#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:45:29 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181091 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/71/2217102.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_2217102_Fobs loop_ _publ_author_name 'Chartrand, Daniel' 'Laverdi\`ere, Fran\,cois' 'Hanan, Garry' _publ_section_title ; 3-Phenyl-6-(2-pyridyl)-1,2,4,5-tetrazine ; _journal_coeditor_code HJ2003 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o41 _journal_volume 64 _journal_year 2008 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 91.940 _cell_angle_gamma 90.000 _cell_length_a 5.3129 _cell_length_b 5.2867 _cell_length_c 18.9052 _exptl_crystal_F_000 244.00 _reflns_d_resolution_high 0.8322 _cod_data_source_file hj2003Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' gar156 in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 67.99 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_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 0 367.29 438.33 5.24 o 4 0 0 5.54 5.99 0.16 o 6 0 0 20.06 17.66 0.55 o 1 1 0 100.47 104.17 1.93 o 2 1 0 107.69 115.99 1.49 o 3 1 0 215.79 235.12 2.22 o 4 1 0 2.51 2.44 0.09 o 5 1 0 353.11 373.09 3.16 o 6 1 0 248.14 250.68 3.69 o 0 2 0 0.01 0.25 0.06 o 1 2 0 128.38 121.64 1.93 o 2 2 0 51.96 53.24 0.71 o 3 2 0 214.84 217.47 2.21 o 4 2 0 5.80 6.92 0.13 o 5 2 0 0.12 0.17 0.07 o 6 2 0 1.53 1.50 0.13 o 1 3 0 0.53 0.78 0.08 o 2 3 0 8.12 10.09 0.14 o 3 3 0 12.84 10.38 0.14 o 4 3 0 85.73 81.57 0.77 o 5 3 0 15.26 13.51 0.26 o 0 4 0 14.42 13.90 0.23 o 1 4 0 10.90 12.82 0.15 o 2 4 0 102.62 104.67 1.10 o 3 4 0 0.00 -0.04 0.08 o 4 4 0 0.04 0.15 0.09 o 1 5 0 221.32 234.48 1.75 o 2 5 0 70.17 71.87 0.87 o 3 5 0 11.93 12.90 0.19 o 0 6 0 15.23 14.61 0.31 o 1 6 0 0.23 0.20 0.08 o 2 6 0 0.04 0.04 0.10 o -5 0 1 23.15 25.70 0.55 o -3 0 1 0.02 0.67 0.10 o 3 0 1 203.17 203.78 3.79 o 5 0 1 24.38 25.43 0.36 o -6 1 1 130.28 130.24 2.80 o -5 1 1 220.30 240.03 2.13 o -4 1 1 0.23 0.43 0.06 o -3 1 1 27.99 40.46 0.77 o -2 1 1 640.19 658.51 10.31 o -1 1 1 1.00 1.56 0.05 o 0 1 1 2.88 2.79 0.07 o 1 1 1 9.56 10.09 0.17 o 2 1 1 49.76 60.62 0.92 o 3 1 1 13.33 17.19 0.34 o 4 1 1 23.55 23.93 0.25 o 5 1 1 0.00 0.34 0.07 o 6 1 1 42.68 37.54 0.27 o -6 2 1 0.73 0.87 0.10 o -5 2 1 10.40 10.71 0.19 o -4 2 1 3.38 4.16 0.11 o -3 2 1 1.10 1.34 0.07 o -2 2 1 16.91 22.08 0.21 o -1 2 1 308.89 301.58 3.37 o 0 2 1 2.35 3.03 0.20 o 1 2 1 386.26 373.64 3.92 o 2 2 1 22.68 24.72 0.35 o 3 2 1 338.96 337.33 2.15 o 4 2 1 69.37 71.63 0.61 o 5 2 1 13.77 15.10 0.23 o 6 2 1 0.14 0.18 0.11 o -5 3 1 5.50 5.27 0.15 o -4 3 1 76.29 75.69 0.94 o -3 3 1 0.00 0.09 0.06 o -2 3 1 46.80 42.15 0.51 o -1 3 1 36.42 33.90 0.55 o 0 3 1 89.99 90.17 1.06 o 1 3 1 55.07 58.01 0.59 o 2 3 1 10.94 10.93 0.13 o 3 3 1 31.31 28.29 0.37 o 4 3 1 50.58 45.61 0.40 o 5 3 1 47.73 44.99 0.45 o -4 4 1 7.14 6.95 0.18 o -3 4 1 4.71 4.60 0.15 o -2 4 1 60.22 63.32 