#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2013213.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_2013213_Fobs loop_ _publ_author_name 'Glidewell, Christopher' 'Low, John N.' 'Skakle, Janet M. S.' 'Wardell, James L.' _publ_section_title ; (4-Nitrophenylsulfinyl)acetic acid, a three-dimensional hydrogen-bonded framework built from a combination of two-centre O---H···O and C---H···O hydrogen bonds and a three-centre C---H···(O)~2~ hydrogen bond ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o124 _journal_page_last o126 _journal_volume 59 _journal_year 2003 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 93.088 _cell_angle_gamma 90.000 _cell_length_a 13.7110 _cell_length_b 7.3037 _cell_length_c 9.3537 _exptl_crystal_F_000 472.00 _reflns_d_resolution_high 0.7704 _[local]_cod_data_source_file sk1614Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 02src460 - JLW123 P21/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 197.98 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -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 3 0 0 174.34 147.07 6.75 o 4 0 0 320.12 356.14 13.46 o 5 0 0 2046.93 1817.88 63.88 o 6 0 0 653.43 705.64 20.34 o 7 0 0 2473.30 2417.48 70.98 o 8 0 0 2055.83 1966.34 57.50 o 9 0 0 762.56 803.09 30.08 o 10 0 0 493.48 452.21 42.46 o 11 0 0 192.91 199.21 14.88 o 12 0 0 77.78 53.42 9.78 o 13 0 0 828.53 868.78 50.07 o 14 0 0 5.33 29.20 19.46 o 15 0 0 72.49 87.78 19.56 o 16 0 0 68.05 97.80 29.29 o 17 0 0 430.05 470.18 49.04 o 1 1 0 52.32 81.77 9.06 o 2 1 0 8175.85 7634.61 136.20 o 3 1 0 224.25 257.03 4.06 o 4 1 0 1092.76 1178.42 22.46 o 5 1 0 150.30 128.53 4.50 o 6 1 0 1327.47 1259.92 25.67 o 7 1 0 455.00 424.30 9.37 o 8 1 0 404.93 408.88 11.31 o 9 1 0 831.83 810.24 20.22 o 10 1 0 501.79 534.64 17.65 o 11 1 0 510.95 489.23 17.70 o 12 1 0 363.55 382.26 26.69 o 13 1 0 1.61 -2.43 7.95 o 14 1 0 95.56 83.00 13.76 o 15 1 0 295.72 292.92 20.71 o 16 1 0 167.13 171.16 20.75 o 17 1 0 165.85 188.29 49.18 o 0 2 0 256.47 254.66 12.33 o 1 2 0 1075.88 1034.26 18.24 o 2 2 0 147.83 132.39 4.66 o 4 2 0 1098.74 1185.53 19.94 o 5 2 0 205.30 207.98 6.72 o 6 2 0 115.07 102.10 3.89 o 7 2 0 1441.64 1523.41 30.17 o 8 2 0 239.85 260.69 13.76 o 9 2 0 35.15 29.56 4.81 o 10 2 0 36.79 24.10 4.82 o 11 2 0 21.29 8.27 5.35 o 12 2 0 465.48 447.99 