data_2300478 _cell_angle_alpha 90.000 _cell_angle_beta 108.872 _cell_angle_gamma 90.000 _cell_length_a 15.5844 _cell_length_b 16.1120 _cell_length_c 20.4375 _exptl_crystal_F_000 2256.00 _reflns_d_resolution_high 0.7670 _[local]_cod_data_source_file kk5175Sn4sup21.hkl _[local]_cod_data_source_block Sn4 _shelx_title ' C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 884.17 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 4 0 0 154036.77 168576.83 1781.11 o 6 0 0 3598.18 3494.61 255.64 o 8 0 0 34785.32 34894.36 823.89 o 10 0 0 18635.37 18773.08 532.09 o 12 0 0 16300.20 15904.59 1205.27 o 14 0 0 6612.69 6983.63 731.85 o 16 0 0 11090.40 7406.19 1441.09 o 18 0 0 1703.78 327.28 431.18 o 3 1 0 11132.32 10436.63 245.20 o 5 1 0 50908.04 50643.96 586.86 o 7 1 0 58626.11 55838.84 980.72 o 9 1 0 4207.82 3552.67 161.06 o 11 1 0 91.33 16.42 72.02 o 13 1 0 5662.65 5804.95 385.67 o 15 1 0 6823.14 8460.82 985.72 o 17 1 0 16585.94 17304.84 1530.81 o 19 1 0 3094.19 2114.81 658.10 o 2 2 0 20572.83 18558.03 609.10 o 4 2 0 15859.35 14479.12 290.39 o 6 2 0 648.33 565.33 78.29 o 8 2 0 9541.40 8874.69 259.32 o 10 2 0 9006.95 9026.58 394.98 o 12 2 0 2264.63 1896.98 170.23 o 14 2 0 199.95 77.05 170.03 o 16 2 0 266.07 288.47 918.61 o 18 2 0 292.73 143.88 227.04 o 1 3 0 6800.41 6269.42 163.07 o 3 3 0 52.52 77.31 32.52 o 5 3 0 9883.03 9378.40 246.99 o 7 3 0 13027.40 11757.42 322.29 o 9 3 0 71.43 40.18 55.72 o 11 3 0 316.32 193.80 75.68 o 13 3 0 282.81 252.38 77.29 o 15 3 0 4482.50 3886.91 714.17 o 17 3 0 3044.26 3189.49 726.21 o 19 3 0 1.89 -463.48 463.48 o 0 4 0 384023.06 359373.56 3556.83 o 2 4 0 92582.78 91122.00 948.62 o 4 4 0 1160.04 1024.18 94.40 o 6 4 0 297.80 199.12 58.64 o 8 4 0 25563.21 26045.98 618.38 o 10 4 0 22979.04 21918.46 749.95 o 12 4 0 10083.38 9824.08 340.98 o 14 4 0 14559.86 14833.04 1093.01 o 16 4 0 87.30 -123.02 216.53 o 18 4 0 2216.26 1826.99 525.25 o 1 5 0 8811.88 10407.35 276.05 o 3 5 0 144.95 92.75 29.81 o 5 5 0 139380.89 145229.16 1080.84 o 7 5 0 75971.79 77028.85 776.33 o 9 5 0 7582.56 7010.11 307.91 o 11 5 0 0.86 16.14 48.22 o 13 5 0 11199.46 11827.85 620.06 o 15 5 0 20219.89 21205.58 1881.60 o 17 5 0 15898.61 16959.98 1532.88 o 0 6 0 291179.63 291157.19 1987.46 o 2 6 0 72088.00 73300.55 640.68 o 4 6 0 16575.48 17553.54 319.51 o 6 6 0 1233.59 1013.88 89.76 o 8 6 0 48155.87 50487.25 643.60 o 10 6 0 21907.70 23429.47 532.21 o 12 6 0 11318.14 11508.27 601.47 o 14 6 0 4419.41 4767.79 605.64 o 16 6 0 11.48 -156.42 304.35 o 18 6 0 74.11 -320.79 320.79 o 1 7 0 176.22 70.46 41.97 o 3 7 0 1824.87 1705.82 121.28 o 5 7 0 4656.37 4065.54 171.39 o 7 7 0 6302.85 5696.71 197.42 o 9 7 0 2176.86 1885.22 104.23 o 11 7 0 180.92 92.16 49.94 o 13 7 0 1366.50 1310.81 201.95 o 15 7 0 4310.49 4481.89 464.64 o 17 7 0 1555.02 670.80 315.45 o 0 8 0 17638.65 17135.54 566.92 o 2 8 0 2131.23 1852.49 148.67 o 4 8 0 337.93 293.27 50.62 o 6 8 0 87.29 152.10 51.24 o 8 8 0 2240.25 2062.90 151.66 o 10 8 0 1459.40 1204.35 115.77 o 12 8 0 2001.13 1861.41 204.31 o 14 8 0 740.09 608.14 210.71 o 16 8 0 51.04 -328.97 328.97 o 1 9 0 163.86 140.94 61.42 o 3 9 0 1380.44 1170.91 112.25 o 5 9 0 42313.50 42922.84 525.61 o 7 9 0 32611.84 32054.19 599.78 o 9 9 0 3751.48 3473.22 197.12 o 11 9 0 109.46 45.07 53.69 o 13 9 0 5772.13 5869.73 480.67 o 15 9 0 10244.49 11121.89 943.89 o 17 9 0 8268.40 8133.85 862.07 o 0 10 0 277917.78 278469.78 2487.64 o 2 10 0 76924.00 77685.52 1171.47 o 4 10 0 645.87 903.81 93.42 o 6 10 0 5289.11 5253.44 199.54 o 8 10 0 30944.38 31982.31 662.09 o 10 10 0 19323.82 21578.82 464.72 o 12 10 0 6187.25 6813.39 422.56 o 14 10 0 9963.55 9395.31 632.32 o 16 10 0 846.94 1128.35 460.48 o 1 11 0 71.85 -22.19 62.08 o 3 11 0 19289.14 18119.87 656.89 o 5 11 0 19870.59 18743.55 631.82 o 7 11 0 23878.02 23190.23 623.93 o 9 11 0 5941.92 5928.31 308.58 o 11 11 0 447.12 305.76 126.50 o 13 11 0 394.87 510.22 205.22 o 15 11 0 15289.59 14268.37 956.73 o 0 12 0 14356.03 12835.09 532.62 o 2 12 0 10439.39 9957.27 399.29 o 4 12 0 2453.51 2068.82 170.58 o 6 12 0 203.10 227.00 85.09 o 8 12 0 6471.10 6392.84 353.94 o 10 12 0 3703.53 3514.87 299.28 o 12 12 0 483.07 394.99 161.94 o 14 12 0 1492.10 1045.97 291.16 o 1 13 0 0.90 -46.71 46.71 o 3 13 0 61.82 -7.29 63.64 o 5 13 0 1227.83 1034.28 121.79 o 7 13 0 5630.25 5635.84 321.31 o 9 13 0 689.24 250.38 219.21 o 11 13 0 204.93 137.55 172.56 o 13 13 0 718.42 329.89 316.20 o 15 13 0 501.76 554.49 356.69 o 0 14 0 106405.13 99300.59 3037.37 o 2 14 0 5801.70 5530.09 223.89 o 4 14 0 1396.23 1137.96 181.39 o 6 14 0 647.91 463.41 142.90 o 8 14 0 13247.55 12857.29 659.96 o 10 14 0 11504.74 11547.04 712.21 o 12 14 0 6138.78 6769.83 569.11 o 14 14 0 1408.21 1774.32 465.23 o 1 15 0 22212.57 23086.82 423.80 o 3 15 0 14396.25 14375.90 537.25 o 5 15 0 7695.19 8432.11 662.20 o 7 15 0 18487.42 19009.80 817.09 o 9 15 0 8073.97 8912.11 563.84 o 11 15 0 255.71 125.67 197.41 o 13 15 0 5424.02 5210.26 844.69 o 0 16 0 76856.02 74087.59 