0.68 o -1 4 1 285.21 287.90 2.28 o 0 4 1 3.00 3.08 0.09 o 1 4 1 4.76 5.04 0.12 o 2 4 1 3.21 3.57 0.11 o 3 4 1 6.70 6.60 0.16 o 4 4 1 3.03 3.96 0.13 o -3 5 1 0.86 0.91 0.09 o -2 5 1 46.88 49.34 0.52 o -1 5 1 218.66 235.42 2.56 o 0 5 1 101.76 108.02 1.08 o 1 5 1 146.30 155.89 1.27 o 2 5 1 7.09 7.08 0.17 o 3 5 1 27.48 27.88 0.32 o -2 6 1 10.80 10.53 0.50 o -1 6 1 3.16 3.38 0.13 o 0 6 1 4.09 4.46 0.15 o 1 6 1 0.01 0.10 0.08 o 2 6 1 0.05 0.11 0.11 o -6 0 2 62.57 60.04 0.48 o -4 0 2 2.55 3.58 0.16 o -2 0 2 48.12 42.04 0.42 o 2 0 2 1584.57 1740.90 37.59 o 4 0 2 1144.19 1225.56 14.24 o 6 0 2 22.50 23.25 0.33 o -6 1 2 10.49 9.86 0.18 o -5 1 2 87.00 92.90 0.79 o -4 1 2 0.30 0.76 0.07 o -3 1 2 783.45 813.74 11.63 o -2 1 2 1313.73 1446.60 19.80 o -1 1 2 1893.04 1866.12 19.49 o 0 1 2 135.40 106.08 1.71 o 1 1 2 99.76 81.85 1.40 o 2 1 2 13.68 15.96 0.27 o 3 1 2 2.89 5.64 0.11 o 4 1 2 0.00 0.13 0.05 o 5 1 2 1.75 2.07 0.10 o 6 1 2 4.88 6.36 0.15 o -6 2 2 2.66 2.89 0.16 o -5 2 2 55.40 52.23 0.57 o -4 2 2 6.79 5.58 0.17 o -3 2 2 13.00 15.09 0.20 o -2 2 2 14.25 16.45 0.22 o -1 2 2 89.17 82.76 1.14 o 0 2 2 166.41 154.22 1.55 o 1 2 2 702.54 673.03 5.52 o 2 2 2 667.21 710.33 8.01 o 3 2 2 46.37 51.09 0.32 o 4 2 2 35.74 38.20 0.32 o 5 2 2 1.81 1.51 0.10 o 6 2 2 9.49 9.32 0.24 o -5 3 2 11.19 11.55 0.19 o -4 3 2 88.69 92.52 1.09 o -3 3 2 33.25 34.86 0.50 o -2 3 2 31.68 30.47 0.26 o -1 3 2 28.76 26.68 0.45 o 0 3 2 361.06 388.90 4.47 o 1 3 2 175.05 183.16 2.09 o 2 3 2 28.48 30.48 0.21 o 3 3 2 12.66 12.68 0.15 o 4 3 2 21.29 19.15 0.28 o 5 3 2 7.47 6.39 0.16 o -4 4 2 32.97 34.40 0.49 o -3 4 2 16.65 16.82 0.28 o -2 4 2 0.91 0.77 0.09 o -1 4 2 102.95 101.85 0.73 o 0 4 2 4.86 4.54 0.11 o 1 4 2 7.65 6.68 0.12 o 2 4 2 0.12 0.30 0.08 o 3 4 2 3.71 3.02 0.12 o 4 4 2 2.62 2.34 0.11 o -3 5 2 0.43 0.73 0.09 o -2 5 2 0.32 0.52 0.09 o -1 5 2 17.10 17.91 0.25 o 0 5 2 48.69 55.08 0.63 o 1 5 2 18.14 19.87 0.23 o 2 5 2 10.09 11.32 0.19 o 3 5 2 5.52 6.05 0.14 o -2 6 2 4.13 4.22 0.24 o -1 6 2 0.00 0.35 0.08 o 0 6 2 90.42 91.16 1.27 o 1 6 2 9.37 9.83 0.19 o 2 6 2 5.59 5.36 0.33 o -5 0 3 67.14 72.03 0.75 o -3 0 3 79.51 89.07 1.90 o -1 0 3 878.87 847.11 7.53 o 1 0 3 2.57 4.84 0.09 o 3 0 3 6.39 6.62 0.18 o 5 0 3 1647.01 1667.09 20.14 o -6 1 3 1.59 1.37 0.11 o -5 1 3 0.00 0.39 0.10 o -4 1 3 2.75 2.44 0.09 o -3 1 3 23.53 22.60 0.48 o -2 1 3 71.54 90.14 1.20 o 0 1 3 3821.74 3270.75 33.72 o 1 1 3 5.39 7.26 0.17 o 2 1 3 408.74 443.35 3.21 o 3 1 3 2.44 4.29 0.10 o 4 1 3 20.94 21.42 0.20 o 5 1 3 0.23 0.28 0.07 o 6 1 3 1.90 1.75 0.09 o -6 2 3 142.05 129.97 4.66 o -5 2 3 47.27 46.68 0.55 o -4 2 3 30.92 28.73 0.32 o -3 2 3 1.88 2.20 0.09 o -2 2 3 2.60 3.89 0.13 o -1 2 3 16.71 16.09 0.23 o 0 2 3 15.47 16.94 0.32 o 1 2 3 63.87 56.93 0.47 o 2 2 3 270.51 297.02 4.02 o 3 2 3 2.80 4.47 0.10 o 4 2 3 35.26 38.80 0.37 o 5 2 3 0.37 0.62 0.08 o -5 3 3 6.71 6.12 0.16 o -4 3 3 65.26 68.01 0.66 o -3 3 3 19.29 20.07 0.30 