The Dependence of Co2+-Exchange Into Zeolite FAU on Its Si/Al Ratio

Supporting Material

Calculated structure factors squared, and observed structure factors squared with esds

The Dependence of Co2+-exchange into Zeolite FAU on Its Si/Al Ratio

Sung Man Seo1, Woo Taik Lim2,*, Nam Ho Heo3, and Karl Seff4,*

1Life and Industry Convergence Research Institute, Pusan National University, Miryang 627-706, Korea 2Department of Applied Chemistry, Andong National University, Andong 760-749, Korea 3Department of Applied Chemistry, Kyungpook National University, Daegu 702-701, Korea 4Department of Chemistry, University of Hawaii, Honolulu, HI 96822-2275, U. S. A. crystal 1

2 h k l Fcal^2 Fobs^2 (Fobs^2) h k l Fcal^2 Fobs^2 (Fobs^2)

0 2 2 157154.2 101996.1 851.45 0 8 8 8 121841.7 117260.5 1329.67 2 2 2 14067.42 20475.85 277.49 2 1 1 9 2881.77 6520.74 72.69 1 1 3 299450.7 297010.3 2118.01 1 1 3 9 116419.3 110770.8 427.52 1 3 3 351389 378892.9 2653.99 1 3 3 9 10972.57 15018.77 123.7 3 3 3 89148.07 64569.71 756.5 3 1 5 9 222.45 556.45 33.1 0 0 4 93640.84 102103.3 1060.77 0 3 5 9 115.31 858.46 35.97 2 2 4 2002.23 -21.81 21.81 2 5 5 9 68948.59 64194.99 380.68 0 4 4 105972.7 130345.2 1092.28 0 1 7 9 122320.5 110059.2 424.25 2 4 4 929.95 4193.66 101.75 2 3 7 9 1006.21 1427.92 123.55 4 4 4 5466.54 11332.38 196.39 4 5 7 9 2371.79 1617.23 41.12 1 1 5 17209.53 15051.39 131.33 1 7 7 9 48733.9 48031.76 335.78 1 3 5 49376.27 45206.17 204.97 1 1 9 9 6020.44 8419.75 94.52 3 3 5 397253.2 417081.1 2382.16 3 3 9 9 7504.65 7715.46 101.81 1 5 5 10844.41 12696.56 123.76 1 5 9 9 30057.25 27609.03 204.03 3 5 5 867.83 835.78 58.14 3 7 9 9 431.74 218.01 50.87 0 2 6 4502.5 5940.37 283.65 0 9 9 9 2126.63 4033.7 174.43 2 2 6 2799.81 3169.9 65.43 2 0 2 10 651.71 1294.3 69.04 2 4 6 358980.8 373730.3 2584.59 2 2 2 10 7606.86 15601.09 138.19 4 4 6 946.72 516.01 43.61 4 2 4 10 1989.11 1431.89 41.12 0 6 6 93181.76 79992.98 714.29 0 4 4 10 18348.28 17896.78 138.34 2 6 6 20970.55 21886.1 182.2 2 0 6 10 29532.82 22220.57 169.86 4 6 6 457502.2 454212.9 2283.87 4 2 6 10 12198.71 10190.28 72.03 6 6 6 785866.1 980331.1 10274.03 6 4 6 10 2930.5 2325.07 47.25 1 1 7 9000.96 16564.39 131 1 6 6 10 4647.2 5488.77 87.24 1 3 7 18231.14 13701 92.76 1 2 8 10 36391.62 39315.48 195.94 3 3 7 78278.09 73865.41 426.37 3 4 8 10 448.41 1222.97 50.87 1 5 7 7071.08 7088.55 61.72 1 6 8 10 3004.07 2416.86 46.26 3 5 7 111231.7 102432.2 437.95 3 8 8 10 336.93 486.88 72.67 5 5 7 64538.99 49161.87 307.63 5 0 10 10 246723.2 287750.6 2071.27 1 7 7 511.7 1947.59 50.87 1 2 10 10 539.38 973.78 72.67 3 7 7 317.51 -29.07 29.07 3 4 10 10 28208.05 28692.44 211.24 5 7 7 184555.7 196043.9 1038.05 5 6 10 10 1438.66 3052.37 79.94 7 7 7 24364.21 21883.5 320.53 7 8 10 10 47762.48 45593.08 320.92 0 0 8 3084.37 10294.47 247.18 0 10 10 10 14988.37 19074.28 327.36 2 2 8 166352.3 147161.8 788.55 2 1 1 11 104843.5 87897.29 477.82 0 4 8 206138.8 211504.4 1117.05 0 1 3 11 12838.09 10864.44 77.18 2 4 8 30127.58 31373.72 189.7 2 3 3 11 46843.29 48553.57 306.7 4 4 8 90693.4 78582.57 433.59 4 1 5 11 21559.31 17924.04 152.94 2 6 8 36293.06 25602.89 156.92 2 3 5 11 562.54 632.99 35.97 4 6 8 22233.6 21094.04 145.7 4 5 5 11 16812.55 12154.79 109.17 6 6 8 15190.04 19011.18 181.96 6 1 7 11 26745.58 27133.01 136.44 0 8 8 293928.8 327918.3 2413.92 0 3 7 11 775.04 919.61 40.15 2 8 8 66376.43 59169.91 373.24 2 5 7 11 2262.03 2234.58 48.62 4 8 8 25614.44 26644.54 211.29 4 7 7 11 6072.87 7743.01 116.33 6 8 8 3544.92 6694.92 87.23 6 1 9 11 420.27 378.44 41.11

h k l Fcal^2 Fobs^2 (Fobs^2) h k l Fcal^2 Fobs^2 (Fobs^2)

3 3 9 11 87236.04 97738.77 411.35 9 9 13 17163.06 16995.52 160.06 5 9 11 124.86 1000.42 79.93 1 11 13 20168.88 23338.93 320.22 7 9 11 21201.87 22368.11 571.4 3 11 13 12467.19 12748.49 120.01 9 9 11 38261.31 35665.95 247.78 5 11 13 129.41 153.55 58.92 1 11 11 242906.9 273384.1 1555.76 7 11 13 2585.66 2160.48 61.03 3 11 11 2489.34 3430.55 87.22 9 11 13 507.55 291.55 53.77 5 11 11 24384.04 24738.9 196.57 11 11 13 3489.8 4041.18 123.56 7 11 11 1138.82 1671.48 72.67 1 13 13 17809.66 18938.69 174.62 9 11 11 10526.37 13278.92 152.71 3 13 13 26228.97 25625.08 203.84 11 11 11 222020.9 254973 3702.42 5 13 13 1622.11 2100.3 94.48 0 0 12 297351.6 242325.1 2343.37 7 13 13 1410.92 1453.47 87.21 2 2 12 3714.21 3554.74 72.69 9 13 13 1195.89 3299.32 130.81 0 4 12 1850.56 1389.19 61.78 11 13 13 231.1 1017.35 101.73 2 4 12 48490.89 45424.83 203.87 13 13 13 7850.24 9654.63 210.83 4 4 12 44549.61 39272.84 248.1 0 2 14 19720.9 21524.2 222.02 2 6 12 4143.64 3348.06 46.26 2 2 14 19092.03 18095.23 145.58 4 6 12 90.9 111.42 38.28 2 4 14 1402.98 1247.89 79.94 6 6 12 1543.18 981.13 43.61 4 4 14 1223.12 2260.17 72.67 0 8 12 78883.58 81449.44 437.14 0 6 14 6554.05 6068.92 98.15 2 8 12 2465.03 2482.64 101.76 2 6 14 70036.7 70820.2 394.65 4 8 12 180.2 418.63 51.38 4 6 14 20288.3 21832.82 115.71 6 8 12 6170.37 4745.1 76.34 6 6 14 25511.06 22884.31 160.18 8 8 12 71199.38 74335.59 467.61 2 8 14 5863.11 6437.64 66.83 2 10 12 286.77 717.28 56.52 4 8 14 3933.01 4092.58 61.68 4 10 12 19.15 48.32 134.43 6 8 14 59811.27 68822.03 788.27 6 10 12 33687.38 34013.2 291.41 8 8 14 1388.23 1373.54 94.48 8 10 12 410.38 459.22 76.3 0 10 14 24696.07 25610.65 187.84 10 10 12 45048.96 52162.79 349.89 2 10 14 46.98 390.07 61.66 2 12 12 1951.43 1795.13 87.21 4 10 14 1.23 11.09 90.83 4 12 12 11347.88 11636.35 123.64 6 10 14 1296.67 1976.62 83.57 6 12 12 5272.02 4950.47 94.5 8 10 14 6230.59 6276.34 84.7 8 12 12 615.56 726.7 72.67 10 10 14 115.11 501.4 87.2 10 12 12 5763.55 5248.54 123.58 2 12 14 15288.29 14462.21 105.35 12 12 12 27689.19 25368.55 363.97 4 12 14 1.11 185.3 66.8 1 1 13 1040.95 646.8 65.41 6 12 14 5.78 141.7 76.3 1 3 13 98.37 602.17 46.25 8 12 14 5499.51 4284.51 74.4 3 3 13 57419.29 57459.08 336.02 10 12 14 3056.48 4450.55 84.68 1 5 13 2742.61 3017.27 51.4 12 12 14 47.25 -145.33 145.33 3 5 13 581.06 477.35 41.11 0 14 14 30.03 610.4 159.87 5 5 13 12320.15 11478.82 109.11 2 14 14 5681.87 5270.3 101.77 1 7 13 24563.96 25723.2 128.73 4 14 14 4759.06 4310.46 101.76 3 7 13 41604.22 42323.82 255.22 6 14 14 27148.67 22208.7 167.42 5 7 13 37685.86 40819.57 233.24 8 14 14 300.45 181.67 94.47 7 7 13 626.14 1300.8 94.47 10 14 14 1438.62 1664.21 101.74 1 9 13 26049.37 26908.59 338.6 12 14 14 3644.13 4012.05 109.02 3 9 13 10168.96 10272.4 82.28 14 14 14 4445.56 5960.15 188.98 5 9 13 32035.17 35344.58 164.83 1 1 15 424.73 748.49 72.67 7 9 13 4830.65 4946.74 71.96 1 3 15 7744.56 6875.15 64.12

