#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/91/2229160.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_2229160_Fobs loop_ _publ_author_name 'bin Shawkataly, Omar' 'Khan, Imthyaz Ahmed' 'Sirat, Siti Syaida' 'Yeap, Chin Sing' 'Fun, Hoong-Kun' _publ_section_title ; Tris(biphenyl-4-yl)arsane ; _journal_coeditor_code NG5092 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o457 _journal_page_last o458 _journal_volume 67 _journal_year 2011 _space_group_IT_number 7 _symmetry_space_group_name_Hall 'P -2yc' _symmetry_space_group_name_H-M 'P 1 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 114.762 _cell_angle_gamma 90.000 _cell_length_a 17.3718 _cell_length_b 5.9561 _cell_length_c 27.7270 _exptl_crystal_F_000 1104.00 _reflns_d_resolution_high 0.7697 _[local]_cod_data_source_file ng5092Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' iakdpas3m in Pc (100K)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 356.21 _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, 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 6 1 -35 192.10 128.75 143.87 o 7 1 -35 107.71 24.63 142.70 o 8 1 -35 216.17 162.75 144.37 o 9 1 -35 7.90 -105.63 130.38 o 10 1 -35 635.51 351.93 147.06 o 11 1 -35 435.55 378.42 152.49 o 12 1 -35 808.71 625.89 160.85 o 13 1 -35 16.93 46.59 147.64 o 10 0 -34 658.05 422.31 131.63 o 11 0 -34 69.66 -135.01 123.65 o 12 0 -34 286.03 85.10 132.87 o 13 0 -34 1123.21 966.91 160.34 o 14 0 -34 120.72 236.59 147.08 o 15 0 -34 47.78 -178.48 141.01 o 3 1 -34 743.13 962.36 161.66 o 4 1 -34 32.28 -27.95 132.15 o 5 1 -34 272.48 205.87 141.27 o 6 1 -34 1001.87 1037.77 163.21 o 7 1 -34 819.55 672.71 156.90 o 8 1 -34 60.71 -103.44 133.40 o 9 1 -34 124.10 71.19 138.06 o 10 1 -34 391.37 296.45 139.82 o 11 1 -34 184.57 240.27 142.62 o 12 1 -34 455.29 443.32 151.08 o 13 1 -34 38.19 68.94 143.27 o 14 1 -34 453.62 197.18 157.70 o 15 1 -34 904.18 891.53 177.80 o 5 2 -34 91.16 13.32 142.17 o 6 2 -34 78.40 46.76 140.20 o 7 2 -34 173.49 124.68 141.16 o 8 2 -34 27.67 93.40 139.50 o 9 2 -34 69.82 85.72 139.76 o 10 2 -34 10.55 -13.82 142.23 o 11 2 -34 45.34 -24.51 140.74 o 12 2 -34 293.01 450.27 160.49 o 13 2 -34 31.57 -22.24 155.18 o 1 1 -33 709.68 462.24 148.96 o 2 1 -33 702.53 878.50 157.51 o 3 1 -33 52.46 -18.35 126.72 o 4 1 -33 207.67 72.14 130.43 o 5 1 -33 358.08 344.70 138.11 o 6 1 -33 496.00 365.73 138.05 o 7 1 -33 16.54 -33.30 121.36 o 8 1 -33 110.08 -0.05 128.19 o 9 1 -33 163.10 -48.95 130.22 o 10 1 -33 900.03 930.60 156.82 o 11 1 -33 559.37 381.87 140.08 o 12 1 -33 133.80 60.30 136.37 o 13 1 -33 718.33 702.96 160.30 o 14 1 -33 507.54 370.05 156.39 o 15 1 -33 252.18 -39.08 148.63 o 16 1 -33 118.57 305.29 163.75 o 3 2 -33 447.05 357.20 148.69 o 4 2 -33 1003.78 892.09 166.75 o 5 2 -33 261.57 231.06 142.31 o 6 2 -33 275.33 160.71 135.20 o 7 2 -33 1423.64 1280.88 175.37 o 8 2 -33 1814.39 1591.00 186.47 o 9 2 -33 295.15 280.68 141.26 o 10 2 -33 7.56 9.36 135.00 o 11 2 -33 624.25 448.68 150.27 o 12 2 -33 1773.59 1601.52 188.66 o 13 2 -33 973.67 727.65 170.69 o 14 2 -33 75.12 -41.27 145.18 o 7 3 -33 179.06 79.54 144.84 o 8 3 -33 81.14 14.71 144.64 o 9 3 -33 673.57 661.68 170.14 o 10 3 -33 1455.95 1691.82 204.90 o 6 0 -32 1167.95 1019.89 134.34 o 7 0 -32 2150.43 2309.66 170.88 o 8 0 -32 829.46 562.64 128.70 o 9 0 -32 514.93 360.93 122.57 o 10 0 -32 731.15 474.18 129.62 o 11 0 -32 2438.98 2210.30 176.31 o 12 0 -32 395.14 210.99 126.97 o 13 0 -32 182.70 129.58 128.28 o 14 0 -32 407.30 262.35 139.67 o 15 0 -32 995.72 761.89 164.06 o 16 0 -32 934.84 687.26 287.63 o 17 0 -32 437.70 -54.51 248.99 o 0 1 -32 670.56 708.86 149.68 o 1 1 -32 1324.30 1527.59 172.51 o 2 1 -32 351.72 282.33 134.62 o 3 1 -32 379.59 338.88 134.46 o 4 1 -32 568.29 719.08 145.04 o 5 1 -32 1070.12 1066.57 153.77 o 6 1 -32 323.20 298.17 128.50 o 7 1 -32 32.38 -100.91 118.59 o 8 1 -32 805.48 578.61 139.35 o 9 1 -32 950.61 761.03 152.09 o 10 1 -32 106.75 -50.19 122.47 o 11 1 -32 97.64 186.48 126.75 o 12 1 -32 387.15 296.41 138.56 o 13 1 -32 776.39 602.85 151.32 o 14 1 -32 365.78 210.01 148.08 o 15 1 -32 384.22 173.97 154.59 o 16 1 -32 29.54 148.24 156.39 o 17 1 -32 439.64 103.83 162.53 o 1 2 -32 290.63 207.39 141.47 o 2 2 -32 84.53 146.35 132.44 o 3 2 -32 587.65 560.13 146.16 o 4 2 -32 95.65 21.17 123.56 o 5 2 -32 42.42 40.70 125.50 o 6 2 -32 26.20 -96.13 121.17 o 7 2 -32 137.00 82.01 125.89 o 8 2 -32 1.10 28.00 124.44 o 9 2 -32 62.50 -140.00 117.31 o 10 2 -32 16.63 -16.91 128.72 o 11 2 -32 5.89 -185.02 129.64 o 12 2 -32 56.27 -59.72 132.70 o 13 2 -32 16.84 254.39 151.78 o 14 2 -32 228.96 104.50 151.30 o 15 2 -32 155.31 -33.10 142.32 o 16 2 -32 73.92 -91.37 152.20 o 4 3 -32 141.97 77.10 141.29 o 5 3 -32 92.13 51.41 141.83 o 6 3 -32 103.04 44.08 141.42 o 7 3 -32 50.20 -88.29 137.39 o 8 3 -32 91.64 -202.78 130.70 o 9 3 -32 234.24 166.55 147.32 o 10 3 -32 22.78 -75.72 140.98 o 11 3 -32 2.13 -203.29 141.15 o 12 3 -32 59.15 