o -2 3 3 0.43 0.75 0.10 o -1 3 3 1.66 1.46 0.07 o 0 3 3 167.92 188.03 2.04 o 1 3 3 268.02 279.39 2.14 o 2 3 3 0.37 0.32 0.05 o 3 3 3 0.39 0.27 0.06 o 4 3 3 3.47 3.55 0.13 o 5 3 3 0.02 0.11 0.07 o -4 4 3 25.88 26.45 0.29 o -3 4 3 46.74 47.06 0.47 o -2 4 3 320.02 316.56 3.90 o -1 4 3 34.20 33.94 0.39 o 0 4 3 0.95 0.96 0.07 o 1 4 3 1.14 1.30 0.08 o 2 4 3 1.15 1.34 0.09 o 3 4 3 112.12 110.15 1.08 o 4 4 3 0.80 0.68 0.09 o -3 5 3 16.36 17.42 0.22 o -2 5 3 21.06 20.84 0.31 o -1 5 3 0.22 0.26 0.10 o 0 5 3 22.44 23.86 0.29 o 1 5 3 0.37 0.46 0.09 o 2 5 3 0.22 0.18 0.08 o 3 5 3 95.77 94.42 1.04 o -1 6 3 62.52 58.32 1.05 o 0 6 3 108.08 107.74 1.03 o 1 6 3 31.97 32.46 0.36 o -6 0 4 5.17 5.63 0.24 o -4 0 4 332.14 349.72 5.65 o -2 0 4 5.78 6.88 0.23 o 0 0 4 252.08 238.37 3.88 o 2 0 4 0.01 2.84 0.11 o 4 0 4 496.01 503.71 8.08 o 6 0 4 48.70 43.11 0.67 o -6 1 4 4.25 3.86 0.13 o -5 1 4 3.26 3.81 0.17 o -4 1 4 6.84 6.25 0.14 o -3 1 4 1.94 3.41 0.12 o -2 1 4 217.91 226.82 3.01 o -1 1 4 4622.51 4227.69 24.13 o 0 1 4 2162.21 1853.05 34.00 o 1 1 4 558.43 509.09 8.34 o 2 1 4 175.01 213.61 2.71 o 3 1 4 91.39 96.59 0.99 o 4 1 4 3.72 3.60 0.10 o 5 1 4 1.98 1.93 0.11 o 6 1 4 0.46 0.39 0.08 o -5 2 4 66.10 62.79 1.10 o -4 2 4 82.70 78.56 0.70 o -3 2 4 9.36 8.32 0.14 o -2 2 4 4.19 5.32 0.21 o -1 2 4 1.02 1.38 0.08 o 0 2 4 26.62 29.24 0.38 o 1 2 4 0.00 0.44 0.08 o 2 2 4 12.42 12.05 0.31 o 3 2 4 0.03 0.21 0.05 o 4 2 4 70.49 74.37 0.76 o 5 2 4 3.16 4.52 0.13 o -5 3 4 7.22 7.04 0.17 o -4 3 4 12.80 14.22 0.31 o -3 3 4 21.56 21.97 0.33 o -2 3 4 125.39 118.36 1.30 o -1 3 4 4.68 4.41 0.10 o 0 3 4 26.75 24.60 0.27 o 1 3 4 202.85 200.01 1.33 o 2 3 4 6.27 5.44 0.10 o 3 3 4 28.66 28.80 0.29 o 4 3 4 16.85 17.86 0.23 o 5 3 4 11.14 10.52 0.17 o -4 4 4 1.88 2.34 0.12 o -3 4 4 19.17 19.41 0.26 o -2 4 4 529.62 551.87 5.93 o -1 4 4 163.48 158.39 1.14 o 0 4 4 16.52 17.16 0.17 o 1 4 4 9.07 9.11 0.14 o 2 4 4 18.31 18.66 0.26 o 3 4 4 25.11 20.93 0.24 o 4 4 4 91.58 83.69 1.50 o -3 5 4 18.36 17.12 0.21 o -2 5 4 48.24 46.90 0.86 o -1 5 4 12.08 12.68 0.21 o 0 5 4 0.92 1.22 0.11 o 1 5 4 2.83 2.98 0.13 o 2 5 4 0.69 0.40 0.08 o 3 5 4 54.09 51.10 0.59 o -1 6 4 1.29 1.39 0.10 o 0 6 4 53.11 53.31 0.54 o 1 6 4 100.42 89.96 1.30 o -5 0 5 4.88 6.06 0.29 o -3 0 5 1442.64 1370.68 16.60 o 1 0 5 40.13 40.74 0.50 o 3 0 5 0.01 0.19 0.06 o 5 0 5 74.89 80.16 0.78 o -6 1 5 16.37 16.15 0.38 o -5 1 5 3.26 3.89 0.18 o -4 1 5 0.92 1.04 0.09 o -3 1 5 3.96 5.33 0.14 o -2 1 5 18.47 17.59 0.69 o -1 1 5 289.76 260.54 5.60 o 0 1 5 642.38 591.06 9.11 o 1 1 5 90.23 89.06 1.10 o 2 1 5 879.05 878.92 12.85 o 3 1 5 662.90 674.48 5.29 o 4 1 5 215.34 215.20 2.37 o 5 1 5 5.06 5.28 0.15 o 6 1 5 1.23 1.26 0.11 o -5 2 5 0.89 1.39 0.11 o -4 2 5 37.84 42.26 0.41 o -3 2 5 37.91 39.16 0.61 o -2 2 5 97.89 101.95 0.88 o -1 2 5 145.19 152.01 1.95 o 0 2 5 512.16 522.73 2.02 o 1 2 5 3.17 3.97 0.12 o 2 2 5 3.16 2.79 0.11 o 3 2 5 8.09 7.92 0.12 o 4 2 5 