4 3 3 15 40088.01 47342.91 284.32 4 10 16 1341.68 871.16 64.08 1 5 15 9035.9 7912.52 72.72 6 10 16 6.63 294 53.77 3 5 15 28726.27 25944.89 142.02 8 10 16 1027.83 1033.46 112.64 5 5 15 3649.93 3794.27 87.22 10 10 16 2585.65 2892.6 109.02 1 7 15 439.08 1748.09 87.2 0 12 16 28 519.2 94.47 3 7 15 681.77 1008.07 51.39 2 12 16 152.81 227.87 69.03 5 7 15 533.3 876.5 52.32 4 12 16 86.36 247.07 66.8 7 7 15 24.61 523.2 94.47 6 12 16 655.34 504.79 64.08 1 9 15 12111.34 12238.06 89.89 8 12 16 5420.25 5361.15 77.1 3 9 15 1157.85 1303.7 64.08 10 12 16 147.9 92.21 74.37 5 9 15 16997.79 15646.55 112.77 12 12 16 3352.22 4709.72 109.02 7 9 15 9361.57 9138.88 89.87 2 14 16 4062.98 4668.74 69.24 9 9 15 2498.39 2420.2 101.75 4 14 16 1227.54 661.15 83.57 1 11 15 7714.1 7659.86 309 6 14 16 188.53 210.74 61.66 3 11 15 9157.33 8656.48 87.41 8 14 16 404.44 336.72 76.56 5 11 15 119.94 79.93 61.66 10 14 16 647.3 574.46 71.94 7 11 15 11701.37 11541.05 196.35 12 14 16 100.22 121.03 74.37 9 11 15 2102.39 2377.06 239.83 14 14 16 2937.83 3103.36 116.29 11 11 15 57.8 268.87 109 0 16 16 767.98 1344.4 130.81 1 13 15 966.68 1272.79 66.8 2 16 16 1576.23 1882.24 101.74 3 13 15 630.08 862.86 69.23 4 16 16 6831.53 7051.48 101.77 5 13 15 13667.84 12123.39 301.83 6 16 16 254.99 210.74 87.2 7 13 15 525.15 212.25 61.02 8 16 16 2317.88 1860.51 116.28 9 13 15 3109.64 3140.07 77.09 10 16 16 22.88 159.87 116.27 11 13 15 35.75 -38.86 58.92 12 16 16 424.2 574.08 138.07 13 13 15 189.07 14.53 94.47 14 16 16 26.46 -109 109 1 15 15 6.85 174.4 94.47 1 1 17 44918.35 46720.95 269.77 3 15 15 4419.44 4048.64 87.22 1 3 17 1537.42 1795.54 56.53 5 15 15 5255.14 3699.92 94.5 3 3 17 1752.7 1933.18 79.94 7 15 15 1333.91 850.27 94.47 1 5 17 3421.81 3311.21 58.94 9 15 15 4119.22 4215.68 116.29 3 5 17 3179.61 3830.46 61.67 11 15 15 384 247.07 123.54 5 5 17 131414.9 143025.1 755.31 13 15 15 3.37 -50.87 94.47 1 7 17 1377.61 1378.19 79.94 15 15 15 2173.75 1359.03 181.69 3 7 17 2366.57 2147.84 87.21 0 0 16 115949.2 129560.8 1356.62 5 7 17 53452.3 55502.1 229.09 2 2 16 9321.28 11031.57 116.35 7 7 17 1414.79 2056.66 94.48 0 4 16 23928.19 22797.03 163.77 1 9 17 1686.72 2437.24 79.94 2 4 16 1330.64 2140.67 58.93 3 9 17 24361.69 21334.54 120.86 4 4 16 881.85 8473.51 109.01 5 9 17 1239.81 1799.01 66.8 2 6 16 4370.49 6451.43 66.82 7 9 17 8717.15 9652.08 95.01 4 6 16 10.4 -45.31 79.93 9 9 17 3697.56 4884.33 109.03 6 6 16 246216 277815.6 2047.71 1 11 17 311.44 790.79 58.92 0 8 16 151.24 719.56 101.73 3 11 17 348.5 432.1 61.66 2 8 16 573.13 460.67 53.77 5 11 17 6235.13 6020.15 109.04 4 8 16 14660.06 13354.34 501.92 7 11 17 3769.16 5074.66 185.34 6 8 16 2505.83 2038.8 116.29 9 11 17 690.33 587.17 66.8 8 8 16 30269.85 30639.44 233 11 11 17 1502.67 2078.45 116.28 2 10 16 220.79 181.67 61.66 1 13 17 1370.01 1874.51 64.08

h k l Fcal^2 Fobs^2 (Fobs^2) h k l Fcal^2 Fobs^2 (Fobs^2) 5 3 13 17 869.38 1232.43 79.94 12 14 18 207.8 126.44 114.84 5 13 17 2176.7 3328.7 890.28 14 14 18 1221.98 770.32 145.34 7 13 17 86.56 -58.92 58.92 2 16 18 808.44 663.72 110.39 9 13 17 19.5 62.64 74.37 4 16 18 13.88 -58.92 58.92 11 13 17 612.17 700.83 74.38 6 16 18 7480.59 7197.02 94.51 13 13 17 3359.91 3248.8 109.02 8 16 18 56.21 36.33 78.53 1 15 17 155.87 67.22 71.39 10 16 18 29.51 115.59 203.57 3 15 17 345.78 303.7 64.08 12 16 18 27.16 -792.07 792.07 5 15 17 3238.86 3369.58 69.24 2 18 18 1.07 -145.33 566.8 7 15 17 280.2 361.5 66.8 4 18 18 787.43 603.16 145.34 9 15 17 1679.91 1523.62 112.64 6 18 18 269.16 712.14 109 11 15 17 305.44 464.37 122.04 8 18 18 360.57 472.34 196.2 13 15 17 11.8 -105.37 134.43 1 1 19 17926.83 21048.06 174.61 1 17 17 162.2 247.07 283.4 1 3 19 221.21 207.1 61.66 3 17 17 107.64 138.07 101.73 3 3 19 1077.26 981.07 87.21 5 17 17 13837.26 14049.96 123.63 1 5 19 32.51 105.37 61.66 7 17 17 3630.99 3495.96 130.83 3 5 19 4378.95 5044.56 71.96 9 17 17 891.39 603.16 145.34 5 5 19 489.02 588.62 87.2 0 2 18 86.19 382.37 82.21 1 7 19 2572.97 3681.62 66.81 2 2 18 21401.2 22618.9 160.11 3 7 19 11168.44 10932.36 81.79 2 4 18 2764.32 3953.84 66.81 5 7 19 1924.92 3129.93 123.55 4 4 18 13516.96 12910.28 123.65 7 7 19 813.52 254.35 79.94 0 6 18 8224.03 9375.95 113.11 1 9 19 6553.09 5712.53 112.68 2 6 18 648.74 985.01 58.93 3 9 19 0.6 -61.77 61.77 4 6 18 10762.79 9497.25 87.41 5 9 19 1385.1 1855.34 127.18 6 6 18 5758.65 5815.53 94.5 7 9 19 67.72 30.95 69.22 2 8 18 11238.07 10065.03 130.9 9 9 19 1123.12 1424.36 101.74 4 8 18 168.2 179.85 76.3 1 11 19 84.88 87.2 66.8 6 8 18 2.12 46.93 61.02 3 11 19 2117.61 2686.47 69.23 8 8 18 839.25 588.63 94.47 5 11 19 277.9 207.83 64.08 0 10 18 7.93 308.48 79.52 7 11 19 136.1 -2.34 59.11 2 10 18 41.89 409.57 72.67 9 11 19 52.27 90.83 82.21 4 10 18 58.07 226.18 61.02 11 11 19 283.99 566.81 130.8 6 10 18 160.92 415.37 66.21 1 13 19 354.98 506.8 94.47 8 10 18 369.34 305.05 94.47 3 13 19 94.31 35.83 74.37 10 10 18 835.34 1446.14 101.74 5 13 19 0.31 -8.85 58.92 2 12 18 81.53 -44.47 69.03 7 13 19 254.97 363.34 79.52 4 12 18 2543.25 2329.6 66.81 9 13 19 417.35 426.66 232.77 6 12 18 963.47 986.57 66.21 11 13 19 1491.51 1593.6 457.84 8 12 18 1516.72 1741.34 74.38 13 13 19 1799.92 1744.17 152.61 10 12 18 8.8 -71.94 71.94 1 15 19 1326.78 1021.63 225.28 12 12 18 65.02 -145.33 159.87 3 15 19 1022.55 1124.32 76.57 0 14 18 967 773.96 128.47 5 15 19 1237.88 1200.69 76.57 2 14 18 110.1 136.13 76.56 7 15 19 352.66 304.5 79.52 4 14 18 3551.01 3972.26 74.39 9 15 19 88.4 54.17 111.65 6 14 18 796.29 829.69 74.38 11 15 19 566.13 1235.37 363.34 8 14 18 1798.26 2260.19 92.5 1 17 19 13.29 -356.07 581.33 10 14 18 828.08 1112.22 301.09 3 17 19 545.89 850.45 140.68