5396.71 o 2 16 0 32486.15 31445.23 1314.70 o 4 16 0 294.60 156.04 168.35 o 6 16 0 3686.42 4082.62 411.51 o 8 16 0 11469.82 12551.07 699.98 o 10 16 0 6855.37 7570.36 711.75 o 12 16 0 3867.85 3909.76 543.74 o 1 17 0 573.60 405.38 211.96 o 3 17 0 393.03 43.05 162.67 o 5 17 0 5701.52 5285.61 457.92 o 7 17 0 2822.95 2693.28 330.33 o 9 17 0 332.79 -124.04 319.98 o 11 17 0 8.47 86.51 233.66 o 0 18 0 925.26 924.00 542.58 o 2 18 0 955.04 739.21 212.99 o 4 18 0 78.79 55.34 168.60 o 6 18 0 181.01 51.80 166.01 o 8 18 0 992.28 1016.78 290.12 o 1 19 0 160.57 196.67 186.21 o 3 19 0 1783.46 1778.96 321.33 o 5 19 0 9640.09 10145.05 620.63 o 7 19 0 6160.57 5702.14 624.27 o 0 20 0 29634.81 26735.54 2361.97 o 2 20 0 16833.35 17233.56 1119.62 o 4 20 0 5960.98 5751.47 663.95 o -19 1 1 648.73 1182.16 1074.05 o -17 1 1 3360.70 3269.07 680.15 o -15 1 1 4704.19 4592.00 753.48 o -13 1 1 1187.45 1179.74 186.97 o -11 1 1 3557.79 3727.44 263.16 o -9 1 1 6112.45 5312.36 195.13 o -7 1 1 34608.38 33463.29 507.85 o -5 1 1 69195.62 66698.46 740.10 o -3 1 1 128.17 169.30 53.54 o 3 1 1 17888.06 16729.50 352.56 o 5 1 1 154.54 45.68 24.30 o 7 1 1 2999.30 2315.89 122.40 o 9 1 1 1664.73 1729.91 113.73 o 11 1 1 4.34 64.52 62.18 o 13 1 1 7222.97 7596.49 424.45 o 15 1 1 7928.88 7047.79 1723.26 o 17 1 1 7433.75 7461.78 1078.19 o -18 2 1 2552.30 2921.38 834.81 o -16 2 1 7774.99 7474.60 1323.40 o -14 2 1 35670.33 34173.23 936.63 o -12 2 1 13929.34 13601.03 344.84 o -10 2 1 19230.01 19894.93 442.18 o -8 2 1 11104.97 12064.29 406.24 o -6 2 1 32261.68 34561.16 473.88 o -4 2 1 107498.13 112437.52 1093.35 o -2 2 1 219071.75 217136.13 1918.76 o 2 2 1 89604.36 95539.59 882.47 o 4 2 1 9285.83 10154.28 205.49 o 6 2 1 21198.80 20361.15 324.69 o 8 2 1 66103.68 65109.50 1019.47 o 10 2 1 65335.80 66989.70 973.34 o 12 2 1 18507.25 19164.08 610.00 o 14 2 1 95.13 -179.80 179.80 o 16 2 1 14521.40 14269.31 1362.39 o 18 2 1 2040.62 1781.36 1292.39 o -19 3 1 4383.99 4174.50 1933.02 o -17 3 1 4865.18 6307.73 1119.59 o -15 3 1 28288.13 27958.71 1777.13 o -13 3 1 1120.64 966.35 133.47 o -11 3 1 2536.46 2995.67 195.05 o -9 3 1 52796.02 53680.04 900.86 o -7 3 1 167497.63 174837.13 1150.58 o -5 3 1 23604.29 22979.36 311.82 o -3 3 1 708.42 924.18 70.99 o -1 3 1 43892.91 47396.74 441.04 o 1 3 1 4779.01 5320.20 176.94 o 3 3 1 27737.08 28641.09 488.92 o 5 3 1 19432.51 18816.24 327.89 o 7 3 1 20314.18 19294.39 428.46 o 9 3 1 7606.11 7801.73 256.20 o 11 3 1 5704.78 5621.12 246.61 o 13 