9.15 10.16 0.19 o 5 2 5 2.68 2.23 0.11 o -5 3 5 41.41 38.38 0.43 o -4 3 5 1.01 1.13 0.12 o -3 3 5 12.17 11.17 0.29 o -2 3 5 20.74 20.99 0.28 o -1 3 5 38.39 30.75 0.23 o 0 3 5 110.08 95.46 0.96 o 1 3 5 242.83 240.56 2.38 o 2 3 5 10.47 11.74 0.13 o 3 3 5 13.99 15.18 0.19 o 4 3 5 0.01 0.19 0.08 o 5 3 5 56.26 54.19 0.89 o -4 4 5 16.95 18.02 0.22 o -3 4 5 5.16 5.35 0.16 o -2 4 5 59.47 62.85 0.68 o -1 4 5 131.84 135.71 1.03 o 0 4 5 35.99 35.44 0.42 o 1 4 5 32.01 33.06 0.32 o 2 4 5 50.93 52.94 0.50 o 3 4 5 2.26 2.69 0.25 o 4 4 5 18.19 16.35 0.22 o -3 5 5 19.12 16.88 0.30 o -2 5 5 9.82 10.05 0.22 o -1 5 5 10.88 11.20 0.20 o 0 5 5 14.43 15.05 0.22 o 1 5 5 1.03 1.14 0.11 o 2 5 5 0.23 0.35 0.09 o 3 5 5 0.50 0.63 0.09 o -1 6 5 1.46 1.23 0.10 o 0 6 5 11.12 9.79 0.17 o 1 6 5 3.28 2.87 0.14 o -6 0 6 0.91 1.88 0.16 o -4 0 6 88.41 85.93 2.01 o -2 0 6 63.69 58.23 0.75 o 0 0 6 196.00 160.48 4.41 o 2 0 6 21.93 20.30 0.68 o 4 0 6 55.18 54.31 1.19 o 6 0 6 0.00 0.01 0.14 o -6 1 6 101.45 94.28 0.92 o -5 1 6 49.56 48.41 0.79 o -4 1 6 1.67 2.13 0.13 o -3 1 6 0.37 0.55 0.07 o -2 1 6 47.36 46.27 1.11 o -1 1 6 1.24 2.91 0.35 o 0 1 6 20.47 24.65 0.31 o 1 1 6 167.60 152.05 1.08 o 2 1 6 0.00 1.45 0.15 o 3 1 6 163.73 144.38 1.48 o 4 1 6 498.11 506.42 3.57 o 5 1 6 90.48 94.38 0.81 o 6 1 6 0.81 1.34 0.17 o -5 2 6 0.31 0.63 0.11 o -4 2 6 42.28 43.48 0.76 o -3 2 6 22.97 26.21 0.27 o -2 2 6 1155.66 1111.00 11.44 o -1 2 6 1390.60 1428.67 10.51 o 0 2 6 528.95 573.75 7.59 o 1 2 6 24.36 27.74 0.36 o 2 2 6 5.15 3.67 0.09 o 3 2 6 3.10 2.40 0.08 o 4 2 6 1.10 1.18 0.09 o 5 2 6 2.78 3.69 0.14 o -5 3 6 16.58 17.48 0.32 o -4 3 6 1.69 2.98 0.46 o -3 3 6 189.30 188.70 3.28 o -2 3 6 57.44 55.49 0.60 o -1 3 6 3.91 4.02 0.10 o 0 3 6 103.13 97.86 0.89 o 1 3 6 213.33 201.57 1.08 o 2 3 6 0.10 0.52 0.06 o 3 3 6 1.47 1.47 0.10 o 4 3 6 0.86 0.84 0.09 o 5 3 6 31.94 28.71 0.46 o -4 4 6 10.27 7.80 0.16 o -3 4 6 0.00 0.05 0.09 o -2 4 6 0.09 0.50 0.11 o -1 4 6 0.08 0.12 0.07 o 0 4 6 9.78 9.67 0.15 o 1 4 6 25.83 26.43 0.25 o 2 4 6 97.51 105.83 1.30 o 3 4 6 192.87 201.84 2.97 o 4 4 6 2.56 3.04 0.12 o -3 5 6 2.82 3.01 0.12 o -2 5 6 75.41 69.90 0.83 o -1 5 6 0.38 1.11 0.12 o 0 5 6 5.03 5.22 0.16 o 1 5 6 0.53 0.49 0.09 o 2 5 6 19.90 19.53 0.33 o 3 5 6 12.20 10.55 0.18 o -1 6 6 17.56 18.70 0.48 o 0 6 6 8.46 7.07 0.18 o 1 6 6 3.64 3.30 0.18 o -5 0 7 7.32 8.50 0.37 o -3 0 7 18.50 17.13 0.26 o 1 0 7 2126.66 2168.47 46.11 o 3 0 7 1.09 1.40 0.21 o 5 0 7 5.66 5.35 0.22 o -6 1 7 9.39 8.66 0.35 o -5 1 7 1.72 1.64 0.14 o -4 1 7 66.72 62.72 0.82 o -3 1 7 0.03 0.38 0.09 o -2 1 7 45.17 44.04 0.84 o -1 1 7 53.30 50.36 1.83 o 0 1 7 8.84 7.83 0.14 o 1 1 7 21.15 19.99 0.20 o 2 1 7 1.94 3.98 0.12 o 3 1 7 184.14 168.49 1.31 o 4 1 7 484.08 499.27 5.05 o 5 1 7 53.36 53.61 0.51 o -5 2 7 0.03 0.13 0.10 o -4 2 7 0.69 1.13 0.17 o -3 2 7 8.65 8.05 0.16 o -2 2 7 1354.22 1155.19 11.08 o -1 2 7 647.36 590.86 2.20 o 0 2 7 119.41 132.29 1.99 o 1 