#------------------------------------------------------------------------------ #$Date: 2012-01-03 14:54:16 +0200 (Tue, 03 Jan 2012) $ #$Revision: 31968 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/25/2232557.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_2232557_Fobs loop_ _publ_author_name 'Deng, Aixia' 'Teng, Mouyong' 'Xie, Qian' 'Yan, Nana' _publ_section_title ; Bis(chloroacetato-\k^2^O,O')bis(2-fluorobenzyl-\kC^1^)tin(IV) ; _journal_coeditor_code BH2395 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1905 _journal_volume 67 _journal_year 2011 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 93.760 _cell_angle_gamma 90.000 _cell_length_a 17.3841 _cell_length_b 5.0480 _cell_length_c 22.8079 _exptl_crystal_F_000 1032.00 _reflns_d_resolution_high 0.8403 _[local]_cod_data_source_file bh2395Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 100127c in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 500.76 _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' '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 2 0 0 41738.92 43314.32 612.90 o 4 0 0 19845.62 19921.31 223.40 o 6 0 0 5473.89 4981.51 131.03 o 8 0 0 6430.15 6222.57 247.62 o 10 0 0 11830.40 11254.82 366.32 o 12 0 0 2918.65 3114.25 163.70 o 14 0 0 4789.84 5357.81 222.18 o 16 0 0 2122.06 2623.59 267.30 o 18 0 0 1108.90 1166.60 202.47 o 20 0 0 1305.38 1645.25 245.69 o 1 1 0 29130.16 31489.88 233.63 o 3 1 0 10310.23 9883.39 166.59 o 5 1 0 1401.29 1183.51 46.94 o 7 1 0 28835.59 27625.64 286.00 o 9 1 0 3403.95 3286.24 97.32 o 11 1 0 4810.67 4789.51 128.91 o 13 1 0 3690.37 3312.60 215.80 o 15 1 0 3861.87 3720.95 163.46 o 17 1 0 1429.72 1461.58 113.07 o 19 1 0 1257.91 1377.65 156.15 o 0 2 0 3630.79 4069.33 193.30 o 2 2 0 11520.38 12243.01 169.09 o 4 2 0 9715.40 9978.72 137.52 o 6 2 0 4352.72 4310.98 116.24 o 8 2 0 12493.66 12353.07 248.42 o 10 2 0 105.86 78.16 39.34 o 12 2 0 1354.03 1426.34 105.51 o 14 2 0 1597.28 1631.50 116.49 o 16 2 0 626.79 578.88 77.70 o 18 2 0 554.99 646.22 91.64 o 1 3 0 5008.10 4999.15 190.57 o 3 3 0 370.45 320.17 41.55 o 5 3 0 888.94 884.56 54.69 o 7 3 0 15.76 79.62 41.56 o 9 3 0 308.66 149.12 60.58 o 11 3 0 71.73 80.56 58.89 o 13 3 0 3.99 66.49 54.32 o 15 3 0 268.42 300.73 66.97 o 17 3 0 14.54 94.10 67.22 o 0 4 0 6.63 60.98 67.49 o 2 4 0 139.99 161.12 70.04 o 4 4 0 466.10 465.58 87.25 o 6 4 0 957.08 921.13 109.98 o 8 4 0 1710.44 1547.82 196.85 o 10 4 0 256.94 325.13 82.27 o 12 4 0 125.27 28.11 63.41 o 14 4 0 16.98 70.97 67.09 o 1 5 0 1235.45 1322.94 154.82 o 3 5 0 97.29 105.78 76.50 o 5 5 0 211.93 278.89 115.74 o 7 5 0 596.46 531.91 103.09 o 9 5 0 918.72 883.82 126.12 o 11 5 0 674.26 738.51 119.75 o 0 6 0 2483.83 2464.03 291.58 o -19 1 1 126.88 196.69 102.72 o -17 1 1 234.87 309.55 88.88 o -15 1 1 1253.24 1168.50 98.50 o -13 1 1 205.82 184.81 53.29 o -11 1 1 