h k l Fcal^2 Fobs^2 (Fobs^2) h k l Fcal^2 Fobs^2 (Fobs^2) 6 5 17 19 255.88 58.13 82.21 7 7 21 271.58 472.34 94.47 7 17 19 93.72 159.45 89.81 1 9 21 4196.87 2875.05 61.67 3 19 19 172.55 1264.41 443.27 3 9 21 211.62 88.78 58.92 0 0 20 3058.07 3110.76 181.7 5 9 21 944.65 518.7 76.57 2 2 20 6163.8 7175.07 116.31 7 9 21 468.61 301.51 146.38 0 4 20 37.22 215.44 86.9 9 9 21 2123.89 2383.75 370.64 2 4 20 1563.39 1369.21 64.08 1 11 21 11440.36 11494.04 112.71 4 4 20 2907.72 3125.24 94.48 3 11 21 5630.26 5125.34 149.01 2 6 20 12397.46 12351.02 138.17 5 11 21 24.07 123.53 89.81 4 6 20 24.46 69.03 56.52 7 11 21 251.34 284.11 104.49 6 6 20 348.43 574.08 79.94 9 11 21 8.73 17.44 102.38 0 8 20 44504.89 39856.93 211.24 11 11 21 3678.5 3764.87 109.02 2 8 20 117.3 248.57 58.92 1 13 21 73.3 77.21 101.73 4 8 20 6790.7 6834.2 181.74 3 13 21 2474.73 2091.28 77.09 6 8 20 619.4 387.83 64.08 5 13 21 0.82 3.32 89.81 8 8 20 2454.41 2005.89 116.28 7 13 21 1483.68 757.93 138.08 2 10 20 3125.4 2936.25 141.73 9 13 21 9 -83.57 83.57 4 10 20 308.68 262.9 69.03 11 13 21 32.23 -105.19 106.44 6 10 20 616.14 768.06 71.94 1 15 21 1222.93 1111.87 356.09 8 10 20 50.89 19.98 205.63 3 15 21 201.56 -244.94 244.94 10 10 20 232.41 472.34 188.94 5 15 21 1084.3 651.01 130.96 0 12 20 4427.05 3078.77 110.41 7 15 21 23.3 116.27 128.46 2 12 20 524.07 486.24 69.23 1 17 21 12.2 -327 327 4 12 20 4090.85 4307.29 74.39 3 17 21 433.33 167.14 545.01 6 12 20 14.68 14.3 78.53 0 2 22 4120.89 4651.82 92.51 8 12 20 241.01 -116.27 169.3 2 2 22 195.41 -43.6 109 10 12 20 0.02 -23.66 127.17 2 4 22 1965.06 1504.52 61.67 12 12 20 706.4 712.16 138.07 4 4 22 972.8 835.72 87.21 2 14 20 2064.59 1808.45 94.48 0 6 22 9676.88 9159.99 149.05 4 14 20 192.12 47.64 68.09 2 6 22 3314.88 2634.73 61.67 6 14 20 3405.18 3448.48 94.97 4 6 22 778.05 1192.17 69.04 8 14 20 395.17 64.92 114.85 6 6 22 3724.57 3474.21 101.76 10 14 20 1771.36 1358.72 120.03 2 8 22 2334.52 1800.9 64.08 0 16 20 2506.28 3183.23 726.77 4 8 22 466.07 195.33 98.1 2 16 20 26.26 43.6 312.47 6 8 22 9.43 30.24 78.53 4 16 20 2827.83 2254.51 107.55 8 8 22 261.22 436.01 174.4 6 16 20 0.09 211.36 88.93 0 10 22 20855.97 22329.16 136.25 8 16 20 3.36 -9.93 363.84 2 10 22 2066.32 1916.67 71.4 2 18 20 379.48 -7.27 341.54 4 10 22 653.48 652.04 82.22 1 1 21 3172.01 3743.08 87.22 6 10 22 73.62 107.51 100.1 1 3 21 2748.9 2360.03 64.09 8 10 22 1518.18 1076.39 290.69 3 3 21 3031.05 3234.27 94.48 10 10 22 517.54 508.68 130.8 1 5 21 8379.64 7483.07 87.24 2 12 22 136.33 348.95 66.8 3 5 21 120.53 -50.62 50.62 4 12 22 49.53 23.88 87.2 5 5 21 1688.02 2114.82 79.94 6 12 22 863.52 918.29 153.9 1 7 21 1327.9 680.94 58.93 8 12 22 25.45 77.98 105.24 3 7 21 2975.42 1967.12 69.05 10 12 22 3721.2 3340.04 268.92 5 7 21 489.77 346.31 64.08 0 14 22 584.37 696.86 170.77

2 14 22 305.1 307.46 147.95 3 5 25 1759.57 1269.65 400.73 4 14 22 122.91 29.07 184.98 3 7 25 83.06 189.15 377.87 6 14 22 954.01 637.86 181.07 1 9 25 156.36 365.47 210.74 8 14 22 193.58 549.89 251.59 3 9 25 187.41 -14.53 530.47 1 1 23 5425.97 4950.17 94.5 1 3 23 955.25 923.08 130.81 3 3 23 3232.9 2456.59 94.48 1 5 23 1162.14 864.85 61.66 3 5 23 10.27 16.35 76.3 5 5 23 20.71 -116.27 116.27 1 7 23 690.12 398.7 66.21 3 7 23 2701.13 2953.33 552.35 5 7 23 813.46 545.2 127.17 7 7 23 158.96 123.53 167.14 1 9 23 606.19 509.03 79.94 3 9 23 697.56 671.39 94.96 5 9 23 6.93 268.3 363.33 7 9 23 322.74 276.14 348.81 9 9 23 1361.42 1148.22 196.21 1 11 23 5115.85 4619.79 119.93 3 11 23 3.17 25.43 92.06 5 11 23 233.7 1104.55 588.61 7 11 23 32.01 -202.47 202.47 9 11 23 118.46 5341.12 2906.69 1 13 23 7.6 86.16 163.5 3 13 23 253.85 169.99 143.6 5 13 23 470.22 436.01 755.75 7 13 23 2.9 -407.61 407.61 0 0 24 17720.94 14693.32 218.22 2 2 24 4654.99 3961.37 94.49 0 4 24 72.75 -17.95 83.34 2 4 24 147.86 45.68 102.15 4 4 24 380.16 690.35 167.14 2 6 24 816.5 685.81 88.94 4 6 24 45.93 -5.25 137.6 6 6 24 147.26 43.6 167.13 0 8 24 128.69 206.87 164.19 2 8 24 114.87 -30.58 136.09 4 8 24 190.05 77.93 144.81 2 10 24 4.47 89.54 134.22 4 10 24 3.49 137.03 523.2 8 10 24 21.22 14.53 181.67 0 12 24 1277.91 534.87 116.85 2 12 24 0.46 143.88 89.81 1 1 25 147.72 116.27 87.2 1 3 25 1192.87 863.43 89.82 3 3 25 51.09 29.07 152.6 1 5 25 1.79 8.5 146.59

8 crystal 2

0 2 2 365852.9 239288.2 2121.58 8 8 8 264789.5 279298.3 2984.59 2 2 2 35071.27 39433.35 441.23 1 1 9 1828.77 5032.29 61.37 1 1 3 487430.8 463181.6 3024.09 1 3 9 152543 155296.1 2298.75 1 3 3 431638.7 429812.7 2901.46 3 3 9 11757.71 15704.62 135.38 3 3 3 48760.91 47626.09 490.73 1 5 9 406.57 902.1 18.4 0 0 4 188670.3 132526 1364.12 3 5 9 81.16 890.43 30.67 2 2 4 253.87 61.34 12.27 5 5 9 108675.9 105976.8 667.39 0 4 4 146970 135567.1 1154.88 1 7 9 173163.9 171951.9 699.34 2 4 4 283.88 1447.69 24.54 3 7 9 330.76 811.36 36.8 4 4 4 429.43 2404.74 85.88 5 7 9 2899.16 2924.77 98.2 1 1 5 13762.26 16014.6 123.57 7 7 9 91278.45 95777.5 675.19 1 3 5 50440.11 53332.31 239.69 1 9 9 10100.88 15245.26 135.24 3 3 5 418718.7 468021.6 2785.42 3 9 9 30358.75 27214.73 197.57 1 5 5 5392.89 8777.06 86.05 5 9 9 78196.5 77463.02 523.57 3 5 5 487.3 1030.61 24.54 7 9 9 1154.98 2147.21 61.35 0 2 6 6295.29 9397.91 82.29 9 9 9 6051.18 12231.59 233.33 2 2 6 8441.78 10205.33 86.17 0 2 10 37.66 1010.64 104.27 2 4 6 392502.2 448383.3 4798.42 2 2 10 13431.21 26002.05 196.99 4 4 6 1060.92 343.6 24.54 2 4 10 3736.46 4438.86 43.41 0 6 6 188785.4 167022.5 1352.94 4 4 10 22128.38 23335.3 172.67 2 6 6 31961.11 33732.08 247.85 0 6 10 33813.08 29614.61 209.88 4 6 6 680490.7 679016.6 3812.98 2 6 10 31339.92 26133.6 166.84 6 6 6 1168915 1604990 21451.71 4 6 10 2026.26 2398.44 349.77 1 1 7 4998.05 4166.62 49.16 6 6 10 11340.08 12235.69 122.97 1 3 7 33294.61 24135.09 316.57 2 8 10 96029.72 88312.28 407 3 3 7 111339 125866.7 738.07 4 8 10 10.4 213.86 20.41 1 5 7 19880.75 14223.99 160.49 6 8 10 4097.3 6606.69 55.93 3 5 7 137305.7 135968.5 1124.22 8 8 10 252.11 380.29 49.07 5 5 7 98123.63 68672.8 441.1 0 10 10 480950.9 568751.3 4022.76 1 7 7 3349.97 2922.3 49.11 2 10 10 1894.4 1767.12 49.09 3 7 7 41.76 797.36 24.53 4 10 10 49884.93 49767.14 346.81 5 7 7 262773.2 285718.1 1619.76 6 10 10 3620.63 8064.88 98.2 7 7 7 69522.41 72159.97 909.95 8 10 10 125842.1 109719.8 752.36 0 0 8 13261.48 14036.71 221.83 10 10 10 33078.05 39928.92 579.75 2 2 8 215783.5 196360.6 1035.82 1 1 11 188454 160044.1 886.14 0 4 8 327888.6 330661.2 13637.78 1 3 11 16120.58 15484.47 178.58 2 4 8 30538.46 29857.87 148.83 3 3 11 77644.84 90118.06 524.74 4 4 8 130325.5 127379.9 724.91 1 5 11 40983.16 35918.08 191.95 2 6 8 36629.17 27244.08 315.96 3 5 11 3279.57 2093.1 26.04 4 6 8 37129.1 37238.15 196.91 5 5 11 38640.77 28957.85 210.29 6 6 8 16264.3 18436.06 160.1 1 7 11 66900.26 64610.54 1244.46 0 8 8 435733.1 502000.3 3709.29 3 7 11 2128.34 2209.06 29.45 2 8 8 96486.12 90786.63 577.54 5 7 11 6105.66 4741.77 61.41 4 8 8 42391.59 45493.47 309.73 7 7 11 23901.87 22084.26 197.18 6 8 8 5862.51 9507 110.55 1 9 11 225.33 109.48 49.07