2 7 95.16 90.28 1.10 o 2 2 7 27.49 22.39 0.26 o 3 2 7 20.27 19.71 0.19 o 4 2 7 0.46 0.58 0.08 o 5 2 7 1.07 0.87 0.09 o -5 3 7 0.57 0.70 0.11 o -4 3 7 15.30 16.65 0.31 o -3 3 7 438.05 459.21 8.03 o -2 3 7 171.46 166.44 1.31 o -1 3 7 2.88 3.75 0.11 o 0 3 7 44.65 42.48 0.54 o 1 3 7 28.88 29.32 0.24 o 2 3 7 20.75 24.06 0.22 o 3 3 7 106.95 107.45 0.71 o 4 3 7 3.90 4.01 0.13 o 5 3 7 4.97 6.42 0.17 o -4 4 7 15.48 14.27 0.21 o -3 4 7 0.19 0.54 0.11 o -2 4 7 11.67 12.59 0.25 o -1 4 7 22.58 24.21 0.31 o 0 4 7 0.51 0.97 0.08 o 1 4 7 0.01 0.10 0.08 o 2 4 7 62.18 64.02 0.50 o 3 4 7 257.98 268.57 3.39 o 4 4 7 26.65 25.52 0.36 o -3 5 7 3.78 2.99 0.13 o -2 5 7 5.60 5.15 0.16 o -1 5 7 4.30 4.83 0.16 o 0 5 7 18.72 16.73 0.29 o 1 5 7 0.23 0.17 0.09 o 2 5 7 28.31 27.52 0.34 o 3 5 7 18.68 16.02 0.22 o 0 6 7 10.95 10.43 0.25 o -6 0 8 7.26 6.31 0.38 o -4 0 8 34.83 30.60 1.46 o -2 0 8 18.97 17.28 2.43 o 0 0 8 179.17 154.32 2.73 o 2 0 8 1218.39 1351.76 14.48 o 4 0 8 92.00 104.09 3.03 o -5 1 8 63.77 58.46 1.30 o -4 1 8 182.39 172.57 2.11 o -3 1 8 1.27 1.31 0.11 o -2 1 8 304.31 303.80 3.23 o -1 1 8 160.19 178.00 0.72 o 0 1 8 53.16 52.71 1.00 o 1 1 8 5.75 10.50 0.19 o 2 1 8 13.65 13.94 0.24 o 3 1 8 36.77 33.88 0.25 o 4 1 8 54.97 56.13 0.46 o 5 1 8 11.03 10.81 0.19 o -5 2 8 1.45 1.26 0.14 o -4 2 8 2.32 2.21 0.16 o -3 2 8 28.01 27.10 0.43 o -2 2 8 207.38 216.16 2.94 o -1 2 8 416.48 398.94 8.41 o 0 2 8 77.58 72.91 0.68 o 1 2 8 137.40 124.20 1.24 o 2 2 8 152.37 144.00 1.19 o 3 2 8 70.66 70.21 0.68 o 4 2 8 44.56 41.74 0.57 o 5 2 8 32.58 30.51 0.54 o -5 3 8 9.52 8.68 0.38 o -4 3 8 7.64 8.62 0.24 o -3 3 8 294.03 304.80 2.79 o -2 3 8 223.05 215.48 2.76 o -1 3 8 8.87 9.98 0.16 o 0 3 8 129.73 124.75 1.42 o 1 3 8 2.43 2.26 0.09 o 2 3 8 0.56 0.87 0.08 o 3 3 8 6.18 7.03 0.16 o 4 3 8 2.05 1.36 0.10 o 5 3 8 23.68 27.84 0.39 o -4 4 8 1.27 1.40 0.14 o -3 4 8 0.08 0.08 0.10 o -2 4 8 5.09 5.34 0.20 o -1 4 8 36.15 35.68 0.41 o 0 4 8 55.22 57.62 0.77 o 1 4 8 19.59 18.99 0.27 o 2 4 8 18.28 18.90 0.37 o 3 4 8 36.65 39.10 0.43 o 4 4 8 19.23 18.18 0.32 o -3 5 8 7.89 7.47 0.23 o -2 5 8 1.87 1.71 0.12 o -1 5 8 1.92 1.73 0.11 o 0 5 8 24.04 21.44 0.37 o 1 5 8 48.43 43.42 0.32 o 2 5 8 33.74 32.14 0.42 o 3 5 8 7.82 6.52 0.32 o -5 0 9 11.75 11.77 0.49 o -3 0 9 10.02 9.88 0.30 o -1 0 9 66.46 59.78 2.09 o 1 0 9 395.86 438.04 13.73 o 3 0 9 1.26 1.76 0.11 o 5 0 9 0.01 0.54 0.13 o -5 1 9 9.58 10.42 0.40 o -4 1 9 54.17 53.78 2.21 o -3 1 9 51.79 48.14 0.60 o -2 1 9 0.29 1.39 0.13 o -1 1 9 860.99 840.57 5.34 o 0 1 9 144.76 139.76 2.22 o 1 1 9 4.90 4.45 0.12 o 2 1 9 0.35 0.29 0.05 o 3 1 9 15.07 13.49 0.17 o 4 1 9 0.87 0.89 0.08 o 5 1 9 1.99 2.39 0.10 o -5 2 9 0.00 0.17 0.14 o -4 2 9 61.59 69.02 1.04 o -3 2 9 5.81 6.04 0.18 o -2 2 9 1.13 2.94 0.13 o -1 2 9 57.75 59.47 0.95 o 0 2 9 63.67 59.78 0.98 o 1 2 9 87.65 76.44 0.66 o 2 2 9 111.89 106.75 0.76 o 3 2 9 374.37 365.36 2.54 o 4 2 9 187.89 176.53 1.36 o 5 2 9 36.36 