3 1 6066.03 6539.86 409.91 o 15 3 1 48205.60 47594.32 2622.96 o 17 3 1 15406.63 15321.68 1469.88 o -18 4 1 24.90 -109.16 854.79 o -16 4 1 1901.52 1502.90 474.28 o -14 4 1 21057.39 20689.29 1026.08 o -12 4 1 14870.24 13540.61 555.92 o -10 4 1 3382.38 3848.58 281.71 o -8 4 1 3207.79 3468.92 129.22 o -6 4 1 5306.98 5638.84 176.44 o -4 4 1 425.10 627.93 61.44 o -2 4 1 77020.27 72081.55 788.72 o 0 4 1 158156.45 144079.20 2978.66 o 2 4 1 14784.86 14435.36 288.27 o 4 4 1 1714.21 1536.41 99.08 o 6 4 1 9251.51 8593.03 250.38 o 8 4 1 46208.46 46175.59 684.46 o 10 4 1 19845.83 19101.41 607.59 o 12 4 1 417.88 502.70 133.03 o 14 4 1 994.44 743.28 220.28 o 16 4 1 303.61 137.77 369.27 o 18 4 1 5278.23 5659.98 921.73 o -17 5 1 533.69 601.16 1251.00 o -15 5 1 193.89 127.71 265.30 o -13 5 1 655.36 687.93 120.59 o -11 5 1 216.54 -24.55 88.20 o -9 5 1 258.24 242.40 50.15 o -7 5 1 374.53 364.52 69.91 o -5 5 1 265.77 248.49 56.95 o -3 5 1 207.73 173.21 37.18 o -1 5 1 0.06 -6.54 36.09 o 1 5 1 395.25 367.16 58.25 o 3 5 1 241.58 268.92 47.60 o 5 5 1 67.15 -20.03 51.29 o 7 5 1 234.56 238.31 70.83 o 9 5 1 35.28 30.36 74.73 o 11 5 1 69.48 -101.46 101.46 o 13 5 1 143.31 237.10 135.17 o 15 5 1 77.44 -314.89 314.89 o 17 5 1 263.29 -196.22 196.22 o -18 6 1 617.37 139.89 290.81 o -16 6 1 3144.97 3109.09 572.46 o -14 6 1 5538.29 5474.65 483.00 o -12 6 1 8413.48 8142.56 336.36 o -10 6 1 5058.41 4470.41 176.90 o -8 6 1 412.59 300.63 64.50 o -6 6 1 2332.06 2169.89 112.27 o -4 6 1 8326.14 8101.07 211.34 o -2 6 1 29322.09 28195.85 353.60 o 0 6 1 86794.65 79773.29 1239.15 o 2 6 1 16096.19 15746.89 353.32 o 4 6 1 761.66 767.47 68.99 o 6 6 1 7236.78 6862.82 206.83 o 8 6 1 39795.53 37016.02 757.85 o 10 6 1 11908.61 12083.37 442.55 o 12 6 1 1166.09 986.27 179.61 o 14 6 1 11.17 128.29 152.25 o 16 6 1 130.40 302.76 378.32 o 18 6 1 821.22 990.92 397.91 o -17 7 1 10136.80 9943.14 942.70 o -15 7 1 9734.73 10303.60 683.41 o -13 7 1 595.38 305.49 110.01 o -11 7 1 1881.22 1351.97 273.33 o -9 7 1 21126.72 21190.68 426.30 o -7 7 1 105759.41 107521.42 896.68 o -5 7 1 41806.61 41918.21 716.54 o -3 7 1 278.07 186.13 46.02 o -1 7 1 180.05 263.09 47.79 o 1 7 1 61023.70 61253.28 824.19 o 3 7 1 59521.07 62432.83 722.49 o 5 7 1 97.63 299.17 63.01 o 7 7 1 15204.51 14849.49 279.09 o 9 7 1 4315.63 4127.36 158.87 o 11 7 1 1724.14 1797.74 183.54 o 13 7 1 7879.68 8352.93 544.12 o 15 7 1 23124.67 22992.96 1335.22 o 17 7 1 16992.22 15869.76 1763.21 o -18 8 1 253.48 -15.23 301.42 