17.72 o 13 2 0 15.52 3.22 9.68 o 14 2 0 19.63 25.90 9.83 o 15 2 0 60.33 50.65 16.23 o 16 2 0 33.82 39.07 13.80 o 17 2 0 80.77 73.35 20.78 o 1 3 0 2805.25 2948.07 63.15 o 2 3 0 572.70 562.32 15.85 o 3 3 0 28.02 51.20 4.71 o 4 3 0 54.47 52.00 3.59 o 5 3 0 0.00 3.81 4.26 o 6 3 0 1194.30 1182.16 24.07 o 7 3 0 366.66 396.71 11.64 o 8 3 0 5.85 3.83 4.28 o 9 3 0 108.98 97.19 5.81 o 10 3 0 92.91 94.82 5.81 o 11 3 0 66.69 61.77 6.63 o 12 3 0 23.39 29.64 9.88 o 13 3 0 0.01 -3.22 9.68 o 14 3 0 181.77 165.84 20.61 o 15 3 0 25.68 13.58 16.17 o 16 3 0 11.62 19.49 13.80 o 0 4 0 1077.30 927.31 37.48 o 1 4 0 76.05 85.90 4.42 o 2 4 0 82.79 108.52 4.53 o 3 4 0 1138.85 1308.77 33.15 o 4 4 0 84.65 73.78 3.90 o 5 4 0 237.99 249.94 7.82 o 6 4 0 6.90 9.56 4.27 o 7 4 0 353.56 346.35 11.33 o 8 4 0 690.62 729.37 19.46 o 9 4 0 263.94 260.88 10.87 o 10 4 0 500.90 500.86 17.14 o 11 4 0 132.82 130.94 9.65 o 12 4 0 107.05 97.65 13.66 o 13 4 0 32.48 32.19 8.64 o 14 4 0 74.09 54.45 14.88 o 15 4 0 0.14 1.93 16.12 o 16 4 0 3.18 34.08 20.64 o 1 5 0 217.66 221.23 7.43 o 2 5 0 344.02 337.36 8.68 o 3 5 0 498.60 509.00 12.70 o 4 5 0 199.90 192.29 11.45 o 5 5 0 1.75 6.36 5.51 o 6 5 0 819.87 863.67 25.87 o 7 5 0 365.87 362.42 9.30 o 8 5 0 483.72 475.25 15.52 o 9 5 0 3.52 4.28 4.67 o 10 5 0 21.95 19.26 4.81 o 11 5 0 958.55 990.43 66.95 o 12 5 0 151.54 145.18 20.44 o 13 5 0 471.54 460.13 34.20 o 14 5 0 11.69 9.73 29.20 o 15 5 0 24.13 9.73 29.20 o 0 6 0 420.89 429.54 17.58 o 1 6 0 191.76 185.11 4.99 o 2 6 0 317.52 314.09 10.50 o 3 6 0 293.64 278.15 8.69 o 4 6 0 1200.63 1203.93 28.18 o 5 6 0 219.59 189.62 5.54 o 6 6 0 44.43 52.70 6.46 o 7 6 0 298.82 269.33 9.86 o 8 6 0 17.53 10.32 4.74 o 9 6 0 198.38 203.07 11.32 o 10 6 0 326.29 324.89 21.26 o 11 6 0 14.21 15.43 14.53 o 12 6 0 85.92 96.75 29.00 o 13 6 0 97.16 77.38 29.00 o 1 7 0 159.30 162.37 5.55 o 2 7 0 23.75 25.27 6.02 o 3 7 0 141.16 110.09 4.54 o 4 7 0 483.37 451.11 14.30 o 5 7 0 66.12 58.44 4.51 o 6 7 0 203.17 175.88 8.03 o 7 7 0 7.53 13.40 6.38 o 8 7 0 68.61 69.78 11.06 o 9 7 0 114.71 98.05 8.15 o 10 7 0 103.05 137.84 18.46 o 11 7 0 27.40 48.47 29.10 o 0 8 0 517.97 526.03 30.46 o 1 8 0 9.30 0.00 13.39 o 2 8 0 25.60 38.51 7.88 o 3 8 0 27.58 28.61 6.05 o 4 8 0 0.33 11.22 11.00 o 5 8 0 2.39 -0.01 6.06 o 6 8 0 20.56 21.68 9.13 o 7 8 0 3.87 11.59 16.09 o 8 8 0 45.40 