139.29 152.54 o 13 3 -32 400.89 390.81 166.53 o -1 1 -31 176.67 159.45 131.86 o 0 1 -31 916.95 827.53 152.71 o 1 1 -31 311.21 141.59 128.27 o 2 1 -31 150.01 334.68 130.24 o 3 1 -31 453.20 401.37 128.71 o 4 1 -31 231.22 228.96 123.28 o 5 1 -31 455.29 420.30 130.17 o 6 1 -31 84.82 -9.49 114.29 o 7 1 -31 123.62 168.85 120.38 o 8 1 -31 57.08 -42.90 113.20 o 9 1 -31 444.69 365.77 130.03 o 10 1 -31 404.64 533.00 138.76 o 11 1 -31 279.36 138.94 126.06 o 12 1 -31 1025.52 900.25 151.02 o 13 1 -31 581.59 688.45 149.46 o 14 1 -31 61.14 128.97 137.55 o 15 1 -31 259.75 409.73 158.34 o 16 1 -31 11.82 -131.78 146.68 o 17 1 -31 265.01 96.94 306.03 o 18 1 -31 230.29 -104.17 266.52 o 0 2 -31 141.40 83.35 131.49 o 1 2 -31 592.23 463.03 146.93 o 2 2 -31 450.98 395.05 140.01 o 3 2 -31 845.76 569.19 140.33 o 4 2 -31 42.98 -38.36 113.93 o 5 2 -31 380.72 245.06 121.51 o 6 2 -31 1326.68 1392.56 166.34 o 7 2 -31 1079.76 1229.19 159.20 o 8 2 -31 145.19 213.82 129.40 o 9 2 -31 131.15 229.08 130.17 o 10 2 -31 1049.37 1076.10 159.81 o 11 2 -31 2414.35 2702.09 230.99 o 12 2 -31 844.26 727.25 152.86 o 13 2 -31 122.23 -70.73 133.61 o 14 2 -31 699.60 524.35 163.73 o 15 2 -31 467.10 318.38 151.28 o 16 2 -31 464.59 257.39 159.62 o 17 2 -31 36.07 -170.24 154.68 o 2 3 -31 49.97 178.12 138.20 o 3 3 -31 416.17 413.20 145.46 o 4 3 -31 810.70 945.44 164.14 o 5 3 -31 447.01 528.58 153.44 o 6 3 -31 7.74 75.14 138.18 o 7 3 -31 81.62 -103.50 130.04 o 8 3 -31 856.16 574.16 158.89 o 9 3 -31 952.47 1140.50 171.68 o 10 3 -31 521.22 476.12 154.67 o 11 3 -31 172.18 4.51 141.48 o 12 3 -31 777.37 517.82 161.55 o 13 3 -31 219.48 217.26 156.49 o 14 3 -31 187.84 137.07 159.60 o 3 0 -30 366.99 347.36 109.21 o 4 0 -30 108.96 -24.69 101.48 o 5 0 -30 777.18 806.14 124.69 o 6 0 -30 1659.25 1463.30 143.44 o 7 0 -30 1837.24 1626.69 150.89 o 8 0 -30 36.90 75.52 109.51 o 9 0 -30 1349.65 1146.66 143.53 o 10 0 -30 2799.59 2905.75 223.96 o 11 0 -30 1049.47 813.64 136.32 o 12 0 -30 507.25 247.62 123.45 o 13 0 -30 163.03 169.05 124.78 o 14 0 -30 1156.76 1023.96 153.79 o 15 0 -30 1243.55 1054.08 301.86 o 16 0 -30 54.77 -106.07 126.86 o 17 0 -30 43.69 -351.58 264.13 o 18 0 -30 1114.83 936.67 160.30 o 19 0 -30 1680.62 1289.27 164.22 o -3 1 -30 92.50 0.08 128.23 o -2 1 -30 546.16 403.40 141.32 o -1 1 -30 312.62 422.26 133.92 o 0 1 -30 1209.05 1304.04 158.88 o 1 1 -30 74.23 194.42 119.96 o 2 1 -30 108.10 166.23 117.80 o 3 1 -30 2355.77 2381.81 185.23 o 4 1 -30 1980.85 