o -16 8 1 13458.26 15416.40 1125.08 o -14 8 1 30932.68 32173.79 1096.81 o -12 8 1 17245.46 19007.89 398.51 o -10 8 1 4525.54 4940.82 250.25 o -8 8 1 795.48 578.60 80.96 o -6 8 1 3591.22 3590.44 153.22 o -4 8 1 17028.10 17118.81 326.80 o -2 8 1 102713.64 105075.55 1282.19 o 0 8 1 240408.89 250670.22 1759.00 o 2 8 1 9903.28 8522.61 203.78 o 4 8 1 5899.11 6379.61 254.01 o 6 8 1 3565.61 3103.85 162.62 o 8 8 1 44813.89 47340.01 832.58 o 10 8 1 41719.61 44414.45 652.97 o 12 8 1 15322.13 17058.46 525.45 o 14 8 1 16.80 -174.70 179.71 o 16 8 1 3389.85 2436.66 508.13 o -17 9 1 2760.87 3400.95 799.88 o -15 9 1 854.76 1226.28 277.09 o -13 9 1 1663.67 1697.65 326.57 o -11 9 1 454.03 345.51 89.88 o -9 9 1 9410.17 9269.46 297.62 o -7 9 1 30644.72 28965.33 481.14 o -5 9 1 29158.18 27926.65 488.96 o -3 9 1 56.90 63.17 60.44 o -1 9 1 4744.65 4387.83 186.28 o 1 9 1 5400.80 4919.65 185.14 o 3 9 1 6288.63 5519.88 224.93 o 5 9 1 9527.27 9017.65 287.68 o 7 9 1 2516.62 2117.66 132.89 o 9 9 1 75.59 47.60 55.67 o 11 9 1 29.35 -63.72 105.71 o 13 9 1 3043.29 3079.19 379.87 o 15 9 1 7876.51 8151.75 706.08 o 17 9 1 8120.01 8274.55 889.83 o -16 10 1 45.82 -311.90 516.17 o -14 10 1 10.04 -99.46 170.40 o -12 10 1 533.79 471.50 162.11 o -10 10 1 23.54 -75.54 75.54 o -8 10 1 188.24 80.43 67.52 o -6 10 1 81.03 61.60 57.36 o -4 10 1 18.29 4.75 38.47 o -2 10 1 1285.66 1069.15 87.40 o 0 10 1 1101.19 1054.04 94.25 o 2 10 1 126.27 222.02 56.44 o 4 10 1 4.39 -9.81 41.97 o 6 10 1 33.78 101.86 57.57 o 8 10 1 256.31 26.87 87.52 o 10 10 1 194.62 56.32 59.74 o 12 10 1 126.29 -98.32 138.89 o 14 10 1 8.86 277.96 172.91 o 16 10 1 33.72 -52.25 216.45 o -15 11 1 7286.15 6846.51 677.24 o -13 11 1 10.36 -127.90 127.90 o -11 11 1 740.28 683.55 126.32 o -9 11 1 6562.00 6732.10 332.18 o -7 11 1 15802.29 15126.03 428.13 o -5 11 1 6758.35 6331.68 237.54 o -3 11 1 6596.65 6161.02 319.40 o -1 11 1 2715.48 2528.26 158.03 o 1 11 1 6905.94 6106.76 202.32 o 3 11 1 14832.10 14039.97 515.74 o 5 11 1 4001.00 3528.60 207.15 o 7 11 1 1588.44 1138.77 177.73 o 9 11 1 67.81 -118.66 118.66 o 11 11 1 1926.12 1819.84 244.91 o 13 11 1 15.44 -162.81 162.81 o 15 11 1 8065.17 8210.04 889.23 o -16 12 1 2171.42 2543.98 886.78 o -14 12 1 26314.21 26478.60 1463.80 o -12 12 1 10756.58 13029.61 755.91 o -10 12 1 7105.12 7360.15 427.07 o -8 12 1 1384.26 1550.27 209.40 o -6 12 1 5168.29 5148.16 227.72 o -4 12 1 10912.68 10797.71 391.54 o -2 12 1 73633.71 75822.07 1049.07 o 0 12 1 36492.04 35296.06 