43.55 13.69 o 9 8 0 45.52 73.14 13.73 o 1 9 0 93.24 112.42 22.94 o 2 9 0 4.26 -4.81 13.53 o 3 9 0 32.34 67.02 20.31 o 4 9 0 36.31 28.53 28.53 o 5 9 0 3.30 -14.20 28.62 o -17 1 1 105.06 106.85 23.31 o -16 1 1 0.53 9.68 13.73 o -15 1 1 498.81 519.89 59.15 o -14 1 1 299.98 272.01 20.54 o -13 1 1 26.25 7.71 7.29 o -12 1 1 104.45 103.77 10.39 o -11 1 1 305.44 327.21 11.58 o -10 1 1 6.14 9.61 4.81 o -9 1 1 225.62 246.41 9.38 o -8 1 1 309.11 350.10 9.10 o -7 1 1 426.87 422.76 9.80 o -6 1 1 4.01 3.22 6.08 o -5 1 1 283.23 332.13 18.82 o -4 1 1 5344.40 5155.66 106.62 o -2 1 1 1266.88 1186.42 23.74 o -1 1 1 5692.39 4404.66 603.40 o 1 1 1 4320.34 4019.23 198.25 o 2 1 1 2693.80 2678.46 51.35 o 3 1 1 2440.22 2443.99 47.34 o 4 1 1 4692.71 4743.19 150.13 o 5 1 1 633.55 635.54 18.76 o 6 1 1 0.49 0.00 6.81 o 7 1 1 427.35 413.04 14.72 o 8 1 1 1170.98 1190.73 29.20 o 9 1 1 1035.93 1044.85 29.94 o 10 1 1 0.51 -2.41 4.82 o 11 1 1 49.21 54.81 6.95 o 12 1 1 449.19 423.04 18.49 o 13 1 1 0.37 -4.17 5.40 o 14 1 1 61.80 55.26 11.27 o 15 1 1 9.78 -8.00 8.00 o 16 1 1 90.77 79.49 20.85 o 17 1 1 255.43 247.39 27.80 o -17 2 1 97.18 129.21 30.31 o -16 2 1 47.55 56.30 16.16 o -15 2 1 110.89 121.27 13.69 o -14 2 1 30.29 29.00 13.69 o -13 2 1 163.14 169.05 20.47 o -12 2 1 212.08 210.21 10.56 o -11 2 1 204.08 206.82 6.78 o -10 2 1 758.07 755.79 22.11 o -9 2 1 1698.35 1812.60 40.06 o -8 2 1 67.70 60.59 3.88 o -7 2 1 1021.17 1125.74 33.57 o -6 2 1 458.70 531.50 15.21 o -5 2 1 1990.60 1993.10 40.71 o -4 2 1 3841.18 4335.32 109.86 o -3 2 1 2440.90 2383.40 47.37 o -2 2 1 9888.24 9097.32 181.68 o -1 2 1 234.91 188.37 4.84 o 0 2 1 67.82 62.53 6.78 o 1 2 1 821.99 729.64 38.08 o 2 2 1 5936.41 5686.53 101.96 o 3 2 1 596.26 625.88 11.82 o 4 2 1 5.80 0.00 9.83 o 5 2 1 3403.56 3464.83 77.42 o 6 2 1 3.53 0.00 4.81 o 7 2 1 46.35 54.15 4.29 o 8 2 1 2140.50 2313.23 57.79 o 9 2 1 106.48 88.30 5.66 o 10 2 1 2579.06 2702.26 74.49 o 11 2 1 126.70 109.31 11.89 o 12 2 1 254.46 247.37 14.56 o 13 2 1 62.13 53.89 6.88 o 14 2 1 5.31 -4.88 13.80 o 15 2 1 244.57 232.44 24.81 o 16 2 1 101.30 78.33 19.51 o 17 2 1 51.95 0.00 24.52 o -16 3 1 8.30 1.93 16.12 o -15 3 1 73.46 57.95 24.76 o -14 3 1 145.51 135.33 13.66 o -13 3 1 245.97 291.28 21.30 o -12 3 1 4.07 4.11 5.33 o -11 3 1 793.43 857.89 26.98 o -10 3 1 231.42 208.52 12.33 o -9 3 1 