1898.75 171.90 o 5 1 -30 186.43 171.62 115.95 o 6 1 -30 51.03 27.82 112.67 o 7 1 -30 672.08 688.02 133.33 o 8 1 -30 834.80 656.72 134.02 o 9 1 -30 978.84 1001.11 143.96 o 10 1 -30 21.34 -11.43 119.17 o 11 1 -30 527.65 438.43 135.25 o 12 1 -30 1058.42 793.23 144.47 o 13 1 -30 65.58 -127.02 120.42 o 14 1 -30 45.61 -41.24 127.40 o 15 1 -30 26.00 50.26 141.62 o 16 1 -30 665.88 331.30 132.13 o 17 1 -30 1011.10 862.33 377.39 o 18 1 -30 244.83 56.16 171.57 o -2 2 -30 16.16 -106.65 122.37 o -1 2 -30 48.67 -63.47 119.23 o 0 2 -30 131.03 -11.41 123.85 o 1 2 -30 187.02 71.60 121.05 o 2 2 -30 202.92 208.84 123.46 o 3 2 -30 16.56 50.81 111.84 o 4 2 -30 58.26 6.75 109.58 o 5 2 -30 9.76 -27.06 110.53 o 6 2 -30 32.54 63.34 110.29 o 7 2 -30 26.81 -79.70 112.05 o 8 2 -30 24.29 145.62 122.92 o 9 2 -30 84.91 212.64 124.62 o 10 2 -30 89.79 126.36 123.04 o 11 2 -30 33.34 -42.17 122.12 o 12 2 -30 28.07 111.25 128.91 o 13 2 -30 189.40 57.36 133.08 o 14 2 -30 246.35 214.27 147.11 o 15 2 -30 271.19 293.03 148.08 o 16 2 -30 86.44 -63.50 146.71 o 17 2 -30 194.12 165.22 161.20 o 0 3 -30 642.16 617.72 155.19 o 1 3 -30 175.53 50.12 132.48 o 2 3 -30 275.08 198.47 138.14 o 3 3 -30 349.02 315.19 139.90 o 4 3 -30 435.84 239.83 137.91 o 5 3 -30 58.63 227.62 130.88 o 6 3 -30 10.44 -89.96 121.90 o 7 3 -30 206.49 70.59 129.87 o 8 3 -30 384.34 9.99 131.47 o 9 3 -30 40.90 30.23 126.52 o 10 3 -30 88.06 -116.74 126.85 o 11 3 -30 62.93 -41.38 138.51 o 12 3 -30 341.08 114.29 146.53 o 13 3 -30 151.77 17.56 145.91 o 14 3 -30 173.33 -128.97 148.86 o 15 3 -30 221.65 48.55 156.05 o 4 4 -30 91.53 -50.41 140.01 o 5 4 -30 584.13 373.71 155.44 o 6 4 -30 913.35 1041.37 127.37 o 7 4 -30 338.24 657.09 190.01 o 8 4 -30 6.34 -43.58 89.43 o 9 4 -30 372.85 300.43 101.51 o 10 4 -30 466.03 348.30 102.75 o 11 4 -30 255.14 257.34 104.75 o -4 1 -29 102.10 285.66 134.37 o -3 1 -29 208.51 81.13 126.39 o -2 1 -29 522.10 553.79 136.64 o -1 1 -29 479.03 560.91 131.71 o 0 1 -29 212.40 64.28 115.27 o 1 1 -29 137.04 97.40 116.21 o 2 1 -29 915.42 924.32 139.75 o 3 1 -29 1621.79 1656.21 161.76 o 4 1 -29 825.14 1032.27 141.06 o 5 1 -29 523.72 515.73 122.53 o 6 1 -29 378.52 434.95 119.74 o 7 1 -29 1342.47 1138.12 146.32 o 8 1 -29 1569.26 1393.70 154.17 o 9 1 -29 217.04 100.93 112.59 o 10 1 -29 180.77 179.67 118.90 o 11 1 -29 636.47 511.53 132.79 o 12 1 -29 747.86 543.90 131.87 o 13 1 -29 223.98 141.30 124.56 o 14 1 -29 39.51 -50.17 107.34 o 15 1 -29 260.88 56.64 171.19 o 