680.10 o 2 12 1 30262.13 31670.37 619.26 o 4 12 1 510.56 372.18 75.57 o 6 12 1 12206.51 12984.85 458.17 o 8 12 1 32758.05 33171.04 791.14 o 10 12 1 32567.37 31734.29 821.73 o 12 12 1 6274.50 6778.45 453.09 o 14 12 1 707.09 1063.60 307.80 o -15 13 1 7486.11 8809.83 933.08 o -13 13 1 3062.62 3676.26 785.71 o -11 13 1 411.46 162.73 192.43 o -9 13 1 25046.60 26099.06 847.63 o -7 13 1 88199.68 89765.48 1221.14 o -5 13 1 26544.98 28305.10 754.16 o -3 13 1 11760.85 11259.24 459.24 o -1 13 1 6065.21 6026.99 242.73 o 1 13 1 46.38 45.71 35.89 o 3 13 1 9265.45 10121.87 432.08 o 5 13 1 23163.90 23524.85 763.79 o 7 13 1 11174.82 11791.33 460.09 o 9 13 1 1856.01 1530.28 223.80 o 11 13 1 378.40 219.15 177.52 o 13 13 1 16343.21 16015.89 949.76 o -14 14 1 10264.72 10502.36 1318.87 o -12 14 1 12854.10 12590.42 773.25 o -10 14 1 1815.87 1701.48 257.63 o -8 14 1 440.20 511.18 174.40 o -6 14 1 3149.18 2446.59 239.01 o -4 14 1 3703.50 3442.66 243.06 o -2 14 1 9639.12 9123.78 368.17 o 0 14 1 44443.72 43583.27 640.05 o 2 14 1 3185.22 3034.52 156.61 o 4 14 1 256.02 210.83 62.72 o 6 14 1 675.50 490.73 143.21 o 8 14 1 20240.99 21049.15 829.20 o 10 14 1 13890.29 14191.08 789.68 o 12 14 1 4119.96 3371.97 389.45 o 14 14 1 220.42 0.31 298.43 o -13 15 1 169.28 1170.57 510.52 o -11 15 1 0.98 -204.32 208.08 o -9 15 1 3.42 44.03 104.42 o -7 15 1 14.36 99.23 118.40 o -5 15 1 361.28 100.84 133.52 o -3 15 1 467.59 373.91 68.85 o -1 15 1 889.54 949.65 110.64 o 1 15 1 77.29 -62.27 78.88 o 3 15 1 21.25 0.15 67.20 o 5 15 1 62.62 -106.59 152.94 o 7 15 1 1.61 -128.93 138.42 o 9 15 1 235.62 296.32 208.25 o 11 15 1 94.21 -49.85 153.09 o 13 15 1 1.17 -308.63 308.63 o -12 16 1 2751.31 3221.31 900.94 o -10 16 1 508.13 269.82 276.81 o -8 16 1 597.11 219.81 181.24 o -6 16 1 130.03 234.65 132.91 o -4 16 1 3067.94 2824.23 424.38 o -2 16 1 15841.25 15328.46 1092.19 o 0 16 1 10392.87 10304.25 663.88 o 2 16 1 3024.14 2482.77 330.88 o 4 16 1 153.23 -10.34 177.12 o 6 16 1 1903.57 1886.32 283.83 o 8 16 1 4887.83 4208.36 418.77 o 10 16 1 6640.00 6462.19 664.13 o 12 16 1 1528.18 1362.46 303.22 o -11 17 1 209.45 317.87 310.03 o -9 17 1 5656.61 5820.70 872.38 o -7 17 1 42196.77 42653.76 1320.41 o -5 17 1 20076.47 20565.06 829.38 o -3 17 1 1298.75 1202.71 299.85 o -1 17 1 9714.44 9096.86 595.47 o 1 17 1 5083.06 5015.51 459.35 o 3 17 1 13641.15 14679.02 1010.52 o 5 17 1 5131.15 4840.06 480.13 o 7 17 1 1995.96 1488.20 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