#------------------------------------------------------------------------------ #$Date: 2016-05-28 04:36:26 +0300 (Sat, 28 May 2016) $ #$Revision: 183118 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/75/2107541.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_2107541 _cell_angle_alpha 90.000 _cell_angle_beta 105.125 _cell_angle_gamma 90.000 _cell_length_a 8.4502 _cell_length_b 12.1807 _cell_length_c 10.3745 _exptl_crystal_F_000 672.00 _reflns_d_resolution_high 0.7534 _cod_data_source_file xk5029aPd_asup2.hkl _cod_data_source_block aPd_a _shelx_title ' JTPdSO in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 270.75 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_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 2 0 0 5312.68 5215.48 160.92 o 4 0 0 10897.60 11314.40 652.01 o 6 0 0 212.43 203.44 66.46 o 8 0 0 102.36 8.89 41.95 o 10 0 0 829.50 844.62 206.65 o 1 1 0 21503.21 21134.01 257.55 o 2 1 0 1453.74 1611.82 63.42 o 3 1 0 11293.98 10739.55 205.94 o 4 1 0 1660.38 1456.77 90.32 o 5 1 0 62.90 76.81 31.62 o 6 1 0 4.60 47.23 25.75 o 7 1 0 255.64 355.13 68.69 o 8 1 0 1123.30 1147.61 180.72 o 9 1 0 6.47 20.77 85.27 o 10 1 0 18.65 86.28 57.92 o 0 2 0 1207.81 1444.53 92.85 o 1 2 0 118.87 129.56 37.34 o 2 2 0 446.82 510.14 48.27 o 3 2 0 11496.10 11253.82 235.43 o 4 2 0 90.55 90.23 29.22 o 5 2 0 1733.17 1516.90 117.71 o 6 2 0 73.57 100.54 39.39 o 7 2 0 7866.20 8065.61 321.00 o 8 2 0 2.72 -19.21 28.15 o 9 2 0 26.13 54.27 51.94 o 10 2 0 2.40 -35.05 58.43 o 1 3 0 2242.69 2539.39 81.46 o 2 3 0 871.16 808.38 49.67 o 3 3 0 8623.71 8433.15 201.28 o 4 3 0 20658.01 20350.40 371.55 o 5 3 0 496.68 564.13 69.93 o 6 3 0 4736.49 5173.51 237.42 o 7 3 0 33.55 35.63 33.00 o 8 3 0 6346.67 6649.16 305.85 o 9 3 0 588.05 609.66 180.87 o 10 3 0 929.00 1057.92 244.51 o 0 4 0 19421.89 18928.84 325.17 o 1 4 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