#------------------------------------------------------------------------------ #$Date: 2016-04-06 15:35:39 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181862 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/52/92/1529277.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_1529277 _cell_angle_alpha 90 _cell_angle_beta 134.3250(23) _cell_angle_gamma 90 _cell_length_a 7.31297(36) _cell_length_b 11.38508(55) _cell_length_c 5.20846(29) _cod_data_source_file 1529277.hkl _cod_data_source_block 1529277 #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 4.42 4.35 0.00000 1 -1 -1 3.79 3.84 180.00000 0 2 1 42.01 42.23 180.00000 2 -2 -1 43.69 43.17 180.00000 1 3 0 3.84 3.74 180.00000 1 -3 -1 3.90 3.73 180.00000 0 4 0 16.31 16.08 180.00000 2 0 0 12.81 12.71 0.00000 2 0 -2 12.23 12.15 180.00000 2 2 0 0.04 0.05 180.00000 2 -2 -2 0.10 0.11 180.00000 1 1 1 3.50 3.89 180.00000 1 -1 -2 0.60 0.61 180.00000 3 -1 -1 0.74 0.78 180.00000 3 -1 -2 3.27 3.53 180.00000 0 4 1 0.94 1.01 0.00000 2 -4 -1 1.70 1.53 180.00000 1 5 0 0.94 1.14 180.00000 1 -5 -1 1.19 1.47 0.00000 1 3 1 0.47 0.44 180.00000 1 -3 -2 2.68 2.51 0.00000 3 -3 -1 2.91 2.85 180.00000 3 -3 -2 0.96 0.91 0.00000 2 4 0 33.33 33.10 180.00000 2 -4 -2 34.30 33.75 0.00000 0 6 0 0.02 0.02 180.00000 0 0 2 17.55 16.65 180.00000 4 0 -2 19.30 17.97 180.00000 0 2 2 0.01 0.01 0.00000 4 -2 -2 0.04 0.03 180.00000 3 1 0 1.18 0.88 0.00000 3 -1 -3 1.40 1.37 0.00000 0 6 1 25.38 24.96 0.00000 2 -6 -1 24.77 25.04 0.00000 1 5 1 2.77 2.61 0.00000 1 -5 -2 2.39 2.22 0.00000 3 -5 -1 2.32 2.24 0.00000 3 -5 -2 2.24 2.15 0.00000 2 2 1 26.10 25.13 180.00000 2 -2 -3 23.12 21.42 0.00000 3 3 0 1.27 1.20 180.00000 4 -2 -1 21.86 20.80 180.00000 3 -3 -3 0.81 0.77 0.00000 4 -2 -3 24.49 24.48 0.00000 0 4 2 22.00 21.55 0.00000 1 7 0 1.24 1.14 0.00000 1 -7 -1 1.10 1.01 0.00000 4 -4 -2 20.56 20.52 0.00000 2 6 0 0.00 0.00 0.00000 2 -6 -2 0.00 0.00 0.00000 1 1 2 3.02 2.79 180.00000 1 -1 -3 1.01 0.97 0.00000 2 4 1 0.07 0.06 180.00000 2 -4 -3 0.12 0.12 0.00000 5 -1 -2 1.23 1.22 180.00000 4 -4 -1 0.09 0.09 0.00000 0 8 0 7.97 7.81 0.00000 5 -1 -3 2.69 2.64 0.00000 4 -4 -3 0.12 0.12 180.00000 3 5 0 2.24 2.18 180.00000 3 -5 -3 2.32 2.45 180.00000 1 3 2 1.44 1.47 0.00000 1 -3 -3 2.51 2.56 0.00000 5 -3 -2 2.18 2.26 0.00000 5 -3 -3 1.21 1.29 0.00000 1 7 1 1.31 1.37 0.00000 1 -7 -2 2.21 2.30 180.00000 3 -7 -1 1.49 1.44 0.00000 3 -7 -2 1.54 1.47 180.00000 0 8 1 0.28 0.27 0.00000 0 6 2 0.01 0.01 0.00000 2 -8 -1 0.12 0.12 180.00000 4 -6 -2 0.02 0.02 0.00000 4 0 0 8.89 9.04 0.00000 4 0 -4 8.88 9.51 0.00000 4 2 0 0.16 0.14 0.00000 4 -2 -4 0.14 0.12 180.00000 3 1 1 0.90 0.81 180.00000 3 -1 -4 1.89 1.82 0.00000 5 -1 -1 1.67 1.69 180.00000 5 -1 -4 0.64 0.64 0.00000 2 6 1 14.67 14.72 0.00000 2 8 0 18.58 18.56 0.00000 2 -8 -2 18.75 18.54 180.00000 2 -6 -3 18.54 18.29 180.00000 4 -6 -1 17.73 18.33 0.00000 4 -6 -3 13.74 14.44 180.00000 1 9 0 1.04 1.03 0.00000 1 -9 -1 1.37 1.36 180.00000 1 5 2 0.49 0.48 0.00000 1 -5 -3 0.70 0.70 180.00000 5 -5 -2 0.53 0.50 0.00000 5 -5 -3 0.59 0.57 180.00000 0 2 3 16.27 