8.47 15.87 4.26 o -8 3 1 970.26 941.93 21.58 o -7 3 1 0.01 0.00 4.26 o -6 3 1 81.59 71.08 5.23 o -5 3 1 1185.87 1153.74 21.88 o -4 3 1 2296.07 2383.13 54.45 o -3 3 1 2302.36 2145.31 37.86 o -2 3 1 37.59 45.87 4.25 o -1 3 1 1689.40 1586.08 30.98 o 0 3 1 678.94 723.65 15.12 o 1 3 1 627.22 500.07 14.17 o 2 3 1 1853.02 1725.16 38.13 o 3 3 1 613.50 759.78 18.43 o 4 3 1 285.01 254.38 8.04 o 5 3 1 22.29 39.86 4.26 o 6 3 1 1292.85 1331.52 25.74 o 7 3 1 16.55 17.28 4.93 o 8 3 1 2040.30 2156.53 55.16 o 9 3 1 930.21 904.25 28.35 o 10 3 1 167.57 166.74 20.00 o 11 3 1 30.31 37.50 5.36 o 12 3 1 23.32 16.91 8.50 o 13 3 1 236.91 225.19 20.61 o 14 3 1 141.35 128.51 16.21 o 15 3 1 28.70 29.29 13.80 o 16 3 1 245.96 261.49 23.47 o -16 4 1 1.56 0.03 20.54 o -15 4 1 187.53 203.15 20.54 o -14 4 1 188.69 193.51 20.51 o -13 4 1 44.28 48.81 11.84 o -12 4 1 113.45 126.16 15.87 o -11 4 1 87.15 89.35 9.01 o -10 4 1 518.78 522.26 18.74 o -9 4 1 1850.21 1873.95 75.84 o -8 4 1 672.68 760.63 21.02 o -7 4 1 108.34 106.71 3.90 o -6 4 1 580.52 539.19 13.21 o -5 4 1 0.55 4.76 4.75 o -4 4 1 41.26 22.21 3.87 o -3 4 1 586.50 694.30 16.00 o -2 4 1 844.78 712.98 17.09 o -1 4 1 78.99 85.46 3.57 o 0 4 1 217.84 300.27 15.68 o 1 4 1 2459.17 2640.71 69.15 o 2 4 1 414.21 404.21 21.78 o 3 4 1 663.10 793.90 32.68 o 4 4 1 99.30 127.69 3.89 o 5 4 1 24.05 13.36 4.26 o 6 4 1 4.58 4.81 4.80 o 7 4 1 275.95 269.65 7.86 o 8 4 1 112.81 111.49 6.25 o 9 4 1 15.06 12.88 4.68 o 10 4 1 7.37 9.64 4.82 o 11 4 1 186.10 171.61 18.88 o 12 4 1 766.74 843.63 51.09 o 13 4 1 6.97 9.67 8.64 o 14 4 1 176.76 172.51 23.33 o 15 4 1 28.36 27.31 33.97 o -15 5 1 2.55 29.29 29.29 o -14 5 1 53.24 55.81 15.97 o -13 5 1 194.15 201.99 16.65 o -12 5 1 35.35 26.45 7.89 o -11 5 1 90.63 94.17 11.05 o -10 5 1 205.09 211.88 9.62 o -9 5 1 252.90 211.22 10.39 o -8 5 1 3.83 4.78 3.90 o -7 5 1 28.80 36.18 5.33 o -6 5 1 24.16 22.96 4.27 o -5 5 1 238.05 194.76 7.78 o -4 5 1 320.90 313.02 8.25 o -3 5 1 442.58 405.95 11.77 o -2 5 1 44.87 42.29 4.25 o -1 5 1 3.33 2.34 4.67 o 0 5 1 0.07 0.00 4.69 o 1 5 1 314.82 294.85 14.05 o 2 5 1 571.34 558.88 14.64 o 3 5 1 120.88 142.34 5.82 o 4 5 1 133.10 137.82 5.51 o 5 5 1 127.55 109.65 4.51 o 6 5 1 376.55 348.74 9.87 o 7 5 1 423.36 422.79 11.10 o 8 5 1 34.88 20.20 4.53 o 9 5 1 2.48 3.85 4.31 o 10 5 1 81.05 81.29 6.40 o 11 5 1 