# # h,k,l, Fo-squared, Fc-squared, sigma(Fo-squared) # data_I _shelx_title ' Compound Tris(2-methyl-8-selenoquinolinato-N,Se) antimony (III)' _shelx_F_squared_multiplier 1.000 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma 0 0 2 115.2 13509.6 41.7 0 0 4 736438.6 785959.3 31255.6 0 0 6 117253.0 115548.7 3050.7 0 0 8 361021.3 361463.9 8572.5 0 0 10 322.1 376.9 180.8 0 0 12 52374.7 53504.2 1896.7 0 0 14 6835.1 7169.8 560.1 0 0 16 1374.4 533.1 589.6 0 0 18 1248.7 1384.8 673.8 0 0 20 -898.2 59.4 941.9 0 0 22 613.8 241.0 906.4 0 2 0 6032.2 5803.9 291.9 0 2 1 6796.8 6257.3 209.4 0 2 2 5621.0 5216.4 139.1 0 2 3 45315.0 45395.3 886.0 0 2 4 63778.5 67331.8 1268.3 0 2 5 45749.2 45515.0 901.5 0 2 6 33592.9 34338.6 612.3 0 2 7 10807.1 11743.9 266.9 0 2 8 7566.3 7471.2 232.0 0 2 9 6572.5 6131.6 233.8 0 2 10 6254.0 5889.1 235.4 0 2 11 45794.4 46506.6 1060.5 0 2 12 8296.7 7698.7 329.8 0 2 13 17530.0 16530.2 617.3 0 2 14 10777.6 11964.2 418.0 0 2 15 14993.6 14793.7 681.2 0 2 16 6523.7 6589.7 416.9 0 2 17 380.0 1039.5 464.2 0 2 18 4156.9 4677.6 539.6 0 2 19 11129.1 10687.6 861.4 0 2 20 -756.9 33.2 617.9 0 2 21 1574.5 1108.9 544.9 0 2 22 1452.1 44.6 773.3 0 4 0 3724.0 4283.8 144.2 0 4 1 17591.7 19341.8 448.8 0 4 2 12185.2 12015.9 317.0 0 4 3 12918.6 12323.3 400.6 0 4 4 45713.0 48700.1 875.0 0 4 5 43240.2 45062.3 914.7 0 4 6 608.1 338.6 94.8 0 4 7 32141.6 31624.2 699.4 0 4 8 977.2 1064.0 144.4 0 4 9 6307.4 6374.1 247.4 0 4 10 9315.4 8224.1 306.1 0 4 11 -952.1 1487.5 181.0 0 4 12 2582.2 2674.1 244.4 0 4 13 15205.1 16093.1 543.7 0 4 14 -326.7 114.3 224.1 0 4 15 1975.4 2046.3 306.7 0 4 16 1039.1 1627.5 330.7 0 4 17 1045.6 543.6 352.3 0 4 18 596.3 135.5 624.2 0 4 19 743.9 628.7 527.4 0 4 20 1135.8 1229.7 574.4 0 4 21 1184.6 1.4 674.3 0 6 0 38197.7 36514.4 884.9 0 6 1 11119.2 10629.2 299.2 0 6 2 9980.7 9165.4 300.0 0 6 3 11606.4 10509.6 467.6 0 6 4 11379.1 12370.0 411.1 0 6 5 8592.2 8363.5 342.5 0 6 6 18022.7 16217.1 612.2 0 6 7 3012.1 2883.0 219.6 0 6 8 952.7 1065.5 82.3 0 6 9 38665.2 37960.3 1131.0 0 6 10 27265.7 26963.5 772.9 0 6 11 -656.4 63.8 241.8 0 6 12 708.9 245.7 195.5 0 6 13 -283.5 195.9 178.8 0 6 14 14086.6 14156.9 631.1 0 6 15 