15.62 0.00000 3 3 1 2.13 1.88 180.00000 3 -3 -4 1.12 0.98 180.00000 5 -3 -1 0.68 0.61 180.00000 5 -3 -4 1.74 1.72 180.00000 6 -2 -3 15.08 15.41 0.00000 3 7 0 2.00 1.95 0.00000 4 4 0 15.00 14.49 180.00000 3 -7 -3 1.45 1.40 180.00000 4 -4 -4 13.77 13.74 180.00000 2 0 2 7.18 7.74 180.00000 2 0 -4 7.15 7.23 0.00000 6 0 -2 6.97 6.54 180.00000 6 0 -4 7.13 6.50 0.00000 2 2 2 0.01 0.01 0.00000 2 -2 -4 0.09 0.08 0.00000 0 10 0 0.00 0.00 0.00000 0 4 3 0.02 0.02 0.00000 6 -2 -2 0.09 0.09 0.00000 6 -2 -4 0.02 0.02 0.00000 0 8 2 12.49 12.24 180.00000 4 -8 -2 12.17 11.41 180.00000 6 -4 -3 0.03 0.03 0.00000 1 9 1 0.66 0.60 180.00000 1 -9 -2 1.13 1.00 180.00000 3 5 1 0.72 0.62 0.00000 3 -9 -1 1.54 1.33 180.00000 3 -9 -2 0.45 0.39 180.00000 3 -5 -4 0.68 0.60 180.00000 5 -5 -1 1.00 0.94 0.00000 5 -5 -4 0.59 0.59 180.00000 0 10 1 12.90 12.51 180.00000 2 4 2 11.96 11.65 0.00000 2 -10 -1 11.95 11.61 180.00000 1 7 2 0.39 0.38 180.00000 1 -7 -3 0.56 0.54 180.00000 2 -4 -4 12.27 12.02 180.00000 2 8 1 0.00 0.00 0.00000 2 -8 -3 0.01 0.01 0.00000 5 -7 -2 0.65 0.63 180.00000 4 6 0 0.01 0.01 180.00000 4 -8 -1 0.05 0.05 0.00000 5 -7 -3 0.38 0.37 180.00000 4 -8 -3 0.08 0.08 180.00000 6 -4 -2 11.78 11.84 0.00000 4 -6 -4 0.00 0.00 180.00000 6 -4 -4 11.12 11.97 180.00000 1 1 3 0.97 1.00 0.00000 1 -1 -4 0.45 0.46 0.00000 2 10 0 0.04 0.04 0.00000 2 -10 -2 0.00 0.00 180.00000 5 1 0 1.10 1.06 0.00000 0 6 3 10.64 10.35 180.00000 5 -1 -5 0.88 0.84 180.00000 7 -1 -3 0.44 0.42 0.00000 7 -1 -4 0.97 0.97 0.00000 6 -6 -3 8.74 9.75 180.00000 3 9 0 0.50 0.56 0.00000 3 -9 -3 0.63 0.70 0.00000 1 11 0 0.88 0.92 180.00000 1 -11 -1 0.54 0.56 180.00000 1 3 3 0.31 0.32 0.00000 1 -3 -4 0.59 0.62 180.00000 4 2 1 9.00 9.48 180.00000 4 -2 -5 11.58 11.31 180.00000 5 3 0 0.70 0.68 180.00000 6 -2 -1 11.51 11.30 180.00000 5 -3 -5 0.80 0.81 180.00000 3 7 1 0.46 0.47 0.00000 6 -2 -5 8.69 9.01 180.00000 3 -7 -4 0.46 0.48 0.00000 2 6 2 0.00 0.00 0.00000 7 -3 -3 0.61 0.64 0.00000 2 -6 -4 0.01 0.01 180.00000 7 -3 -4 0.32 0.34 180.00000 5 -7 -1 0.53 0.56 0.00000 5 -7 -4 0.71 0.75 0.00000 6 -6 -2 0.00 0.00 0.00000 6 -6 -4 0.00 0.00 180.00000 3 1 2 0.35 0.35 180.00000 0 10 2 0.02 0.02 180.00000 3 -1 -5 0.89 0.84 180.00000 4 4 1 0.02 0.02 180.00000 4 -10 -2 0.00 0.00 180.00000 4 -4 -5 0.00 0.00 180.00000 4 8 0 9.69 8.67 0.00000 6 -4 -1 0.00 0.00 180.00000 7 -1 -2 0.65 0.59 180.00000 4 -8 -4 9.40 8.61 0.00000 6 -4 -5 0.00 0.00 180.00000 7 -1 -5 0.37 0.34 180.00000 1 9 2 0.48 0.44 180.00000 1 5 3 0.91 0.84 180.00000 1 -9 -3 1.09 1.01 0.00000 1 -5 -4 0.89 0.83 180.00000 5 5 0 0.47 0.42 180.00000 5 -9 -2 0.88 0.78 180.00000 0 12 0 5.92 5.26 180.00000 5 -9 -3 0.65 0.57 0.00000 1 11 1 0.84 0.76 180.00000 1 -11 -2 0.49 0.45 0.00000 5 -5 -5 0.50 0.46 0.00000 3 3 2 0.72 0.67 0.00000 3 -11 -1 0.34 0.31 180.00000 3 -11 -2 0.96 0.87 0.00000 3 -3 -5 0.38 0.35 180.00000 7 -5 -3 0.96 0.87 180.00000 7 -5 -4 0.86 0.77 180.00000 2 10 1 9.43 8.44 180.00000 2 -10 -3 8.95 8.05 0.00000 4 -10 -1 9.09 8.23 180.00000 0 8 3 0.00 0.00 180.00000 4 -10 -3 9.46 8.58 0.00000 7 -3 -2 0.54 0.49 0.00000