3 9 11 174461 187228.1 2625.37 7 9 13 8510.64 10330.82 82.18

10 5 9 11 269.49 1674.55 34.7 9 9 13 58400.95 57415.56 458.14 7 9 11 64500.55 62093.57 2314.57 1 11 13 49787.61 54971.59 1187.6 9 9 11 95281.82 88419.46 623.37 3 11 13 42008.77 39113.91 1216.83 1 11 11 631997.7 678380.6 3488.73 5 11 13 982.7 1340.13 61.34 3 11 11 12739.86 12000.38 110.66 7 11 13 6267.33 7306.48 69.46 5 11 11 75570.64 74582.77 497.22 9 11 13 3515.66 2542.12 61.37 7 11 11 4129.27 7291.72 98.2 11 11 13 20246.66 19870.07 209.16 9 11 11 31144.22 35470.92 308.23 1 13 13 53961.2 59015.59 408.28 11 11 11 875296.1 951451.5 8935.5 3 13 13 84170.13 80665.16 509.59 0 0 12 541575.8 478267.1 4784.32 5 13 13 7117.55 6520.95 85.96 2 2 12 6482.38 7641.44 86 7 13 13 4253.43 3670.18 85.92 0 4 12 3247.21 3505.05 52.08 9 13 13 16228.76 16476.62 184.44 2 4 12 77638.41 79777.26 344.08 11 13 13 4836.81 5499.34 98.2 4 4 12 100500.8 77857.04 476.11 13 13 13 44631.62 50769.51 666.4 2 6 12 8956.51 7785.78 60.83 0 2 14 62874.6 56820.84 1534.15 4 6 12 80.17 141.34 17.35 2 2 14 30173.27 33678.75 246.82 6 6 12 5521.37 4027.91 61.4 2 4 14 2436.94 3086.92 34.71 0 8 12 180164.2 171460.9 2069.95 4 4 14 233.36 613.38 36.8 2 8 12 5794.58 7252.05 60.79 0 6 14 11487.88 11646.73 233.58 4 8 12 703.06 1416.2 85.88 2 6 14 184792.9 190605.6 5721.14 6 8 12 13511.14 11650.46 190.61 4 6 14 55162.32 56263.08 303.57 8 8 12 222558.1 212836.1 1337.55 6 6 14 59757.91 61708.35 433.87 2 10 12 1785.83 2441.93 34.71 2 8 14 10338.04 11313.52 104.46 4 10 12 99.33 51.52 20.41 4 8 14 6591.84 7014.41 55.95 6 10 12 90196.36 91362.85 427.17 6 8 14 163452.9 183051.9 1695.01 8 10 12 2268.23 2699.81 52.06 8 8 14 1450.48 1950.91 61.35 10 10 12 171570.4 179626.9 1158.88 0 10 14 69889.32 74436.76 527.49 0 12 12 1408550 1723157 22680.19 2 10 14 280.39 577.62 26.02 2 12 12 11480.52 9685.28 98.33 4 10 14 1193.22 622.53 29.45 4 12 12 30628.82 25978.8 209.61 6 10 14 5620.54 6760.02 79.81 6 12 12 12697.32 12734.84 135.22 8 10 14 29433.57 25318 174.27 8 12 12 6602.65 5022.39 85.96 10 10 14 292.54 821.92 61.34 10 12 12 21080.71 20587.74 209.2 2 12 14 57068.34 53374.99 1163.49 12 12 12 139564.8 134670.5 1551.39 4 12 14 699.02 622.47 29.44 1 1 13 1207.22 1411.07 36.81 6 12 14 1.69 92 34.7 1 3 13 607.95 1607.28 26.03 8 12 14 22232.92 20509.76 143.39 3 3 13 99829.05 101990.8 588.46 10 12 14 22586.03 22270.98 227.67 1 5 13 7824.69 6989.24 55.97 12 12 14 109.83 147.21 61.34 3 5 13 2620.18 1698.17 29.46 0 14 14 1939.04 2233.24 85.89 5 5 13 25332.69 22669.72 172.58 2 14 14 23905.07 24473.68 196.97 1 7 13 46656.89 46744.39 218.81 4 14 14 25551.86 22545.34 184.7 3 7 13 100419.4 96871.35 410.94 6 14 14 134705.1 119435.1 712.71 5 7 13 90578.95 94860.9 1053.81 8 14 14 1844.2 1546.04 73.62 7 7 13 944.31 1496.82 49.08 10 14 14 6640.69 7010.79 110.5 1 9 13 64856.63 68586.77 1303.19 12 14 14 32390.22 30823 271.03 3 9 13 25171.88 23861.08 252.61 14 14 14 32538.87 41498.52 578.93 5 9 13 72716.13 75713.33 664.59 1 1 15 139.43 969.12 36.8

11 1 3 15 22586.31 20801.65 449.64 2 10 16 389.32 814.13 29.44 3 3 15 88319.37 107170.9 623.3 4 10 16 8839.98 8197.88 196.54 1 5 15 27666.78 27160.04 400.69 6 10 16 1380.97 1644.21 43.38 3 5 15 88735.94 87299.88 666.68 8 10 16 2778.48 2766.23 47.14 5 5 15 14903.07 14783.35 135.29 10 10 16 18279.51 18853.64 209.07 1 7 15 3618.09 5323.15 104.34 0 12 16 1284.88 1688.84 55.21 3 7 15 2844.35 2932.95 38.33 2 12 16 51.86 68.35 29.44 5 7 15 2860.7 3074.96 43.39 4 12 16 937.31 1080.2 34.7 7 7 15 58.43 748.29 36.8 6 12 16 6599.6 4734.04 55.25 1 9 15 24107.48 26801.33 184.74 8 12 16 29693.7 31032.76 1040.86 3 9 15 360.93 823.58 36.8 10 12 16 1090.92 652.25 47.13 5 9 15 48480.95 50409.81 618.13 12 12 16 31945.42 35981.84 283.32 7 9 15 34652.19 36439.49 196.08 2 14 16 20171.04 22308.87 125.91 9 9 15 8704.16 8696.41 122.83 4 14 16 3356.59 2916.09 147.27 1 11 15 30143.6 31720.01 493.01 6 14 16 3204.72 3313.42 141.13 3 11 15 28195.87 25585.63 585.25 8 14 16 2153.98 2251.79 52.06 5 11 15 1746.7 1620.69 61.35 10 14 16 4554.36 5070.34 73.65 7 11 15 66115.68 63257.33 910.49 12 14 16 798.77 719 52.05 9 11 15 10782.78 9708.42 90.91 14 14 16 32001.21 33361.79 270.93 11 11 15 717.89 1680.74 73.61 0 16 16 11124.38 12039.6 171.99 1 13 15 5072.97 5003.19 55.24 2 16 16 7602.7 7637.83 98.24 3 13 15 2477.55 2717.27 153.39 4 16 16 59635.63 52743.94 358.55 5 13 15 67734.32 59827.34 520.28 6 16 16 2143.78 2331.38 73.62 7 13 15 1072.72 1298 165.63 8 16 16 17446.13 17851.52 184.42 9 13 15 17934.99 17172.58 125.86 10 16 16 520.04 699.26 73.61 11 13 15 299.95 191.3 43.37 12 16 16 6732.81 7218.92 122.77 13 13 15 671.65 1508.97 73.61 14 16 16 313.92 294.42 85.87 1 15 15 834.16 907.86 49.07 1 1 17 134095.4 134279.8 752.69 3 15 15 15437.18 15526.76 159.82 1 3 17 5607.92 4745.87 52.09 5 15 15 22029.73 19760.81 184.57 3 3 17 4649.25 5107.02 73.66 7 15 15 14814.13 13152.05 147.5 1 5 17 10652.9 9205.42 110.6 9 15 15 22916.9 25481.97 246.08 3 5 17 8784.58 8943.75 73.71 11 15 15 4812.08 3805.12 85.92 5 5 17 495918.4 517262.8 2534.96 13 15 15 31.88 -85.87 98.14 1 7 17 4182.04 4684.33 79.79 15 15 15 25375.51 24510.87 381.44 3 7 17 6855.75 8714.09 104.38 0 0 16 321264.3 354908.9 3603 5 7 17 205325.1 215278.2 1562.46 2 2 16 21233.23 25488.66 197.01 7 7 17 11930.12 11809.76 135.18 0 4 16 73872.91 69959.66 851.15 1 9 17 8729.06 10206.17 73.45 2 4 16 2841.69 3049.3 38.33 3 9 17 103729 102145 504.6 4 4 16 1642.77 24172.74 208.6 5 9 17 3211.64 5137.08 67.5 2 6 16 13381.89 18393.01 113.02 7 9 17 40422.64 42481.93 438.04 4 6 16 7.09 42.93 26.02 9 9 17 24556.94 26465.5 221.57 6 6 16 884427.2 955188 4967.4 1 11 17 4347.99 4947.02 52.08 0 8 16 513.47 700.14 43.37 3 11 17 2530.56 2988.08 134.99 2 8 16 3815.67 3137.09 38.34 5 11 17 38301.93 34834.51 777.06 4 8 16 41823.73 44180.75 213.8 7 11 17 23542.5 24497.91 886.14 6 8 16 6588.09 6810.28 92.1 9 11 17 3142.15 3233.84 60.74 8 8 16 127137.7 121208 725.05 11 11 17 13248.55 15422.07 172.04