7444.3 8512.5 653.7 0 6 16 622.7 933.0 300.6 0 6 17 4224.1 4680.7 507.5 0 6 18 3194.7 2618.0 1157.4 0 6 19 -230.1 11.8 755.5 0 8 0 11271.7 8704.2 1177.2 0 8 1 15568.5 14374.6 531.5 0 8 2 617.6 592.6 147.2 0 8 3 12561.9 12095.5 522.3 0 8 4 5410.9 6125.4 278.3 0 8 5 4110.6 3787.4 327.2 0 8 6 -312.3 53.1 262.8 0 8 7 413.0 64.6 238.6 0 8 8 1469.0 1641.2 319.9 0 8 9 9283.7 8926.6 573.1 0 8 10 -1068.7 79.6 593.0 0 8 11 852.1 1121.6 566.0 0 8 12 587.3 1451.2 577.1 0 8 13 499.5 388.5 754.0 0 8 14 -878.4 8.7 744.0 0 8 15 3833.4 4410.5 822.8 0 8 16 -288.6 246.5 1011.1 0 8 17 759.6 220.2 826.5 0 10 0 -938.2 680.5 551.1 0 10 1 4434.8 4472.2 593.5 0 10 2 2843.5 2949.1 248.3 0 10 3 2553.7 2083.6 308.4 0 10 4 2845.2 2097.8 396.9 0 10 5 1757.9 1457.9 364.5 0 10 6 3818.3 4127.3 496.1 0 10 7 -797.5 11.3 404.7 0 10 8 238.4 193.2 500.4 0 10 9 2025.8 3491.5 675.3 0 10 10 7250.7 9635.8 958.2 0 10 11 1032.9 905.8 755.6 0 10 12 706.7 407.0 812.5 0 10 13 564.4 119.4 643.6 0 12 1 4508.1 6362.9 1030.4 0 12 2 1012.0 705.4 1002.7 0 12 3 3810.6 3789.9 844.8 0 12 4 2215.7 2196.7 866.5 0 12 5 7393.9 6420.8 1171.5 0 12 6 -876.3 4.6 1107.8 1 1 -22 2028.1 977.7 639.5 1 1 -21 643.4 223.2 526.4 1 1 -20 3209.1 2254.7 581.2 1 1 -19 -1069.4 33.2 649.8 1 1 -18 30571.0 28193.2 1509.8 1 1 -17 1105.9 394.6 474.7 1 1 -16 -296.3 209.2 303.2 1 1 -15 7467.4 7261.7 370.9 1 1 -14 6354.3 6370.2 341.4 1 1 -13 2311.1 2202.8 222.1 1 1 -12 17230.0 17605.9 470.3 1 1 -11 37122.9 35993.8 725.0 1 1 -10 26618.3 25967.6 614.0 1 1 -9 15589.6 14060.7 408.4 1 1 -8 60211.0 60280.6 1157.2 1 1 -7 213298.2 210006.1 3905.5 1 1 -6 7335.1 6883.7 215.2 1 1 -5 21752.0 20865.6 510.3 1 1 -4 9000.3 8538.8 268.0 1 1 -3 168463.6 216270.0 7081.9 1 1 -2 13099.3 241267.2 3084.9 1 1 -1 -167.7 14546.6 45.0 1 1 0 -39.2 106576.5 29.6 1 1 1 -286.3 262073.1 194.4 1 1 2 11039.8 13207.9 231.5 1 1 3 21350.3 20979.8 550.2 1 1 4 38654.3 39911.0 674.8 1 1 5 308537.2 315208.6 5341.8 1 1 6 272640.1 274114.0 4368.2 1 1 7 -176.4 0.7 144.5 1 1 8 1374.5 1425.7 135.1 1 1 9 82933.1 82981.0 1572.7 1 1 10 5635.6 5845.1 242.0 1 1 11 1971.5 1939.1 206.5 1 1 12 69400.0 65293.9 1630.7 1 1 13 14731.5 14097.4 529.4 1 1 14 22196.6 