16 1 -29 503.62 304.06 128.58 o 17 1 -29 276.23 -12.20 127.45 o 18 1 -29 13.84 13.53 148.37 o 19 1 -29 69.96 -176.52 278.12 o -3 2 -29 1254.17 1259.20 168.77 o -2 2 -29 525.22 528.32 140.18 o -1 2 -29 221.84 164.12 122.95 o 0 2 -29 721.95 633.91 135.32 o 1 2 -29 1445.74 1395.44 162.25 o 2 2 -29 368.55 336.39 120.47 o 3 2 -29 478.40 486.98 125.18 o 4 2 -29 687.74 616.10 131.24 o 5 2 -29 2950.88 2563.17 215.44 o 6 2 -29 799.28 837.48 138.41 o 7 2 -29 417.11 383.67 122.45 o 8 2 -29 943.00 738.29 139.31 o 9 2 -29 1033.51 940.43 147.58 o 10 2 -29 2188.27 1913.15 179.95 o 11 2 -29 1040.19 1101.57 158.06 o 12 2 -29 129.48 104.96 127.30 o 13 2 -29 1088.96 1016.45 161.93 o 14 2 -29 1658.70 1737.66 190.12 o 15 2 -29 1015.34 882.25 162.16 o 16 2 -29 35.01 -43.11 141.95 o 17 2 -29 186.69 54.68 124.15 o 18 2 -29 309.29 -1.08 127.66 o -1 3 -29 875.24 833.94 161.82 o 0 3 -29 237.24 326.03 141.13 o 1 3 -29 269.20 224.89 133.55 o 2 3 -29 16.88 -16.52 121.69 o 3 3 -29 962.16 895.01 153.83 o 4 3 -29 307.40 171.01 126.58 o 5 3 -29 89.71 38.29 118.79 o 6 3 -29 307.08 242.75 129.22 o 7 3 -29 1664.26 1254.84 168.86 o 8 3 -29 1200.43 1177.33 232.05 o 9 3 -29 214.38 117.99 84.06 o 10 3 -29 339.84 179.94 99.76 o 11 3 -29 1214.88 1105.00 132.29 o 12 3 -29 2003.52 2247.32 162.30 o 13 3 -29 1168.38 1020.53 119.84 o 14 3 -29 8.94 38.54 148.09 o 15 3 -29 315.42 296.90 163.54 o 16 3 -29 598.14 227.87 168.10 o 2 4 -29 122.65 8.38 135.11 o 3 4 -29 19.91 77.02 135.11 o 4 4 -29 13.02 -1.63 70.84 o 5 4 -29 117.63 46.76 92.28 o 6 4 -29 106.68 121.61 92.33 o 7 4 -29 5.34 -63.05 86.00 o 8 4 -29 69.81 -29.32 87.03 o 9 4 -29 178.73 64.79 91.11 o 10 4 -29 274.10 310.54 160.79 o 11 4 -29 19.03 35.29 92.65 o 12 4 -29 109.04 57.98 95.43 o 13 4 -29 124.60 234.94 102.20 o 1 0 -28 1780.42 1798.66 145.06 o 2 0 -28 917.73 853.75 122.97 o 3 0 -28 397.06 420.86 114.07 o 4 0 -28 1262.85 1207.82 138.21 o 5 0 -28 990.53 919.82 126.75 o 6 0 -28 1546.71 1332.51 134.17 o 7 0 -28 130.84 -32.24 101.63 o 8 0 -28 3077.81 2859.56 217.76 o 9 0 -28 3070.73 2940.94 222.56 o 10 0 -28 185.07 221.65 115.85 o 11 0 -28 38.26 -110.11 106.80 o 12 0 -28 840.36 699.96 134.90 o 13 0 -28 680.61 599.96 134.31 o 14 0 -28 1529.72 1307.34 159.79 o 15 0 -28 348.16 270.16 128.13 o 16 0 -28 90.52 -124.41 230.24 o 17 0 -28 1576.78 1181.56 166.98 o 18 0 -28 1377.56 1173.70 159.90 o 19 0 -28 428.07 288.14 138.76 o 20 0 -28 5.02 -248.66 163.28 o -5 1 -28 124.87 -58.42 121.64 o -4 1 -28 