32.47 0.29 o -5 3 9 18.93 19.16 0.90 o -4 3 9 2.57 2.48 0.17 o -3 3 9 101.34 103.40 0.89 o -2 3 9 221.16 212.83 2.65 o -1 3 9 29.80 32.20 0.74 o 0 3 9 33.48 30.88 0.35 o 1 3 9 54.44 56.09 0.77 o 2 3 9 143.65 143.46 1.86 o 3 3 9 8.20 8.55 0.17 o 4 3 9 0.19 0.35 0.08 o -4 4 9 1.08 1.84 0.14 o -3 4 9 42.99 44.50 1.84 o -2 4 9 2.07 3.11 0.18 o -1 4 9 23.35 21.95 0.36 o 0 4 9 129.28 127.76 1.26 o 1 4 9 8.96 11.38 0.20 o 2 4 9 2.21 2.10 0.12 o 3 4 9 0.00 0.10 0.08 o 4 4 9 0.33 0.39 0.10 o -3 5 9 1.55 2.02 0.19 o -2 5 9 5.68 7.59 0.19 o -1 5 9 4.28 4.03 0.16 o 0 5 9 9.21 7.71 0.17 o 1 5 9 13.42 13.39 0.20 o 2 5 9 2.14 2.10 0.10 o -4 0 10 5.96 6.02 0.66 o -2 0 10 1.13 1.12 0.23 o 0 0 10 14.40 15.64 0.41 o 2 0 10 14.56 14.77 0.32 o 4 0 10 10.22 11.48 0.31 o -5 1 10 0.57 0.76 0.20 o -4 1 10 3.18 2.66 0.26 o -3 1 10 8.38 8.93 0.23 o -2 1 10 98.73 91.01 1.69 o -1 1 10 180.06 205.07 2.79 o 0 1 10 34.09 32.37 0.67 o 1 1 10 42.80 41.11 0.69 o 2 1 10 2.90 2.63 0.08 o 3 1 10 25.93 24.43 0.30 o 4 1 10 4.49 4.34 0.13 o 5 1 10 4.23 3.61 0.14 o -5 2 10 23.96 20.75 0.54 o -4 2 10 196.38 230.90 10.02 o -3 2 10 270.96 264.62 2.88 o -2 2 10 30.60 28.71 0.43 o -1 2 10 5.32 5.19 0.14 o 0 2 10 10.60 8.99 0.16 o 1 2 10 1.22 2.40 0.12 o 2 2 10 54.92 52.53 0.46 o 3 2 10 563.66 539.41 4.20 o 4 2 10 42.54 44.67 0.40 o 5 2 10 2.81 1.98 0.12 o -4 3 10 12.40 12.20 0.32 o -3 3 10 209.72 215.60 2.00 o -2 3 10 348.39 360.93 3.30 o -1 3 10 2.14 1.77 0.12 o 0 3 10 0.30 0.66 0.08 o 1 3 10 77.39 78.86 1.06 o 2 3 10 465.31 484.05 5.43 o 3 3 10 35.68 38.08 0.68 o 4 3 10 1.01 0.97 0.09 o -4 4 10 2.48 2.43 0.16 o -3 4 10 23.38 22.69 0.64 o -2 4 10 11.69 14.68 0.30 o -1 4 10 0.53 0.45 0.10 o 0 4 10 67.67 64.14 0.73 o 1 4 10 8.70 9.39 0.19 o 2 4 10 1.96 2.35 0.12 o 3 4 10 5.53 5.06 0.16 o -2 5 10 6.84 8.88 0.20 o -1 5 10 0.33 0.72 0.10 o 0 5 10 0.74 0.66 0.10 o 1 5 10 0.04 0.39 0.08 o 2 5 10 0.29 0.44 0.08 o -3 0 11 90.94 84.45 1.01 o -1 0 11 14.67 15.58 0.33 o 1 0 11 61.78 60.46 1.47 o 3 0 11 6.24 5.57 0.18 o 5 0 11 43.59 47.69 0.90 o -5 1 11 2.99 2.43 0.32 o -4 1 11 2.43 3.07 0.43 o -3 1 11 6.01 5.18 0.22 o -2 1 11 0.06 0.47 0.11 o -1 1 11 6.10 8.68 0.57 o 0 1 11 255.61 231.18 3.03 o 1 1 11 450.17 416.95 4.50 o 2 1 11 0.67 1.55 0.08 o 3 1 11 96.17 86.02 1.10 o 4 1 11 19.93 17.07 0.32 o 5 1 11 4.79 5.06 0.16 o -5 2 11 21.63 19.49 0.62 o -4 2 11 215.42 230.13 4.30 o -3 2 11 319.18 330.67 1.75 o -2 2 11 1.97 2.47 0.51 o -1 2 11 72.38 75.31 0.99 o 0 2 11 5.18 6.86 0.16 o 1 2 11 1.32 1.25 0.08 o 2 2 11 88.69 82.63 0.83 o 3 2 11 114.28 115.28 1.31 o 4 2 11 41.86 40.62 0.39 o 5 2 11 19.91 22.99 0.71 o -4 3 11 10.18 10.46 0.40 o -3 3 11 174.07 204.75 11.44 o -2 3 11 218.35 212.57 4.61 o -1 3 11 0.16 0.49 0.09 o 0 3 11 37.29 38.86 0.60 o 1 3 11 23.07 23.64 0.29 o 2 3 11 261.56 264.16 2.05 o 3 3 11 66.46 68.45 0.77 o 4 3 11 6.51 6.56 0.15 o -3 4 11 0.03 0.41 0.13 o -2 4 11 0.01 0.06 0.12 o -1 4 11 