12 1 13 17 10924.1 11748.16 178.14 4 14 18 25862.87 30033.38 166.17 3 13 17 5279.38 7224.38 64.67 6 14 18 5675.58 4769.25 60.76 5 13 17 13316.8 11678.38 190.49 8 14 18 18986.43 21031.17 282.82 7 13 17 653.99 355.77 38.32 10 14 18 6580.77 6765.44 82.13 9 13 17 86.03 311.82 47.12 12 14 18 2769.78 2405.7 60.74 11 13 17 6898.35 6820.33 78.14 14 14 18 12664.41 13427.96 159.71 13 13 17 30784.71 33395.29 258.59 2 16 18 6770.71 6819.77 221 1 15 17 829.92 1147.12 43.38 4 16 18 123.4 143.32 49.07 3 15 17 3169.79 3296.46 67.5 6 16 18 78656.89 76367.99 545.04 5 15 17 30391.96 27994.56 165.47 8 16 18 283.76 343.93 52.05 7 15 17 1985.82 2774.41 61.35 10 16 18 974.62 1111.95 60.73 9 15 17 15241.48 15438.5 147.49 12 16 18 444.56 338.36 60.72 11 15 17 5081.79 5253.8 73.39 0 18 18 5337.67 3928.01 122.75 13 15 17 291.87 392.94 52.05 2 18 18 525.24 674.73 73.61 15 15 17 153.61 122.67 98.14 4 18 18 5286.57 4345.31 98.2 1 17 17 2519.86 2392.83 61.35 6 18 18 5372.93 7622.73 122.75 3 17 17 19.51 343.48 61.34 8 18 18 4083.65 4258.71 110.46 5 17 17 124993.9 124828 760.01 10 18 18 7196.1 8250.35 110.5 7 17 17 38015.75 35705.21 320.45 1 1 19 90484.51 87351.31 534.83 9 17 17 6357.39 6702.97 110.49 1 3 19 368.97 345.25 34.7 11 17 17 5011.45 6419.47 110.47 3 3 19 5205.31 5328.08 73.66 13 17 17 424.1 269.89 110.41 1 5 19 179.42 250.87 36.8 0 2 18 1871.12 1718.25 52.06 3 5 19 22773.56 23639.99 166.17 2 2 18 76306.22 71322.8 459.43 5 5 19 1043.91 1263.69 49.08 2 4 18 10890.24 14200.08 436.23 1 7 19 15941.78 17034.57 319.69 4 4 18 53076.22 48582.91 333.95 3 7 19 45220.38 47690.61 882.86 0 6 18 37932.71 37981.36 839.06 5 7 19 13483.65 14851.13 387.16 2 6 18 1488.49 1970.34 38.32 7 7 19 2788.29 2527.99 61.36 4 6 18 44207.59 43142.85 213.81 1 9 19 40472.36 37763.33 894.47 6 6 18 19335.16 20975.52 184.54 3 9 19 56.75 239.37 34.7 2 8 18 40242.72 43002.92 567.68 5 9 19 11371.95 12084.28 90.91 4 8 18 556.08 420.36 36.8 7 9 19 336.07 625.88 34.7 6 8 18 68.18 184.82 34.7 9 9 19 9624.35 8499.63 110.54 8 8 18 5924.68 5082.78 85.94 1 11 19 220.76 325.2 34.7 0 10 18 297.21 736.05 67.47 3 11 19 13245.24 14931.83 95.59 2 10 18 154.84 1669.16 43.37 5 11 19 1784.28 1590.12 43.38 4 10 18 25.67 777.28 49.07 7 11 19 518.83 546.34 38.32 6 10 18 1604.66 1935.8 134.97 9 11 19 1309.34 1902.42 52.05 8 10 18 1095.17 1351.35 49.08 11 11 19 6765.03 6654.38 110.5 10 10 18 9054.35 9260.45 122.82 1 13 19 3430.2 3487.52 85.91 2 12 18 843.37 867.05 42.94 3 13 19 401.96 903.05 38.32 4 12 18 13973.52 11651.17 909.5 5 13 19 76.45 263.59 55.2 6 12 18 9724.09 9983.02 540.46 7 13 19 1798.44 1740.52 55.9 8 12 18 8291.13 9151.71 159.65 9 13 19 1341.4 1497.22 60.73 10 12 18 0.63 41.71 61.24 11 13 19 17465.47 15627.3 184.4 12 12 18 271.58 699.24 73.6 13 13 19 18486.67 18502.63 184.41 0 14 18 3898.72 2893.46 64.66 1 15 19 11467.81 11045.5 122.85 2 14 18 441.07 645.69 38.32 3 15 19 13642.54 13537.07 99.64

13 5 15 19 11589.27 12439.99 141.28 2 18 20 4853.41 3729.39 196.38 7 15 19 4225.02 3888.8 128.87 4 18 20 198.98 300.67 60.72 9 15 19 213.97 104.74 55.88 1 1 21 17998.26 19861.93 159.88 11 15 19 6629.34 6287.63 251.67 1 3 21 15490.74 14027.36 95.62 1 17 19 64.56 89.22 47.12 3 3 21 23355.86 22792.87 184.61 3 17 19 9150.26 9235.09 86.84 1 5 21 44635.39 43886.28 864.02 5 17 19 2975.6 2233.66 60.74 3 5 21 967.76 1173.23 43.38 7 17 19 1987.07 1843.43 73.62 5 5 21 14623.7 14221.24 135.21 9 17 19 45.15 134.94 61.34 1 7 21 5666.11 3824.37 52.08 1 19 19 279.57 220.81 73.6 3 7 21 15119.78 13469.03 90.95 3 19 19 2012.69 1680.97 85.89 5 7 21 1426.75 2141.15 43.38 5 19 19 379.5 552.04 98.14 7 7 21 945.63 1656.25 61.34 0 0 20 21087.6 17596.72 319.94 1 9 21 23692.38 21560.1 130.52 2 2 20 35957.18 34307.29 258.97 3 9 21 2255.59 1988.52 43.38 0 4 20 429.75 699.26 52.05 5 9 21 6659.12 6205.55 64.68 2 4 20 6244.64 5053.06 55.25 7 9 21 2919.69 2970.18 52.06 4 4 20 16783.35 20080.34 172.15 9 9 21 18580.04 19808.41 159.84 2 6 20 62981.95 63999.71 1045.85 1 11 21 81659.46 84107.25 1289.2 4 6 20 342.95 378.25 61.34 3 11 21 36437.79 36169.97 573.09 6 6 20 3676.68 4639.28 73.64 5 11 21 16.59 408.16 43.37 0 8 20 255535.6 239905.2 1188.45 7 11 21 2195.15 2676.77 85.89 2 8 20 489.44 1283.42 42.94 9 11 21 133.97 147.21 58.88 4 8 20 39118.16 41926.55 209.3 11 11 21 49333 50543.94 357.86 6 8 20 5071.58 4542.73 61.38 1 13 21 1953.07 1696.27 47.13 8 8 20 13504.43 12817.39 122.89 3 13 21 25271.85 23389.45 467.62 2 10 20 21816.55 21939.01 578.25 5 13 21 9.64 198.16 55.88 4 10 20 1699.36 1393.19 67.48 7 13 21 13210.3 12699.57 460.75 6 10 20 6713.41 7176.66 69.45 9 13 21 675.51 788.39 64.63 8 10 20 157.44 227.11 43.37 11 13 21 133.16 186 85.87 10 10 20 4942.89 4848.48 110.47 1 15 21 9044.63 9135.83 147.37 0 12 20 17676.36 16286.2 160.67 3 15 21 842.03 1079.6 55.89 2 12 20 2551.3 2452.06 47.13 5 15 21 10231.01 9532.16 110.54 4 12 20 28761.37 31007.79 948.08 7 15 21 21.06 25.3 67.78 6 12 20 308.08 92.01 43.37 9 15 21 4648.04 4410.98 227.06 8 12 20 261.9 238.58 55.88 1 17 21 17.27 99.08 55.88 10 12 20 179.25 159.47 60.72 3 17 21 6503.58 4433.12 251.66 12 12 20 7809.36 6642.67 122.79 0 2 22 29626.55 31628.2 880.64 2 14 20 19294.62 17982.71 713.22 2 2 22 478.84 772.87 61.34 4 14 20 578.85 730.4 52.05 2 4 22 15229.45 14020.26 116.78 6 14 20 34787.5 34307.96 1613.9 4 4 22 11698.1 9779.81 110.58 8 14 20 2334.2 1804.51 60.74 0 6 22 71584.73 71416.24 817.33 10 14 20 23232.53 20586.13 130.47 2 6 22 19048.26 17934.67 270.56 12 14 20 231.2 221.95 60.72 4 6 22 11260.33 11502.92 245.7 0 16 20 18255.28 16947.39 134.54 6 6 22 29701.36 30625.74 197.03 2 16 20 1967.93 1491.02 52.06 2 8 22 16903.33 15029.44 104.32 4 16 20 31741.94 30901.56 615.71 4 8 22 3384.66 2332.78 49.09 6 16 20 28.73 227.75 79.74 6 8 22 879.8 1403.67 49.07 8 16 20 1090.1 1379.45 85.88 8 8 22 1685.6 1950.86 73.62