22418.4 805.1 1 1 15 713.7 30.2 264.3 1 1 16 10607.1 9762.5 663.4 1 1 17 -666.7 75.1 530.0 1 1 18 -870.8 708.6 514.3 1 1 19 -404.0 556.6 580.5 1 1 20 3785.9 3856.7 588.0 1 1 21 -395.9 141.2 720.4 1 1 22 950.2 30.2 673.3 1 3 -21 1859.4 456.6 886.3 1 3 -20 -681.1 15.6 612.6 1 3 -19 4116.8 2807.5 616.4 1 3 -18 2139.3 1981.1 483.1 1 3 -17 1843.3 1071.3 411.8 1 3 -16 852.7 1313.6 271.8 1 3 -15 -767.1 170.3 350.4 1 3 -14 16771.3 17085.8 675.7 1 3 -13 32688.8 32309.8 872.5 1 3 -12 526.2 552.5 173.9 1 3 -11 10121.1 10148.0 351.2 1 3 -10 20768.3 20881.5 483.2 1 3 -9 13515.1 12461.5 357.1 1 3 -8 989.5 626.4 172.7 1 3 -7 4494.5 5874.9 137.6 1 3 -6 40804.3 40170.5 806.3 1 3 -5 72782.2 72738.6 1358.6 1 3 -4 7686.8 7034.8 182.8 1 3 -3 625.3 793.4 42.4 1 3 -2 41872.3 43979.3 851.4 1 3 -1 271.2 131.5 70.4 1 3 0 110394.3 114438.1 2425.4 1 3 1 39818.8 42358.5 819.3 1 3 2 358.0 47.4 104.0 1 3 3 3282.0 3331.6 166.7 1 3 4 1323.7 1122.0 85.1 1 3 5 285.3 30.3 99.4 1 3 6 14497.9 13707.7 330.4 1 3 7 7805.7 7844.9 245.0 1 3 8 34265.3 35862.2 659.2 1 3 9 251.4 162.9 203.7 1 3 10 16884.6 16419.0 474.7 1 3 11 11304.8 11864.5 379.6 1 3 12 1390.7 1584.4 216.2 1 3 13 -509.6 96.9 194.3 1 3 14 -276.4 26.8 226.4 1 3 15 -540.8 535.8 338.2 1 3 16 6845.0 6978.2 467.3 1 3 17 5715.4 5749.0 495.6 1 3 18 2079.1 1586.4 549.6 1 3 19 2308.1 1330.6 766.0 1 3 20 -142.5 31.9 507.3 1 3 21 -476.2 987.0 567.5 1 5 -20 612.0 11.2 553.2 1 5 -19 -689.1 52.1 379.7 1 5 -18 2523.9 1787.0 467.3 1 5 -17 322.0 301.6 397.6 1 5 -16 3240.3 3474.0 315.3 1 5 -15 767.5 352.1 278.6 1 5 -14 1298.8 1474.7 256.2 1 5 -13 13704.3 12290.9 540.5 1 5 -12 12969.7 12731.2 481.8 1 5 -11 4608.0 4696.1 222.2 1 5 -10 621.6 749.2 127.4 1 5 -9 3653.3 3454.4 181.6 1 5 -8 47436.2 45769.5 1012.1 1 5 -7 4272.6 4666.0 147.1 1 5 -6 5489.0 5255.4 152.8 1 5 -5 15149.7 15969.5 599.5 1 5 -4 86218.9 85296.5 1943.7 1 5 -3 60425.2 55209.3 1321.9 1 5 -2 55847.7 54251.6 1334.5 1 5 -1 4184.1 4169.2 130.5 1 5 0 13635.6 14852.2 262.4 1 5 1 -255.4 43.4 146.8 1 5 2 134500.2 135538.3 3220.0 1 5 3 1687.6 1936.1 140.0 1 5 4 12693.7 13820.1 418.8 1 5 5 791.7 627.8 189.4 1 5 6 53906.7 53321.8 1050.3 1 5 7 6639.0 6439.8 227.5 1 5 