17.01 15.01 0.31 o 0 4 11 19.03 16.12 0.24 o 1 4 11 0.10 0.27 0.09 o 2 4 11 3.59 4.73 0.15 o 3 4 11 0.84 1.04 0.09 o -2 5 11 6.21 5.43 0.18 o -1 5 11 24.54 23.49 0.41 o 0 5 11 0.02 0.42 0.09 o 1 5 11 0.74 0.79 0.08 o 2 5 11 6.12 6.85 0.15 o -2 0 12 676.55 710.18 3.79 o 0 0 12 13.21 11.56 0.25 o 2 0 12 10.35 9.34 0.19 o 4 0 12 6.47 6.75 0.22 o -4 1 12 0.03 0.12 0.27 o -3 1 12 0.01 0.20 0.20 o -2 1 12 0.07 1.04 0.24 o -1 1 12 0.51 0.37 0.09 o 0 1 12 71.73 72.95 1.81 o 1 1 12 66.46 72.54 0.91 o 2 1 12 3.23 3.69 0.11 o 3 1 12 2.07 1.94 0.13 o 4 1 12 78.71 68.75 0.96 o 5 1 12 7.66 7.85 0.15 o -5 2 12 42.64 36.45 0.77 o -4 2 12 1.63 1.96 0.39 o -3 2 12 14.06 14.73 0.51 o -2 2 12 7.61 6.50 0.22 o -1 2 12 61.07 58.88 1.04 o 0 2 12 21.63 21.47 0.26 o 1 2 12 106.83 101.51 1.41 o 2 2 12 0.42 0.51 0.11 o 3 2 12 4.21 4.76 0.14 o 4 2 12 10.46 9.93 0.17 o -4 3 12 25.32 25.29 1.38 o -3 3 12 28.73 34.56 0.62 o -2 3 12 46.86 52.24 1.31 o -1 3 12 0.00 0.11 0.12 o 0 3 12 55.49 53.02 1.14 o 1 3 12 37.08 37.64 0.73 o 2 3 12 90.70 97.17 1.50 o 3 3 12 43.31 44.89 0.41 o 4 3 12 15.99 17.48 0.28 o -3 4 12 8.38 7.85 0.28 o -2 4 12 0.40 0.60 0.14 o -1 4 12 41.11 35.04 0.91 o 0 4 12 24.46 21.34 0.32 o 1 4 12 0.14 0.18 0.09 o 2 4 12 35.58 38.08 0.52 o 3 4 12 0.98 1.03 0.08 o -2 5 12 1.25 0.88 0.13 o -1 5 12 44.39 44.02 0.70 o 0 5 12 12.50 10.93 0.23 o 1 5 12 1.05 1.04 0.09 o -1 0 13 218.39 236.99 1.97 o 1 0 13 9.20 8.99 0.22 o 3 0 13 0.05 0.08 0.11 o 5 0 13 3.28 3.29 0.25 o -3 1 13 0.13 0.18 0.28 o -2 1 13 1.08 1.20 0.17 o -1 1 13 0.42 0.41 0.10 o 0 1 13 16.24 15.99 0.40 o 1 1 13 4.89 6.53 0.32 o 2 1 13 1.64 1.67 0.09 o 3 1 13 59.23 56.85 0.79 o 4 1 13 44.93 42.06 0.59 o -4 2 13 2.67 2.86 0.27 o -3 2 13 15.90 14.84 0.53 o -2 2 13 30.55 31.73 1.36 o -1 2 13 81.63 77.41 1.40 o 0 2 13 117.14 111.08 2.13 o 1 2 13 341.21 339.66 6.02 o 2 2 13 159.08 173.31 3.19 o 3 2 13 10.00 8.78 0.20 o 4 2 13 0.09 0.10 0.07 o -4 3 13 3.43 4.01 0.34 o -3 3 13 50.82 53.53 0.93 o -2 3 13 0.36 0.34 0.14 o -1 3 13 0.02 0.11 0.13 o 0 3 13 5.95 7.86 0.23 o 1 3 13 71.60 73.41 1.05 o 2 3 13 200.24 210.29 2.33 o 3 3 13 111.84 112.72 1.32 o 4 3 13 4.65 5.10 0.15 o -3 4 13 118.08 116.70 0.78 o -2 4 13 1.73 1.92 0.17 o -1 4 13 4.10 3.62 0.18 o 0 4 13 6.82 5.24 0.18 o 1 4 13 2.72 3.06 0.14 o 2 4 13 18.37 17.34 0.23 o 3 4 13 1.16 1.13 0.10 o -1 5 13 12.08 12.43 0.69 o 0 5 13 15.02 15.05 0.44 o 1 5 13 0.88 0.88 0.12 o 0 0 14 41.03 43.14 0.53 o 2 0 14 88.11 79.49 1.76 o 4 0 14 0.02 0.18 0.11 o -2 1 14 24.07 23.03 0.47 o -1 1 14 0.03 0.21 0.13 o 0 1 14 18.37 18.10 0.52 o 1 1 14 11.09 11.49 0.19 o 2 1 14 7.65 7.60 0.23 o 3 1 14 0.19 0.37 0.09 o 4 1 14 0.51 1.32 0.09 o -3 2 14 3.13 3.33 0.44 o -2 2 14 0.42 0.42 0.22 o -1 2 14 37.86 35.80 1.27 o 0 2 14 10.99 14.99 0.52 o 1 2 14 313.93 322.59 2.57 o 2 2 14 145.15 152.41 1.90 o 3 2 14 0.46 0.66 0.09 o 4 2 14 3.31 2.70 0.10 o -4 3 14 1.21 0.94 0.26 o -3 3 14 0.89 0.61 