h k l Fcal^2 Fobs^2 (Fobs^2) h k l Fcal^2 Fobs^2 (Fobs^2) 14 0 10 22 211842.8 217995.7 1086.4 6 6 24 350.34 883.26 61.34 2 10 22 14263.71 14454.61 99.65 0 8 24 2858.46 3103.81 92.03 4 10 22 5261.35 4964.05 220.95 2 8 24 600.8 419.89 47.12 6 10 22 825.64 1009.89 85.88 4 8 24 2104.95 1785.49 52.06 8 10 22 13275.88 13577.73 264.17 6 8 24 92.21 159.47 52.04 10 10 22 3671.34 4356.7 110.45 8 8 24 24.69 73.6 73.6 2 12 22 2275.94 3311.61 55.9 2 10 24 310.73 653.49 47.12 4 12 22 61.32 110.4 47.12 4 10 24 67.58 177.87 52.04 6 12 22 13023.45 13914.25 933.77 6 10 24 7091.45 6661.18 73.41 8 12 22 62.89 95.31 55.88 8 10 24 275.87 175.01 64.62 10 12 22 57115.14 55666.24 266.23 0 12 24 16901.71 12886.63 454.79 0 14 22 9143.63 8834.97 111.89 2 12 24 302.41 770.69 60.72 2 14 22 4716.7 5587.34 122.74 4 12 24 103.11 190.14 60.72 4 14 22 2986.15 2994.67 69.42 1 1 25 479.46 1042.75 73.61 6 14 22 11991.68 12011.05 190.41 1 3 25 13227.32 12079.25 227.31 8 14 22 5259.64 4406.59 86.79 3 3 25 806.44 993.72 73.61 2 16 22 1891.72 1647.38 73.36 1 5 25 53.86 300.67 52.04 1 1 23 43345 43328.47 296.09 3 5 25 19008.71 18413.34 129.1 1 3 23 9322.59 8291.54 98.26 5 5 25 4802.64 5461.98 85.92 3 3 23 20648.4 20258.3 172.2 1 7 25 215.35 202.41 52.05 1 5 23 9121.85 8756.76 78.16 3 7 25 2275.48 3039 79.76 3 5 23 378.81 265.04 43.37 5 7 25 204.98 45.56 61.34 5 5 23 194.65 196.28 61.34 7 7 25 14875.69 13849.21 135.17 1 7 23 5367.69 4652.51 60.76 1 9 25 5436.34 5291.79 190.26 3 7 23 25456.98 23787.38 633.8 3 9 25 2140.15 2049.1 64.64 5 7 23 10931.05 10073.75 98.27 5 9 25 8825.74 8068.25 78.15 7 7 23 811.06 932.38 73.61 1 11 25 870.49 1834.14 85.88 1 9 23 8026.41 7666.33 73.42 0 2 26 4813.47 4121.61 251.62 3 9 23 8616.79 8862.03 128.94 2 2 26 5965.33 5560.94 98.21 5 9 23 52.87 194.04 47.12 2 4 26 4917.91 4582.23 141.15 7 9 23 3242.76 4423.05 64.65 4 4 26 446.05 686.99 73.61 9 9 23 14592.27 15434.33 147.46 0 6 26 5568.74 5156.37 208.68 1 11 23 67159.65 66905.72 401.95 2 6 26 6200.69 6454.13 141.17 3 11 23 21.04 315.69 67.47 4 6 26 54.56 760.56 60.72 5 11 23 5492.65 6186.77 69.44 6 6 26 7753.02 5954.88 98.22 7 11 23 224.02 197.27 55.88 2 8 26 152.65 110.4 60.72 9 11 23 727.02 1080.83 64.63 1 1 27 1301.82 1202.35 85.88 1 13 23 58.19 233.67 55.2 1 3 27 2023.38 1733.65 64.64 3 13 23 1208.48 809.92 52.05 3 3 27 6932.95 7783.57 98.22 5 13 23 6584.68 7468.67 184.15 7 13 23 49.71 80.96 64.62 0 0 24 143486.7 140212.6 1461.46 2 2 24 46112.19 42619.13 283.8 0 4 24 1200.67 1120.45 64.63 2 4 24 1820.07 1644.98 52.06 4 4 24 5614.49 5474.93 85.93 2 6 24 7974.66 7694.04 92.09 4 6 24 711.44 1092.41 52.05

crystal 3 15 16 h k l Fcal^2 Fobs^2 (Fobs^2) h k l Fcal^2 Fobs^2 (Fobs^2)

0 2 2 379644 241114.1 2410.55 6 8 8 3830.71 8116.05 127.48 2 2 2 24632.15 26211.74 376.73 8 8 8 267463.9 287656.9 3212.78 1 1 3 495397.1 455622.7 2354.38 1 1 9 1951.36 8028.58 99.12 1 3 3 435844.1 417409.7 2241.08 1 3 9 157661.6 138659.9 739.47 3 3 3 64473.68 57970.72 707.5 3 3 9 12589.8 17906.3 170.54 0 0 4 220291.9 145134.3 1677.18 1 5 9 1398.5 2512.7 40.04 2 2 4 69.89 42.45 28.3 3 5 9 197.22 434.48 35.38 0 4 4 123424.7 104358.6 1137.96 5 5 9 130741.1 120596.6 735.17 2 4 4 1888.96 4065.23 70.82 1 7 9 180371.9 168522.4 708.14 4 4 4 3309.76 4506.86 155.9 3 7 9 223.56 1085.77 33.96 1 1 5 14418.25 17754.25 142.83 5 7 9 1665.49 1399.43 35.39 1 3 5 56807.3 61433.37 1051.83 7 7 9 78750.94 82133.98 620.91 3 3 5 383974.7 410370.3 2379.93 1 9 9 12799.92 17053.04 170.39 1 5 5 4791.49 7913.52 99.27 3 9 9 30844.84 27148.7 213.99 3 5 5 706.76 1344.61 28.31 5 9 9 60655.7 57433.35 416.7 5 5 5 2536209 3536989 65015.65 7 9 9 1804.93 2986.81 99.09 0 2 6 11098.71 13805.13 327.39 9 9 9 4298.22 15636.14 354.08 2 2 6 6224.96 9468 113.56 0 2 10 256.14 1316.15 50.03 2 4 6 376442.5 426661.3 1672.15 2 2 10 15934.25 32972.58 270.27 4 4 6 723.15 99.07 42.46 2 4 10 4669.45 4493.59 85.02 0 6 6 218909 179360.5 1751.06 4 4 10 28002.82 29095.12 228.31 2 6 6 25090.74 25506.81 200.05 0 6 10 34751.32 29778.13 643.32 4 6 6 644668 609579.3 3438.9 2 6 10 26761.08 22051.26 934.09 6 6 6 1078710 1676054 15766.63 4 6 10 2210.84 2514.05 49.55 1 1 7 1991.77 3016.69 70.81 6 6 10 12503.72 13202.91 141.97 1 3 7 30068.55 22664.24 164.9 2 8 10 86231.88 76928.12 1266.71 3 3 7 105606.1 112064.6 664.5 4 8 10 31.86 99.05 30.02 1 5 7 24774.07 18454.14 121.24 6 8 10 1922.67 4211.73 70.07 3 5 7 129951 128709.1 3900.88 8 8 10 39.23 183.94 84.9 5 5 7 88453.09 52560.44 408.24 0 10 10 440909.3 534412.9 4642.85 1 7 7 8063.62 7733.04 99.32 2 10 10 1251.61 1372.9 70.77 3 7 7 72.38 537.68 42.45 4 10 10 48902.12 46696.73 329.25 5 7 7 229933.3 242004.3 1544.13 6 10 10 3563.92 11286.28 169.93 7 7 7 79857.03 82433.79 1070.94 8 10 10 113199.7 95497.77 695.9 0 0 8 27806.14 32903.09 529.77 10 10 10 35070.53 43141.28 627.09 2 2 8 211163.7 179185.7 1011.05 1 1 11 172725.1 136574.8 774.72 0 4 8 360325.9 361632.3 12753.94 1 3 11 15123.46 18004.11 163.47 2 4 8 29029.59 27892.52 156.53 3 3 11 75892.46 81927.14 491.79 4 4 8 146885.2 135609.6 862.33 1 5 11 43449.32 36930.96 336.66 2 6 8 31392.27 22907.48 136.23 3 5 11 1499.51 984.25 40.04 4 6 8 37633.97 35539.28 680.23 5 5 11 49019.72 38030.1 286.7 6 6 8 10091.71 10785.94 156.11 1 7 11 55833.8 51063.57 251.31 0 8 8 453823 546952.4 4610.77 3 7 11 3985.95 3812.75 54.41 2 8 8 109206.1 94728.58 584.47 5 7 11 7559.9 5954.59 60.15 4 8 8 33855.34 35278.11 257.19 7 7 11 21136.79 19653.2 213.31

17 1 9 11 431.95 382.07 40.02 5 9 13 73690.72 72595.76 1006.12 3 9 11 161782.4 172767.5 7385.44 7 9 13 6707 7697.7 113.35 5 9 11 474 2592.95 212.26 9 9 13 56136.73 57698.85 486.43 7 9 11 57979.29 54857.48 415.66 1 11 13 41763.39 45293.45 428.2 9 9 11 94925.86 88057.49 649.5 3 11 13 43172.98 37324.94 201.89 1 11 11 546370.9 593513.6 3242.98 5 11 13 1412.27 1376.46 127.38 3 11 11 9070.61 9584.44 127.6 7 11 13 8472.83 9491.55 162.99 5 11 11 73047.43 67874.38 474.34 9 11 13 2388.18 1635.26 80.08 7 11 11 3461.44 7362.99 141.6 11 11 13 15437.71 14018.62 184.46 9 11 11 30257.05 33082.7 298.94 1 13 13 60379.22 67832.84 486.77 11 11 11 786336.9 917055.9 8618.58 3 13 13 85747.27 80508.31 517.83 0 0 12 475830.1 383754.3 3982.61 5 13 13 9077.14 8334.21 127.56 2 2 12 7016.85 7017.85 85.06 7 13 13 3163.08 2534.21 113.26 0 4 12 208.86 283.71 50.03 9 13 13 13942.18 15461.39 198.59 2 4 12 67675.15 68776.61 1044.71 11 13 13 6005.96 7082 141.64 4 4 12 118992.2 94233.91 598.17 13 13 13 38090.48 44553.3 683.46 2 6 12 9824.84 10166.92 177.32 0 2 14 65797.97 59672.24 2250.52 4 6 12 287.57 437.27 49.53 2 2 14 20287.41 24444.61 213.3 6 6 12 9850.3 8027.51 113.46 2 4 14 2460.28 2945.88 56.63 0 8 12 178168.1 171346.6 1335.39 4 4 14 393.29 990.54 70.75 2 8 12 3880.04 5516.35 60.09 0 6 14 8119.01 7562.66 226.82 4 8 12 190.97 501.72 56.6 2 6 14 174486.1 176337.2 686.53 6 8 12 16354.09 14083.29 674.6 4 6 14 45751.56 45738.73 222.38 8 8 12 210563.8 208260.6 1315.67 6 6 14 60955.13 60114.16 415.77 2 10 12 2381.15 3533.86 77.86 2 8 14 8175.6 8675.3 80.18 4 10 12 90.96 347.96 40.02 4 8 14 4593.09 5590.66 134.55 6 10 12 95412.45 96754.34 1039.4 6 8 14 148581.9 155381.9 1917.63 8 10 12 940.88 1226.28 74.55 8 8 14 285.23 665.05 99.05 10 10 12 148788.6 151513.4 1004.36 0 10 14 69090.6 74060.71 753.5 0 12 12 1252416 1559371 13199.87 2 10 14 771.01 1372.84 50.03 2 12 12 10046.09 8394.07 113.43 4 10 14 204.75 102.19 44.2 4 12 12 32833.16 25042.8 213.68 6 10 14 5777.62 8516.52 141.66 6 12 12 14383.47 15226.02 184.47 8 10 14 29780.18 28657.64 1437.23 8 12 12 3501.62 2633.55 113.27 10 10 14 754.06 1896.26 113.21 10 12 12 21940.44 23370.38 241.52 2 12 14 49958.09 45901.56 642.92 12 12 12 110985.8 108180.1 1370.46 4 12 14 802.43 1113.1 50.03 1 1 13 472.06 1938.7 70.76 6 12 14 5.82 188.66 74.54 1 3 13 302.98 1879.44 91.98 8 12 14 16637.31 15352.88 411.58 3 3 13 93392.67 93292.33 564.97 10 12 14 18938.72 19107.84 155.35 1 5 13 13483.55 12465.65 100.39 12 12 14 842.29 891.53 113.21 3 5 13 5356.56 3650.01 77.92 0 14 14 402.41 523.56 127.35 5 5 13 39752.76 34494.86 257.1 2 14 14 27220.88 27388.01 241.74 1 7 13 45229.04 42631.55 436.21 4 14 14 19955.67 15279.86 142.01 3 7 13 97253.7 95938.95 419.52 6 14 14 118029.1 121940 808.89 5 7 13 90083.41 90389.15 1349.95 8 14 14 1147.12 976.49 113.22 7 7 13 2259.34 3822.19 99.09 10 14 14 6077.34 6685.3 141.64 1 9 13 66503.5 68598 531.31 12 14 14 29945.99 29858.23 284.36 3 9 13 15755.82 13879.43 100.4 14 14 14 30936.28 40649.28 582.94

