#------------------------------------------------------------------------------ #$Date: 2019-11-09 07:41:52 +0200 (Sat, 09 Nov 2019) $ #$Revision: 225414 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/85/2108517.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_2108517 _cell_angle_alpha 90.000 _cell_angle_beta 98.712 _cell_angle_gamma 90.000 _cell_length_a 8.1234 _cell_length_b 6.6252 _cell_length_c 8.5799 _exptl_crystal_F_000 224.00 _reflns_d_resolution_high 0.7401 _cod_data_source_file aw50283sup4.hkl _cod_data_source_block 3 _shelx_title ' v313_3_a.res in P2(1)/m' _shelx_refln_list_code 4 _shelx_f_calc_maximum 115.75 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' '-x, -y, -z' 'x, -y-1/2, z' 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 0 112.81 132.96 0.91 o 3 0 0 107.02 109.01 0.90 o 4 0 0 75.19 62.94 0.68 o 5 0 0 405.84 408.39 3.67 o 6 0 0 35.32 33.53 1.05 o 7 0 0 18.52 18.38 0.70 o 8 0 0 7.00 5.57 0.62 o 9 0 0 64.85 66.94 1.64 o 10 0 0 3.22 3.62 0.75 o 1 1 0 36.44 30.27 0.21 o 2 1 0 38.39 36.02 0.25 o 3 1 0 284.79 288.78 1.04 o 4 1 0 91.96 105.74 0.70 o 5 1 0 58.48 58.21 0.70 o 6 1 0 46.10 47.68 0.67 o 7 1 0 15.66 15.47 0.47 o 8 1 0 29.71 28.45 0.79 o 9 1 0 13.07 13.79 0.73 o 10 1 0 4.78 7.09 0.63 o 0 2 0 13397.09 11626.03 35.71 o 1 2 0 270.68 276.90 0.66 o 2 2 0 213.29 217.10 0.74 o 3 2 0 88.18 85.70 0.49 o 4 2 0 6.80 10.16 0.22 o 5 2 0 21.15 24.35 0.51 o 6 2 0 20.46 20.27 0.61 o 7 2 0 1.30 1.58 0.30 o 8 2 0 13.71 13.69 0.70 o 9 2 0 77.01 76.48 1.63 o 10 2 0 0.04 0.14 0.47 o 1 3 0 628.96 717.62 1.79 o 2 3 0 184.36 187.41 0.75 o 3 3 0 2.06 0.83 0.14 o 4 3 0 26.05 26.49 0.42 o 5 3 0 10.54 11.60 0.36 o 6 3 0 8.52 8.27 0.36 o 7 3 0 4.75 4.16 0.45 o 8 3 0 48.11 45.65 1.23 o 9 3 0 1.19 1.24 0.50 o 10 3 0 1.71 4.13 1.02 o 0 4 0 2137.84 2173.51 6.63 o 1 4 0 67.69 70.96 0.58 o 2 4 0 58.90 57.66 0.50 o 3 4 0 56.42 57.14 0.57 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