 8.13 180.00000 1 7 2 0.31 0.30 180.00000 1 -7 -3 0.40 0.37 180.00000 2 -4 -4 8.80 8.15 180.00000 2 8 1 0.00 0.00 180.00000 2 -8 -3 0.01 0.01 0.00000 5 -7 -2 0.50 0.46 180.00000 4 6 0 0.01 0.01 180.00000 4 -8 -1 0.05 0.04 0.00000 5 -7 -3 0.25 0.23 180.00000 4 -8 -3 0.06 0.06 180.00000 6 -4 -2 8.05 8.07 0.00000 4 -6 -4 0.00 0.00 180.00000 6 -4 -4 7.65 8.04 180.00000 1 1 3 0.76 0.77 0.00000 1 -1 -4 0.31 0.31 0.00000 2 10 0 0.04 0.04 0.00000 2 -10 -2 0.00 0.00 180.00000 5 1 0 0.82 0.77 0.00000 0 6 3 7.42 7.23 180.00000 5 -1 -5 0.71 0.69 180.00000 7 -1 -3 0.33 0.34 0.00000 7 -1 -4 0.74 0.77 0.00000 6 -6 -3 6.18 6.61 180.00000 3 9 0 0.37 0.39 0.00000 3 -9 -3 0.47 0.50 0.00000 1 11 0 0.68 0.71 180.00000 1 -11 -1 0.45 0.47 180.00000 1 3 3 0.22 0.23 0.00000 1 -3 -4 0.47 0.49 180.00000 4 2 1 6.03 6.44 180.00000 4 -2 -5 8.78 8.05 180.00000 5 3 0 0.55 0.50 180.00000 6 -2 -1 8.55 8.11 180.00000 5 -3 -5 0.60 0.59 180.00000 3 7 1 0.34 0.34 0.00000 6 -2 -5 6.06 6.28 180.00000 3 -7 -4 0.38 0.40 0.00000 2 6 2 0.00 0.00 0.00000 7 -3 -3 0.45 0.45 0.00000 2 -6 -4 0.01 0.01 180.00000 7 -3 -4 0.23 0.23 180.00000 5 -7 -1 0.40 0.41 0.00000 5 -7 -4 0.52 0.51 0.00000 6 -6 -2 0.00 0.00 0.00000 6 -6 -4 0.00 0.00 180.00000 3 1 2 0.25 0.26 180.00000 0 10 2 0.01 0.01 180.00000 3 -1 -5 0.72 0.68 180.00000 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 6.72 6.27 0.00000 6 -4 -1 0.00 0.00 180.00000 7 -1 -2 0.58 0.54 180.00000 4 -8 -4 6.60 6.12 0.00000 6 -4 -5 0.00 0.00 180.00000 7 -1 -5 0.25 0.24 180.00000 1 9 2 0.38 0.37 180.00000 1 5 3 0.74 0.71 180.00000 1 -9 -3 0.92 0.90 0.00000 1 -5 -4 0.73 0.71 180.00000 5 5 0 0.38 0.35 180.00000 5 -9 -2 0.73 0.67 180.00000 0 12 0 4.35 3.97 180.00000 5 -9 -3 0.54 0.49 0.00000 1 11 1 0.65 0.59 180.00000 1 -11 -2 0.37 0.34 0.00000 5 -5 -5 0.39 0.36 0.00000 3 3 2 0.64 0.58 0.00000 3 -11 -1 0.24 0.22 180.00000 3 -11 -2 0.81 0.73 0.00000 3 -3 -5 0.29 0.27 180.00000 7 -5 -3 0.78 0.75 180.00000 7 -5 -4 0.62 0.60 180.00000 2 10 1 6.64 6.28 180.00000 2 -10 -3 6.18 5.76 0.00000 4 -10 -1 6.11 5.72 180.00000 0 8 3 0.00 0.00 180.00000 4 -10 -3 6.62 6.22 0.00000 7 -3 -2 0.41 0.39 0.00000