18 1 1 15 171.35 1188.59 70.75 8 8 16 109347.2 111832.4 822.83 1 3 15 17195.74 15069.16 213.09 2 10 16 460.58 1479.45 205.18 3 3 15 72726.91 92121.65 560.93 4 10 16 7554.6 6343.71 134.61 1 5 15 26032.62 25880.94 426.96 6 10 16 1665.26 2032.18 481.22 3 5 15 77006.18 74451.65 340.74 8 10 16 3484.77 3759.64 90.1 5 5 15 10921 12012.71 127.64 10 10 16 17895.18 19416.36 227.09 1 7 15 2919.79 6218.26 247.77 0 12 16 1004.52 1374.04 80.06 3 7 15 3856.13 3426 212.41 2 12 16 567.6 608.48 60.04 5 7 15 1684.95 3017.24 84.93 4 12 16 990.13 1009.76 70.76 7 7 15 1406 1316.25 56.61 6 12 16 4285.24 2966.22 141.6 1 9 15 19445.73 21151.05 419.07 8 12 16 27079.49 29084.13 334.06 3 9 15 250 1182.58 50.03 10 12 16 641.39 357.04 80.05 5 9 15 43330.17 41527.39 920.47 12 12 16 30629.33 34268.69 284.39 7 9 15 32519.46 33681.88 1224.46 2 14 16 16289.66 17621.81 319.26 9 9 15 5956.05 6600.87 141.65 4 14 16 3414.4 3082.47 268.99 1 11 15 25196.1 26926.41 206.17 6 14 16 3566.93 4007.91 90.1 3 11 15 25324.92 24637.28 156.4 8 14 16 2169.02 2307.16 84.63 5 11 15 2062.65 1627.57 113.24 10 14 16 3639.43 4258.51 134.5 7 11 15 55855.59 50586.27 993.47 12 14 16 470.16 431 90.05 9 11 15 11613.07 10653.59 241.04 14 14 16 24855.99 28177.93 269.85 11 11 15 523.63 2320.69 113.2 0 16 16 11151.65 10645.76 212.63 1 13 15 5092.85 5405.7 120.38 2 16 16 12450.42 12533.7 141.78 3 13 15 2765.51 2923.32 60.06 4 16 16 47084.98 43102.39 313.68 5 13 15 58770.04 52669.67 922.24 6 16 16 3188.5 3128.6 141.57 7 13 15 1229.26 2037.98 120.29 8 16 16 17378.39 17224.5 212.82 9 13 15 13925.6 13421.62 135.11 10 16 16 755.82 1018.87 141.51 11 13 15 33.73 129.84 84.6 12 16 16 6694.86 6203.65 169.96 13 13 15 341.86 933.9 127.35 14 16 16 191.59 70.75 141.5 1 15 15 1123.22 1103.86 84.91 1 1 17 143436.7 141937.1 801.41 3 15 15 16542.02 16006.12 156.09 1 3 17 6721.37 6816.06 80.15 5 15 15 16839.27 17751.66 212.85 3 3 17 5301.29 5439.25 99.15 7 15 15 12094.88 10066.34 155.96 1 5 17 14986.21 13857.23 105.02 9 15 15 20055.62 21236.68 241.33 3 5 17 12687.54 12265.43 163.13 11 15 15 3724.52 3029.74 127.42 5 5 17 423604.6 428964 2109.43 13 15 15 120.96 268.84 127.35 1 7 17 4179.92 4876.34 155.77 15 15 15 19485.79 21299.91 397.33 3 7 17 4808.35 7063.78 162.87 0 0 16 308553.2 332776.8 3365.8 5 7 17 187662.1 190353.2 3427.84 2 2 16 20519.57 26123.67 213.2 7 7 17 7552.59 8473.16 127.52 0 4 16 75515.43 72995.59 457.22 1 9 17 10003.04 12004.08 219.73 2 4 16 2076.23 2492.67 60.06 3 9 17 78577.24 75003.88 334.55 4 4 16 2919.24 30000.83 297.32 5 9 17 2142.4 3879.26 70.06 2 6 16 10695.22 17117.42 638.14 7 9 17 37744.95 38217.1 277.78 4 6 16 137.88 128.36 77.82 9 9 17 23883.61 24168.15 269.96 6 6 16 772035.6 831404.2 3901.33 1 11 17 3183.03 3673.87 70.08 0 8 16 1413.36 2113.64 84.63 3 11 17 1843.22 2856.44 198.16 2 8 16 4569.45 4080.7 64.52 5 11 17 33290.06 29099.37 1195.54 4 8 16 35444.43 36693.5 940.38 7 11 17 24391.42 27866.93 674.93 6 8 16 11005.81 9969.56 84.78 9 11 17 3416.81 3882.44 113.26

h k l Fcal^2 Fobs^2 (Fobs^2) h k l Fcal^2 Fobs^2 (Fobs^2) 19 11 11 17 15922.01 16853.08 198.61 2 14 18 117.24 736.05 70.04 1 13 17 8796.85 9570.44 325.93 4 14 18 23487.36 25594.11 553.93 3 13 17 4052.72 6017.67 80.1 6 14 18 7108.23 6409.93 100.16 5 13 17 13321.29 11012.31 439.62 8 14 18 12815.8 17738.41 184.31 7 13 17 830.39 459.75 141.51 10 14 18 6385.13 6290.07 233.69 9 13 17 10.39 395.75 84.6 12 14 18 1671.04 1418.53 104.72 11 13 17 5790.52 5602.66 247.84 14 14 18 10394.17 10925.7 184.22 13 13 17 27607.57 31686.48 284.18 2 16 18 5405.77 5064.35 92.05 1 15 17 926.08 1163.18 70.05 4 16 18 183.3 346.27 80.04 3 15 17 1501.57 1237.32 64.47 6 16 18 64784.77 61448.46 657.36 5 15 17 25022.41 23733.34 180.82 8 16 18 153.92 117.67 94.66 7 15 17 2995.06 4517.38 100.1 10 16 18 1080.42 1028.38 100.07 9 15 17 12320.74 11448.1 120.29 12 16 18 474.16 209.56 104.7 11 15 17 5540.47 5758.8 104.78 0 18 18 3315.98 2774.65 184.03 13 15 17 364.23 615.61 100.06 2 18 18 1139.41 1202.89 113.21 15 15 17 416.17 297.15 169.8 4 18 18 5537.54 4248.32 155.77 1 17 17 2676.05 2010.05 127.4 6 18 18 6613.57 8568.74 184.12 3 17 17 9.28 650.87 99.04 8 18 18 3662.42 3935.61 155.73 5 17 17 101943.9 103754.8 661.13 10 18 18 7912.17 7975.14 184.15 7 17 17 28314.83 26687.73 270 1 1 19 79941.02 78830.78 517.11 9 17 17 5683.57 5947.79 155.78 1 3 19 308.31 432.05 60.03 11 17 17 4602.33 5252.95 155.75 3 3 19 6953.65 6871.36 113.34 13 17 17 615.25 523.57 226.41 1 5 19 378.64 537.33 84.9 0 2 18 729.39 1064.73 84.61 3 5 19 17665.59 18691.48 248.42 2 2 18 75797.35 69909.99 459.56 5 5 19 48.14 523.53 84.9 2 4 18 9147.74 13089.3 283.49 1 7 19 14867.15 15741.66 120.38 4 4 18 60885.32 53164.57 357.87 3 7 19 32558.67 34276.29 362.92 0 6 18 42821.5 42692.75 307.53 5 7 19 13839.31 15548.06 170.21 2 6 18 2423.39 2755.06 155.71 7 7 19 1053.66 1287.82 84.91 4 6 18 32609.76 29974.15 181.19 1 9 19 34140.03 29455.5 434.14 6 6 18 17603.59 18822.76 184.54 3 9 19 59.43 274.28 64.46 2 8 18 31302.07 35244.05 526.55 5 9 19 9221.84 8826.05 191.32 4 8 18 40.9 481.49 60.03 7 9 19 25.72 380.38 64.46 6 8 18 34.84 205.81 54.35 9 9 19 7289.73 7550.6 155.83 8 8 18 7677.44 6673.23 127.51 1 11 19 498.96 514.1 64.46 0 10 18 1269.87 2053.69 94.68 3 11 19 10492.44 10782.96 191.35 2 10 18 20.6 2547.06 74.54 5 11 19 1623.93 1288.35 64.47 4 10 18 380.01 1453.19 63.68 7 11 19 616.05 652.41 120.28 6 10 18 2938.85 3010.79 169.88 9 11 19 629.54 1182.64 90.05 8 10 18 1808.94 1811.66 80.06 11 11 19 6555.64 6741.93 155.8 10 10 18 10043.66 9764.94 155.9 1 13 19 2103.76 2375.55 106.16 2 12 18 975.49 744.11 64.47 3 13 19 451.01 1074.02 77.83 4 12 18 13590.63 11208.32 99.27 5 13 19 1.17 286.52 84.9 6 12 18 8193.25 9264.81 531.32 7 13 19 1681.57 2007.72 155.68 8 12 18 7234.49 8485.81 110.19 9 13 19 703.36 1002.95 94.66 10 12 18 0.34 56.6 80.04 11 13 19 16049.84 15343 191.48 12 12 18 343.4 764.1 127.35 13 13 19 12535.4 12842.98 198.46 0 14 18 4310.17 3477.28 100.12 1 15 19 10391.81 9757.36 283.45