8 4362.8 4780.7 151.2 1 5 9 25.5 226.2 44.8 1 5 10 45578.3 45541.5 1132.2 1 5 11 12981.7 12702.5 426.9 1 5 12 1558.4 1282.3 235.7 1 5 13 3572.1 3775.5 308.4 1 5 14 4826.5 4515.4 331.4 1 5 15 891.6 557.2 288.3 1 5 16 5779.3 6927.8 401.2 1 5 17 1114.7 489.0 511.4 1 5 18 2083.2 1027.6 485.0 1 5 19 4935.4 3889.4 586.7 1 5 20 956.6 1201.2 803.8 1 7 -18 417.9 50.5 792.8 1 7 -17 4093.6 3218.5 1005.0 1 7 -16 -283.8 230.3 687.4 1 7 -15 2519.3 1305.8 1018.2 1 7 -14 578.5 426.7 254.4 1 7 -13 793.2 645.5 238.1 1 7 -12 347.2 60.6 205.4 1 7 -11 8142.7 8352.6 309.9 1 7 -10 -0.3 20.3 5.9 1 7 -9 13483.5 13554.7 624.1 1 7 -8 1708.4 2111.9 240.1 1 7 -7 1712.4 1904.1 265.9 1 7 -6 1034.9 1251.1 208.1 1 7 -5 4505.5 4193.0 345.2 1 7 -4 6610.3 6390.9 355.5 1 7 -3 62073.7 61972.9 1639.8 1 7 -2 223.4 168.5 133.8 1 7 -1 3158.4 2999.9 151.0 1 7 0 9878.6 9474.6 208.9 1 7 1 17950.6 16939.6 527.9 1 7 2 533.3 91.2 184.4 1 7 3 19311.3 18096.4 664.4 1 7 4 7440.3 7870.3 377.3 1 7 5 37667.2 34355.1 1014.9 1 7 6 383.8 255.8 210.3 1 7 7 31179.4 30844.9 1043.2 1 7 8 469.4 73.1 276.5 1 7 9 6402.7 8343.8 419.2 1 7 10 1382.6 1188.3 355.4 1 7 11 6846.1 6995.1 319.2 1 7 12 539.8 44.6 167.8 1 7 13 453.0 157.6 228.4 1 7 14 813.3 986.1 311.0 1 7 15 16461.0 14142.5 1319.0 1 7 16 -504.6 2.8 924.3 1 7 17 1290.9 351.7 807.8 1 7 18 1832.4 691.8 1089.5 1 9 -15 963.3 1794.9 811.5 1 9 -14 1297.6 1071.7 635.4 1 9 -13 314.5 1215.3 561.1 1 9 -12 270.9 354.0 496.4 1 9 -11 -146.8 162.9 486.7 1 9 -10 125.0 217.9 418.9 1 9 -9 12998.5 12511.7 737.2 1 9 -8 2199.7 2693.8 385.4 1 9 -7 1598.7 2659.0 370.6 1 9 -6 -368.4 59.9 232.3 1 9 -5 -362.2 155.8 200.2 1 9 -4 4354.8 4400.1 276.5 1 9 -3 1708.3 1926.6 190.6 1 9 -2 -296.6 150.7 176.1 1 9 -1 1254.1 913.0 387.8 1 9 0 3277.3 3366.2 454.0 1 9 1 -363.4 324.6 99.2 1 9 2 1728.5 1834.9 182.4 1 9 3 1686.0 1511.3 204.7 1 9 4 1181.5 1214.9 188.2 1 9 5 355.4 107.8 256.5 1 9 6 568.0 40.7 322.6 1 9 7 4248.0 4689.5 385.0 1 9 8 842.1 701.0 355.0 1 9 9 88.5 68.8 374.0 1 9 10 877.2 244.6 487.7 1 9 11 4871.0 4047.0 893.8 1 9 12 1002.3 294.1 729.0 1 9 13 1588.1 1165.9 815.3 1 9 14 216.3 128.9 921.6 1 9 15 7043.9 5717.3 1056.1 1 11 -9 2676.9 719.6 1202.8 1 11 -8 5902.2 4566.7 1115.9 1 11 -7 38.6 3.9 730.8 1 11 -6 3926.4 2767.0 946.3 1 11 -5 512.2 1093.0 765.5 1 11 -4 10915.9 9003.1 986.8 1 11 -3 -1287.2 840.8 737.2 1 11 -2 4430.5 2764.1 603.1 1 11 -1 -1002.3 108.8 482.1 1 11 0 1167.7 1668.1 586.3 1 11 1 -397.1 7.2 537.4 1 11 2 17389.4 15590.6 1034.8 1 11 3 -1157.6 167.4 541.1 1 11 4 7467.3 5862.7 890.9 1 11 5 -1254.8 12.6 705.6 1 11 6 4895.0 5129.3 1192.0 1 11 7 886.7 1533.0 910.5 1 11 8 826.8 6.6 876.2 1 11 9 595.2 55.8 808.5 2 0 -22 -791.4 63.4 832.5 2 0 -20 1737.7 1357.3 786.7 2 0 -18 1863.6 2105.0 588.5 2 0 -16 3968.6 4779.4 648.5 2 0 -14 11280.7 11569.1 643.1 2 0 -12 40813.4 38625.1 1343.3 2 0 -10 46768.1 45695.0 1298.5 2 0 -8 1360.5 104.3 280.6 2 0 -6 582020.8 593979.1 17466.4 2 0 -4 1804.1 876.1 277.6 2 0 -2 -52.5 755006.1 31.1 2 0 0 -19.7 311.1 19.7 2 0 2 -23156.1 137926.1 1503.1 2 0 4 435621.4 442147.6 12922.8 2 0 6 229238.7 235953.3 5849.5 2 0 8 863.7 796.9 254.4 2 0 10 -67.8 66.7 201.7 2 0 12 45900.8 49615.4 1573.5 2 0 14 4572.2 3570.3 474.4 2 0 16 -568.7 50.5 484.6 2 0 18 6023.9 4954.3 952.8 2 0 20 436.3 1358.6 632.6 2 2 -22 -469.5 128.3 799.2 2 2 -21 7434.9 6536.2 790.9 2 2 -20 5588.3 5125.7 675.5 2 2 -19 375.2 81.0 505.0 2 2 -18 12079.4 12349.7 848.3 2 2 -17 14750.6 14954.9 892.3 2 2 -16 -254.1 2.7 286.4 2 2 -15 1260.1 1686.0 354.5 2 2 -14 246.7 105.5 203.0 2 2 -13 47976.9 47777.3 1067.6 2 2 -12 42528.3 40548.5 882.0 2 2 -11 1481.4 1335.3 202.1 2 2 -10 25681.0 26268.1 605.6 2 2 -9 32264.4 32512.7 682.9 2 2 -8 1012.1 705.9 146.5 2 2 -7 4514.8 5781.9 201.6 2 2 -6 20151.2 19461.5 424.6 2 2 -5 43231.1 45134.0 823.5 2 2 -4 26257.1 26134.4 550.6 2 2 -3 25612.7 23260.8 515.7 2 2 -2 47209.3 44865.3 851.1 2 2 -1 23825.3 26463.4 570.8 2 2 0 27452.2 28972.2 672.6 2 2 1 2367.3 1847.7 75.9 2 2 2 2439.1 2002.1 89.7 2 2 3 73727.4 74822.3 1462.3 2 2 4 9827.8 9507.0 241.4 2 2 5 54213.4 52376.5 1075.7 2 2 6 1581.7 1143.0 133.1 2 2 7 65529.5 67498.3 1220.6 2 2 8 11482.3 11576.2 308.8 2 2 9 27797.2 25469.1 598.5 2 2 10 33334.6 31509.2 703.9 2 2 11 36790.6 36849.1 949.6 2 2 12 24753.4 24681.7 697.6 2 2 13 17657.9 17446.5 649.1 2 2 14 -687.7 79.4 352.9 2 2 15 12467.3 13074.1 637.2 2 2 