147.95 143.62 12.32 o 12 5 1 303.15 294.41 27.32 o 13 5 1 34.86 19.30 8.63 o 14 5 1 151.55 164.96 29.10 o -13 6 1 48.62 58.20 19.37 o -12 6 1 308.72 294.63 23.09 o -11 6 1 0.01 9.58 6.37 o -10 6 1 1.69 0.00 6.42 o -9 6 1 22.29 15.38 7.80 o -8 6 1 35.28 28.41 4.66 o -7 6 1 19.38 21.07 4.28 o -6 6 1 0.02 2.13 4.65 o -5 6 1 140.17 123.56 6.39 o -4 6 1 1374.37 1546.63 51.48 o -3 6 1 2.08 -4.21 4.60 o -2 6 1 115.96 122.32 4.64 o -1 6 1 36.72 47.58 5.26 o 0 6 1 70.99 67.87 6.73 o 1 6 1 459.36 460.96 20.14 o 2 6 1 157.48 151.66 9.42 o 3 6 1 0.02 -4.77 4.77 o 4 6 1 27.70 19.13 4.77 o 5 6 1 144.41 153.43 6.79 o 6 6 1 5.40 4.27 4.66 o 7 6 1 539.38 568.41 17.33 o 8 6 1 229.37 244.08 16.24 o 9 6 1 2.55 -6.05 6.05 o 10 6 1 7.66 7.69 6.40 o 11 6 1 10.15 -0.02 13.66 o 12 6 1 0.58 0.00 19.27 o 13 6 1 2.14 19.27 28.91 o -11 7 1 400.90 445.42 34.24 o -10 7 1 50.56 54.25 16.17 o -9 7 1 77.36 86.91 15.74 o -8 7 1 437.40 409.53 28.92 o -7 7 1 13.28 26.46 4.65 o -6 7 1 87.97 84.22 6.73 o -5 7 1 226.39 221.12 11.28 o -4 7 1 17.50 27.27 8.24 o -3 7 1 175.28 160.55 5.84 o -2 7 1 120.33 107.81 6.75 o -1 7 1 494.89 514.26 20.20 o 0 7 1 162.34 152.98 8.47 o 1 7 1 11.59 12.82 6.11 o 2 7 1 88.09 81.37 7.88 o 3 7 1 0.04 0.00 4.78 o 4 7 1 35.22 28.35 6.08 o 5 7 1 0.95 0.00 6.23 o 6 7 1 401.82 389.11 29.02 o 7 7 1 31.69 36.07 5.63 o 8 7 1 43.16 28.69 7.78 o 9 7 1 11.76 4.79 6.78 o 10 7 1 0.39 19.37 19.37 o 11 7 1 161.45 212.76 38.74 o -9 8 1 211.14 238.65 26.86 o -8 8 1 48.44 34.11 9.30 o -7 8 1 208.19 185.38 16.17 o -6 8 1 65.73 78.00 11.14 o -5 8 1 416.17 377.57 26.00 o -4 8 1 1.30 3.87 6.46 o -3 8 1 5.19 0.00 9.45 o -2 8 1 246.99 260.20 13.22 o -1 8 1 3.09 7.81 6.53 o 0 8 1 504.24 528.72 19.86 o 1 8 1 342.27 323.24 22.82 o 2 8 1 60.91 47.53 9.54 o 3 8 1 97.18 104.47 15.16 o 4 8 1 54.38 49.86 7.87 o 5 8 1 153.40 173.55 19.37 o 6 8 1 10.63 9.70 8.70 o 7 8 1 46.76 24.25 13.73 o 8 8 1 484.30 496.37 59.97 o 9 8 1 50.39 48.85 19.56 o -5 9 1 5.49 -28.62 28.62 o -4 9 1 345.54 352.44 57.25 o -3 9 1 3.22 -28.62 28.62 o -2 9 1 117.29 143.21 38.16 o -1 9 1 103.34 86.16 38.26 o 0 9 1 1.62 0.00 19.18 o 1 9 1 72.96 115.64 28.91 o 2 9 1 72.87 83.58 18.99 o 3 9 1 8.89 19.30 29.05 o 4 9 1 22.99 2.38 33.82 o 5 9 1 9.65 38.07 19.08 o -17 0 2 7.32 19.27 19.27 o -16 0 2 678.89 635.05 67.45 o -15 0 2 23.03 0.00 28.81 o -14 