h k l Fcal^2 Fobs^2 (Fobs^2) h k l Fcal^2 Fobs^2 (Fobs^2) 20 3 15 19 12038.37 11397.13 489.07 6 16 20 33.27 123.62 94.65 5 15 19 10162.47 11005.72 673.15 8 16 20 455.67 939.51 114.74 7 15 19 2634.42 2707.23 100.09 10 16 20 622.73 651.84 152.93 9 15 19 521.61 325.46 100.06 2 18 20 4257.09 3180.89 375.19 11 15 19 4977.56 4958.73 375.23 4 18 20 473.93 487.26 114.74 13 15 19 2861.76 3045.7 134.85 1 1 21 13597.86 15119.18 170.2 1 17 19 46.33 87.02 98.56 1 3 21 11766.28 9268.41 163.05 3 17 19 9432.4 8838.17 177.12 3 3 21 24813.06 24611.81 227.36 5 17 19 2874.45 2134.72 155.71 1 5 21 43437.05 42496.76 256.59 7 17 19 3113.86 2820.23 104.74 3 5 21 249.19 242.19 70.75 9 17 19 13.07 91.97 100.05 5 5 21 13444.37 14096.26 155.99 1 19 19 361.09 311.3 240.55 1 7 21 5725.13 5217.5 169.96 3 19 19 802.6 764.15 141.51 3 7 21 16391.95 14520.26 432.74 5 19 19 137.65 495.23 268.84 5 7 21 1389.38 2069.76 84.92 0 0 20 22200.21 19491.8 383.59 7 7 21 1441.81 2207.8 99.07 2 2 20 31623.06 29756.08 241.92 1 9 21 21635.91 20791 241.39 0 4 20 223.16 452.31 94.66 3 9 21 1569.93 1917.22 84.92 2 4 20 4207.73 3230.71 84.96 5 9 21 6383.26 5900.28 80.12 4 4 20 13188.65 16111.23 170.19 7 9 21 2411.36 2335.61 80.07 2 6 20 51165.05 52058.05 1192.09 9 9 21 14915.76 16337.82 198.55 4 6 20 760.05 903.11 63.68 1 11 21 71788.99 73708.7 1738.78 6 6 20 4845.56 5763.54 113.29 3 11 21 34096.74 32871.09 554.81 0 8 20 218045.8 216722.5 7879.18 5 11 21 11.99 644.49 80.04 2 8 20 38.69 328.2 64.46 7 11 21 3198.14 3964.21 104.75 4 8 20 33374.61 35938.36 540.72 9 11 21 342.17 233.47 100.06 6 8 20 2858.59 2378.21 70.07 11 11 21 31933.28 34830.35 312.76 8 8 20 12075.5 11597.01 141.77 1 13 21 1542.52 1528.62 80.06 2 10 20 17525.44 17388.73 411.53 3 13 21 20522.48 18920.48 135.22 4 10 20 1839.35 1629.63 70.06 5 13 21 143.42 516.95 94.66 6 10 20 6166.3 6544.11 141.63 7 13 21 10509.74 9893 124.96 8 10 20 369.24 544.87 80.05 9 13 21 412.68 552.76 114.74 10 10 20 5064.86 4927.84 155.77 11 13 21 69 86.24 104.7 0 12 20 17363.41 14848.87 170.56 1 15 21 7522.9 7246.09 100.16 2 12 20 3531.95 3942.93 80.09 3 15 21 1023.83 1307.31 261.8 4 12 20 24684.05 24769.89 163.36 5 15 21 8823.01 8214.39 255.02 6 12 20 41.82 49.52 90.05 7 15 21 206.13 2.72 125.51 8 12 20 264.08 405.51 94.66 9 15 21 3629.07 3475.65 453.01 10 12 20 71.49 229.76 104.7 1 17 21 7.12 247.61 110.06 12 12 20 7964.59 6573.03 169.99 3 17 21 5438.29 3193.02 488.53 2 14 20 14616.87 13345.37 110.31 5 17 21 1559.25 1430.81 149.11 4 14 20 464.11 412.5 84.61 0 2 22 24766.56 27274.63 255.75 6 14 20 25686.53 26485.97 180.8 2 2 22 306.18 523.55 99.05 8 14 20 1910.46 1295.38 100.08 2 4 22 12490.58 10868.06 100.26 10 14 20 19352.83 16758.01 135.18 4 4 22 11163.11 9341.58 141.75 12 14 20 99.81 144.47 94.65 0 6 22 68575.07 66213.97 424.94 0 16 20 14688.54 12550.14 160.44 2 6 22 19953.92 19271.53 134.86 2 16 20 1225.58 863.26 84.62 4 6 22 11055.53 12419.39 141.75 4 16 20 27161.09 25110.57 170.78 6 6 22 27219.48 29345.85 213.17

22 2 8 22 14308.03 13337.26 115 2 2 24 38342.13 39216.41 284.69 4 8 22 3143.75 2168.87 74.58 0 4 24 822.03 574.89 110.07 6 8 22 589.11 1113.85 74.55 2 4 24 1593.73 1160.79 91.99 8 8 22 1503.98 1627.54 113.22 4 4 24 4401.26 4162.73 127.43 0 10 22 163612.3 164915.8 820.81 2 6 24 6576.8 6274.53 100.15 2 10 22 15316.54 16130.06 241.12 4 6 24 438.64 734.42 84.61 4 10 22 3444.45 3100.36 80.08 6 6 24 366.43 1146.15 127.35 6 10 22 1277.48 1292.77 84.62 0 8 24 2120.5 2192.06 124.8 8 10 22 11155.68 11324.84 120.26 2 8 24 43.91 80.73 84.6 10 10 22 2633.13 3383 155.7 4 8 24 1979.67 1514.42 84.63 2 12 22 1726.74 2725.05 84.62 6 8 24 32.73 70.75 90.05 4 12 22 48.33 113.19 84.6 8 8 24 61.86 169.79 155.64 6 12 22 10150.18 10398.33 119 2 10 24 143.31 644.5 90.05 8 12 22 118.22 191.02 134.42 4 10 24 88.01 70.75 100.05 10 12 22 43532.68 44541.6 355.97 6 10 24 5434.42 4769.59 108.78 0 14 22 7698.47 6493.34 198.32 8 10 24 304.39 304.22 110.06 2 14 22 5286.93 5886.72 134.52 0 12 24 11061.03 8487.78 169.48 4 14 22 3154.4 3363.15 104.74 2 12 24 1155.8 1832.86 112.17 6 14 22 11867.22 11265.68 127.57 4 12 24 302.74 256.54 120.27 8 14 22 3102.21 2456.51 130.12 6 12 24 1055.2 1338.9 154.86 2 16 22 1773.74 1512.6 183.99 1 1 25 803.67 1245.29 127.36 4 16 22 53.49 -96.91 297.14 1 3 25 13005.58 11866.5 120.3 1 1 23 33410.2 30800.25 241.85 3 3 25 443.62 438.66 127.35 1 3 23 6747.81 5773.2 90.14 1 5 25 4.42 374.96 90.05 3 3 23 16648.07 16329.62 170.25 3 5 25 16900.75 15473.75 120.58 1 5 23 8900.04 8778.29 100.19 5 5 25 5058.14 5763.11 141.6 3 5 23 576.04 387.64 74.55 1 7 25 5.62 -96.4 96.4 5 5 23 100.59 169.79 113.2 3 7 25 1104.89 2011.12 90.06 1 7 23 4611.43 3887.13 90.11 5 7 25 431.58 179.48 94.66 3 7 23 21237.02 19373.68 163.26 7 7 25 13303.08 12518.08 155.94 5 7 23 9509.96 9192.81 177.13 1 9 25 4456.49 4228.51 169.9 7 7 23 739.45 1245.28 127.36 3 9 25 1431.52 923.24 148.6 1 9 23 6812.92 6731.09 94.75 5 9 25 6092.42 5486.66 127.46 3 9 23 7815.4 7996.9 100.17 7 9 25 10808.66 8888.65 170.06 5 9 23 23.93 254.69 80.04 1 11 25 1266.97 2157.23 142.78 7 9 23 2421.16 3595.73 110.1 3 11 25 3747.23 3104.68 189.41 9 9 23 12165.07 12629.75 198.45 0 2 26 3915.99 2846.07 144.9 1 11 23 51522.38 49647.19 598.89 2 2 26 8023.96 7338.08 155.83 3 11 23 7.53 446.71 90.05 2 4 26 3591.44 3555.51 104.75 5 11 23 5443.93 5810.75 127.45 4 4 26 230.19 665.04 141.5 7 11 23 254.89 169.8 100.05 0 6 26 4769.97 3903.17 185.02 9 11 23 309.71 601.31 104.7 2 6 26 6970.57 6803.97 114.85 1 13 23 323.57 561.63 94.66 4 6 26 188.25 1309.3 110.06 3 13 23 399.34 261.78 90.05 6 6 26 8752.94 6984.41 170.01 5 13 23 4734.29 5123.27 114.81 2 8 26 91.94 173.06 125.51 7 13 23 65.6 153.87 118.82 4 8 26 634.57 359.7 154.85 1 15 23 11.57 87.47 108.7 1 1 27 1278.25 764.2 183.97 0 0 24 115824.2 106121.5 1181.37 1 3 27 1809.99 1490.32 114.76

24 3 3 27 4725.42 5592.78 169.91 1 5 27 234.62 346.39 169.8