26.46 75.60 125.47 o -3 1 -28 123.67 -0.72 115.37 o -2 1 -28 641.10 561.75 130.71 o -1 1 -28 655.11 721.13 131.82 o 0 1 -28 23.12 -59.69 99.78 o 1 1 -28 103.95 -16.52 101.89 o 2 1 -28 2840.82 2755.20 190.17 o 3 1 -28 2254.15 2076.14 170.91 o 4 1 -28 227.90 281.86 111.79 o 5 1 -28 942.60 655.29 126.72 o 6 1 -28 761.92 614.03 124.85 o 7 1 -28 429.88 393.90 117.13 o 8 1 -28 1107.37 1106.23 141.34 o 9 1 -28 271.17 372.43 115.66 o 10 1 -28 1173.06 901.47 136.08 o 11 1 -28 1403.10 1268.64 155.51 o 12 1 -28 172.48 243.65 120.90 o 13 1 -28 37.58 -199.93 158.85 o 14 1 -28 438.15 251.99 135.71 o 15 1 -28 656.02 473.25 123.90 o 16 1 -28 841.77 835.04 178.20 o 17 1 -28 116.81 111.91 288.96 o 18 1 -28 263.40 55.48 132.20 o 19 1 -28 402.06 435.07 150.77 o -4 2 -28 35.97 -104.63 119.38 o -3 2 -28 251.36 264.81 129.31 o -2 2 -28 134.43 178.29 122.75 o -1 2 -28 199.60 151.18 113.32 o 0 2 -28 261.58 178.50 112.21 o 1 2 -28 191.22 138.47 108.32 o 2 2 -28 51.72 -6.28 99.88 o 3 2 -28 1128.08 1101.60 144.44 o 4 2 -28 458.58 364.92 118.89 o 5 2 -28 482.22 367.58 120.08 o 6 2 -28 45.55 51.60 109.21 o 7 2 -28 289.24 125.44 107.89 o 8 2 -28 28.45 116.40 107.79 o 9 2 -28 41.78 53.92 110.89 o 10 2 -28 291.21 240.37 122.63 o 11 2 -28 432.66 269.97 126.34 o 12 2 -28 16.24 83.95 123.09 o 13 2 -28 143.41 125.01 127.57 o 14 2 -28 60.17 49.31 132.42 o 15 2 -28 84.93 0.02 132.76 o 16 2 -28 21.36 -155.62 110.27 o 17 2 -28 42.10 -204.91 114.05 o 18 2 -28 162.27 182.53 356.57 o 19 2 -28 35.51 -220.65 272.80 o -2 3 -28 556.92 564.68 147.04 o -1 3 -28 155.76 53.09 126.89 o 0 3 -28 36.87 -114.22 116.16 o 1 3 -28 63.75 77.13 121.65 o 2 3 -28 314.31 393.83 132.81 o 3 3 -28 446.14 333.44 131.90 o 4 3 -28 101.21 51.17 116.09 o 5 3 -28 58.70 -95.84 90.46 o 6 3 -28 640.96 769.54 146.42 o 7 3 -28 103.81 207.95 100.90 o 8 3 -28 188.66 218.52 116.77 o 9 3 -28 3.83 -65.50 73.74 o 10 3 -28 282.00 325.12 102.05 o 11 3 -28 400.33 322.99 90.26 o 12 3 -28 102.63 -16.91 124.57 o 13 3 -28 32.76 43.30 88.22 o 14 3 -28 277.75 259.33 98.39 o 15 3 -28 76.93 8.61 92.64 o 16 3 -28 85.30 17.02 160.96 o 17 3 -28 37.14 184.44 171.58 o 0 4 -28 766.32 694.68 160.56 o 1 4 -28 1029.55 851.57 166.61 o 2 4 -28 135.77 138.09 77.08 o 3 4 -28 482.89 533.73 99.60 o 4 4 -28 1560.93 1723.74 113.24 o 5 4 -28 826.01 802.90 111.55 o 6 4 -28 458.77 767.16 179.59 o 7 4 -28 45.73 41.49 81.81 o 8 4 -28 964.64 989.59 114.37 o 9 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