0 2 301.20 278.21 28.81 o -13 0 2 357.69 352.60 53.24 o -12 0 2 857.34 890.93 32.40 o -11 0 2 623.62 556.89 29.98 o -10 0 2 72.16 69.35 8.61 o -9 0 2 165.73 179.20 14.41 o -8 0 2 128.18 147.30 19.27 o -7 0 2 806.02 684.63 23.34 o -6 0 2 850.94 952.87 38.88 o -5 0 2 246.05 184.71 8.70 o -4 0 2 92.80 117.31 9.73 o -3 0 2 42.31 38.64 9.64 o -2 0 2 2877.36 2618.38 75.83 o -1 0 2 609.15 580.81 14.00 o 0 0 2 24.18 58.87 9.83 o 1 0 2 5427.66 5295.49 155.53 o 2 0 2 2144.87 2085.31 58.99 o 3 0 2 39195.13 39314.79 1036.74 o 4 0 2 20992.54 22353.53 702.03 o 5 0 2 2236.18 2439.44 72.53 o 6 0 2 8.85 4.84 6.85 o 7 0 2 1632.75 1745.49 67.15 o 8 0 2 1828.89 1752.96 57.61 o 9 0 2 185.43 182.52 13.59 o 10 0 2 655.72 592.91 27.29 o 11 0 2 243.52 189.25 13.93 o 12 0 2 5.12 28.18 19.42 o 13 0 2 270.84 323.45 43.32 o 14 0 2 217.26 215.10 34.01 o 15 0 2 244.89 224.79 39.12 o 16 0 2 268.84 303.98 39.21 o 17 0 2 102.94 167.16 39.31 o -17 1 2 70.85 93.08 20.48 o -16 1 2 20.43 19.22 15.98 o -15 1 2 89.68 67.29 16.02 o -14 1 2 57.70 72.30 13.59 o -13 1 2 1194.38 1243.72 33.13 o -12 1 2 423.57 420.16 14.96 o -11 1 2 149.04 147.23 14.79 o -10 1 2 93.09 86.58 6.76 o -9 1 2 214.81 197.72 9.64 o -8 1 2 32.08 16.84 4.82 o -7 1 2 296.86 373.14 9.79 o -6 1 2 3001.89 3114.52 63.53 o -5 1 2 514.00 561.78 12.78 o -4 1 2 2.81 9.73 9.73 o -3 1 2 13.03 29.00 9.64 o -2 1 2 7046.20 6605.19 128.55 o -1 1 2 6638.96 6415.03 121.49 o 0 1 2 4538.69 4186.37 83.37 o 1 1 2 1099.44 1161.40 25.48 o 2 1 2 3111.99 3129.61 65.88 o 3 1 2 47.04 39.44 5.67 o 4 1 2 0.78 9.83 9.83 o 5 1 2 9.05 19.53 5.64 o 6 1 2 3417.28 3838.67 85.39 o 7 1 2 2917.84 3022.18 65.35 o 8 1 2 72.98 78.70 6.18 o 9 1 2 270.76 238.16 10.37 o 10 1 2 71.91 67.64 7.04 o 11 1 2 554.48 567.74 21.33 o 12 1 2 188.17 172.38 11.38 o 13 1 2 300.62 283.30 16.50 o 14 1 2 203.60 177.78 16.87 o 15 1 2 3.68 -2.47 14.37 o 16 1 2 114.20 136.88 24.52 o 17 1 2 164.22 192.72 27.80 o -17 2 2 167.78 186.53 30.15 o -16 2 2 54.98 48.12 24.42 o -15 2 2 92.24 93.63 13.98 o -14 2 2 5.42 6.38 8.55 o -13 2 2 539.94 573.68 24.86 o -12 2 2 5.34 1.90 4.49 o -11 2 2 151.08 151.39 10.15 o -10 2 2 0.54 9.56 4.77 o -9 2 2 1016.55 1064.28 26.05 o -8 2 2 6.61 4.78 4.81 o -7 2 2 2.84 0.00 4.31 o -6 2 2 1.92 3.23 5.60 o -5 2 2 127.53 109.06 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