16 421.7 53.9 316.1 2 2 17 15462.9 11453.0 906.6 2 2 18 7233.3 8309.6 664.2 2 2 19 2073.5 1936.1 541.8 2 2 20 1208.3 875.3 618.6 2 2 21 1347.3 2294.2 815.4 2 4 -21 -2574.0 24.9 693.4 2 4 -20 1314.2 23.0 668.8 2 4 -19 -1583.2 535.1 710.1 2 4 -18 -258.0 15.0 505.4 2 4 -17 -387.6 38.8 321.7 2 4 -16 6460.7 6679.1 435.4 2 4 -15 5363.8 5883.1 388.4 2 4 -14 -563.2 566.3 217.4 2 4 -13 -425.1 258.1 194.2 2 4 -12 8778.8 8377.0 369.1 2 4 -11 8303.8 8408.5 326.4 2 4 -10 10535.1 9869.5 309.3 2 4 -9 21130.0 20082.0 504.1 2 4 -8 37613.2 37318.7 757.7 2 4 -7 80271.5 81123.4 1540.5 2 4 -6 8758.0 8495.3 212.5 2 4 -5 342.7 27.6 92.2 2 4 -4 31373.0 31720.3 569.1 2 4 -3 19423.9 18576.3 485.4 2 4 -2 24024.8 26368.9 588.8 2 4 -1 76220.8 80762.8 1414.3 2 4 0 34414.4 32895.3 636.1 2 4 1 183358.4 181178.2 4324.0 2 4 2 58186.4 59172.8 1147.0 2 4 3 7565.8 7957.6 287.0 2 4 4 25567.9 24625.0 537.7 2 4 5 3314.4 3141.8 142.9 2 4 6 7791.7 7058.0 283.2 2 4 7 45686.1 44191.4 942.6 2 4 8 2158.2 2064.8 154.8 2 4 9 8444.0 8679.6 278.9 2 4 10 8829.9 8371.8 289.9 2 4 11 7132.8 7537.2 307.2 2 4 12 3865.3 3521.3 254.4 2 4 13 402.2 35.2 261.4 2 4 14 7098.7 7426.6 435.1 2 4 15 505.2 132.6 204.6 2 4 16 1220.4 1350.8 340.3 2 4 17 1346.3 2237.4 405.7 2 4 18 -289.5 418.7 526.2 2 4 19 422.7 1.9 686.7 2 4 20 764.4 581.5 632.7 2 6 -19 3080.8 68.4 1204.5 2 6 -18 810.9 751.4 493.2 2 6 -17 1388.6 1861.9 329.3 2 6 -16 7879.8 7092.1 649.6 2 6 -15 -536.8 464.0 522.7 2 6 -14 2907.7 3177.7 278.7 2 6 -13 407.0 303.5 248.6 2 6 -12 10198.5 10327.2 514.8 2 6 -11 7336.1 7025.7 293.0 2 6 -10 2590.6 2611.7 156.1 2 6 -9 3691.1 3922.0 148.5 2 6 -8 11918.7 11100.3 334.4 2 6 -7 2883.3 2333.8 255.3 2 6 -6 8461.8 7785.0 332.9 2 6 -5 25450.9 25869.8 690.8 2 6 -4 755.9 735.0 196.5 2 6 -3 33606.2 34556.6 848.8 2 6 -2 25078.2 23630.8 551.6 2 6 -1 260.0 275.3 93.2 2 6 0 11254.5 10481.4 227.2 2 6 1 6703.9 6716.7 227.1 2 6 2 30556.2 29189.9 762.7 2 6 3 73175.2 71145.3 2140.1 2 6 4 47235.9 47609.7 1225.6 2 6 5 1745.8 2116.0 222.2 2 6 6 11540.1 10929.0 410.6 2 6 7 9040.9 9333.2 419.3 2 6 8 37127.6 36037.1 876.6 2 6 9 7683.2 7275.8 252.1 2 6 10 5303.9 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