0.18 o -2 3 14 5.34 3.60 0.26 o -1 3 14 16.37 15.71 0.78 o 0 3 14 0.80 1.78 0.17 o 1 3 14 25.23 25.84 0.47 o 2 3 14 188.64 198.32 3.02 o 3 3 14 74.59 75.64 1.42 o -3 4 14 95.34 91.26 0.82 o -2 4 14 14.06 14.47 0.30 o -1 4 14 16.22 14.92 0.59 o 0 4 14 0.63 0.73 0.12 o 1 4 14 0.11 1.00 0.12 o 2 4 14 0.64 0.70 0.08 o -1 0 15 4.65 4.65 0.45 o 1 0 15 9.13 9.16 0.35 o 3 0 15 192.10 168.03 1.81 o -1 1 15 0.99 1.15 0.25 o 0 1 15 49.41 44.11 0.81 o 1 1 15 3.44 4.18 0.17 o 2 1 15 0.11 0.07 0.11 o 3 1 15 0.21 0.55 0.10 o 4 1 15 1.18 1.99 0.09 o -2 2 15 3.12 4.55 0.38 o -1 2 15 29.29 32.15 0.69 o 0 2 15 124.66 143.38 5.34 o 1 2 15 21.32 21.66 0.62 o 2 2 15 1.27 2.93 0.37 o 3 2 15 2.77 3.82 0.14 o 4 2 15 11.63 10.60 0.18 o -3 3 15 3.78 3.64 0.29 o -2 3 15 26.62 26.33 0.51 o -1 3 15 52.22 47.87 1.33 o 0 3 15 0.21 0.00 0.14 o 1 3 15 19.84 21.65 0.32 o 2 3 15 31.26 36.26 0.78 o 3 3 15 6.63 7.68 0.23 o -2 4 15 2.49 2.55 0.20 o -1 4 15 6.88 9.84 0.36 o 0 4 15 0.14 0.39 0.12 o 1 4 15 56.90 61.91 1.11 o 2 4 15 3.13 3.82 0.15 o 0 0 16 0.03 0.27 0.24 o 2 0 16 74.13 67.26 2.31 o 4 0 16 27.47 22.17 0.58 o -1 1 16 1.98 1.84 0.38 o 0 1 16 206.10 211.58 5.38 o 1 1 16 61.69 65.31 1.56 o 2 1 16 0.13 0.26 0.11 o 3 1 16 3.54 3.83 0.15 o 4 1 16 0.08 0.34 0.07 o -1 2 16 8.84 8.53 0.39 o 0 2 16 33.94 41.61 3.51 o 1 2 16 0.00 1.06 0.14 o 2 2 16 10.15 10.82 0.23 o 3 2 16 11.90 12.50 0.21 o -3 3 16 7.81 7.20 0.42 o -2 3 16 0.92 1.80 0.29 o -1 3 16 27.92 23.84 0.91 o 0 3 16 0.60 0.27 0.14 o 1 3 16 3.14 3.21 0.18 o 2 3 16 17.83 18.49 0.32 o 3 3 16 0.00 0.07 0.09 o -2 4 16 0.49 1.20 0.22 o -1 4 16 2.77 4.01 0.21 o 0 4 16 11.70 11.11 0.25 o 1 4 16 85.58 80.71 2.20 o 1 0 17 8.94 9.22 0.78 o 3 0 17 45.81 40.85 0.84 o 0 1 17 198.13 203.60 3.76 o 1 1 17 212.93 208.52 7.89 o 2 1 17 3.91 3.35 0.18 o 3 1 17 6.90 7.18 0.19 o -1 2 17 1.95 1.69 0.34 o 0 2 17 0.12 0.84 0.22 o 1 2 17 7.62 8.03 0.26 o 2 2 17 3.18 3.24 0.15 o 3 2 17 1.54 1.36 0.10 o -2 3 17 6.50 6.45 0.42 o -1 3 17 19.18 22.56 0.72 o 0 3 17 0.68 0.97 0.17 o 1 3 17 3.82 3.88 0.23 o 2 3 17 3.55 3.44 0.14 o -1 4 17 3.09 3.04 0.21 o 0 4 17 14.09 14.38 0.58 o 1 4 17 86.91 92.65 3.30 o 2 0 18 0.45 1.22 0.20 o 0 1 18 49.48 48.63 1.20 o 1 1 18 18.44 21.55 0.48 o 2 1 18 13.01 13.31 0.67 o 3 1 18 30.41 31.72 0.56 o 0 2 18 19.36 19.44 0.70 o 1 2 18 0.21 0.23 0.13 o 2 2 18 0.98 1.08 0.14 o 3 2 18 9.37 10.73 0.21 o -2 3 18 21.66 16.71 0.52 o 0 3 18 8.87 10.82 0.38 o 1 3 18 7.31 8.25 0.24 o 2 3 18 3.71 4.08 0.18 o 1 0 19 0.23 0.21 0.33 o 3 0 19 2.00 1.17 0.18 o 1 1 19 25.90 27.40 0.59 o 2 1 19 63.17 62.22 1.72 o 3 1 19 0.03 0.77 0.10 o 0 2 19 9.76 9.26 0.39 o 1 2 19 11.29 14.99 0.74 o 2 2 19 0.23 0.64 0.11 o -1 3 19 23.12 23.37 0.62 o 0 3 19 0.52 0.78 0.18 o 1 3 19 1.60 1.59 0.18 o 2 0 20 5.47 5.51 0.33 o 1 1 20 5.73 5.83 0.43 o 2 1 20 9.86 10.69 0.85 o 1 2 20 4.70 3.68 0.27 o 2 2 20 1.69 2.05 0.27 o 1 1 21 0.00 -0.03 0.20 o 0 2 21 9.29 9.61 0.43 o