656.19 599.13 61.95 o -9 1 1 3707.33 3812.72 103.17 o -7 1 1 1431.47 1686.23 61.59 o -5 1 1 7079.48 7139.91 156.68 o -3 1 1 16679.03 17794.07 220.59 o -1 1 1 46762.00 49216.53 387.16 o 1 1 1 33958.36 33884.75 241.79 o 3 1 1 30002.36 31486.47 255.84 o 5 1 1 58007.80 58056.66 600.59 o 7 1 1 527.97 544.69 44.37 o 9 1 1 398.22 394.80 43.70 o 11 1 1 513.74 509.01 54.20 o 13 1 1 678.11 681.75 66.16 o 15 1 1 1199.02 1357.28 105.00 o 17 1 1 82.56 196.69 66.29 o 19 1 1 128.70 119.39 122.70 o -18 2 1 573.29 534.68 85.64 o -16 2 1 2031.21 2018.01 134.64 o -14 2 1 3179.00 3071.49 156.26 o -12 2 1 4578.62 4537.80 175.01 o -10 2 1 1059.39 1101.19 72.02 o -8 2 1 10858.72 11050.55 284.34 o -6 2 1 5579.79 5500.47 126.13 o -4 2 1 5333.65 5100.20 101.63 o -2 2 1 20806.96 20552.06 233.43 o 0 2 1 351.38 217.28 55.06 o 2 2 1 5302.54 4672.27 155.98 o 4 2 1 1255.28 1360.43 52.21 o 6 2 1 17501.33 18261.34 200.62 o 8 2 1 3197.54 3007.91 111.14 o 10 2 1 1163.38 1124.01 68.99 o 12 2 1 2956.50 3165.40 146.81 o 14 2 1 3340.31 3312.19 157.14 o 16 2 1 1091.59 1169.48 108.44 o 18 2 1 650.87 775.85 99.39 o -17 3 1 749.18 847.99 103.92 o -15 3 1 1929.26 1781.58 177.39 o -13 3 1 3307.28 3295.50 202.87 o -11 3 1 927.95 1161.27 190.19 o -9 3 1 4709.92 4625.37 213.29 o -7 3 1 5886.82 6069.99 136.57 o -5 3 1 11568.87 11487.21 214.31 o -3 3 1 17972.05 17335.74 283.37 o -1 3 1 20129.00 20226.37 380.21 o 1 3 1 8583.92 8432.83 242.46 o 3 3 1 11531.02 11484.91 239.92 o 5 3 1 8903.35 9144.73 206.12 o 7 3 1 16753.04 17013.12 428.35 o 9 3 1 3908.00 4193.81 149.68 o 11 3 1 1726.39 1657.84 140.12 o 13 3 1 5032.17 4857.46 195.71 o 15 3 1 1073.55 1020.61 106.21 o 17 3 1 812.51 841.65 107.91 o -14 4 1 1431.44 1425.98 245.99 o -12 4 1 879.01 821.90 113.74 o -10 4 1 1931.68 1828.06 158.97 o -8 4 1 3370.55 3371.12 218.02 o -6 4 1 4574.28 4684.46 350.33 o -4 4 1 2881.84 2895.37 175.46 o -2 4 1 3379.46 3475.27 190.02 o 0 4 1 7643.02 8099.52 358.03 o 2 4 1 5351.53 5515.43 234.99 o 4 4 1 4037.16 4079.84 203.53 o 6 4 1 5870.92 5588.55 420.49 o 8 4 1 926.95 832.29 103.24 o 10 4 1 1869.65 1907.65 162.63 o 12 4 1 1067.17 998.16 123.36 o 14 4 1 2099.78 1996.88 192.56 o -11 5 1 446.32 511.51 112.52 o -9 5 1 883.35 907.39 123.25 o -7 5 1 489.67 530.93 102.02 o -5 5 1 433.31 447.45 94.71 o -3 5 1 378.76 417.14 85.13 o -1 5 1 3110.66 3311.46 251.47 o 1 5 1 2632.60 2953.83 200.27 o 3 5 1 2582.78 2562.59 291.13 o 5 5 1 2366.33 2216.82 181.47 o 7 5 1 770.34 881.91 152.89 o 9 5 1 252.77 288.93 88.39 o 11 5 1 139.35 218.03 91.21 o 0 6 1 293.87 484.71 114.10 o -20 0 2 809.68 1234.98 222.90 o -18 0 2 1095.93 1077.50 186.79 o -16 0 2 3132.19 4164.94 334.79 o -14 0 2 4984.87 5210.67 352.11 o -12 0 2 1418.16 1245.89 103.65 o -10 0 2 21029.62 20697.30 592.92 o -8 0 2 6582.16 6683.45 168.89 o -6 0 2 17304.77 17387.25 236.94 o -4 0 2 280.03 238.26 45.94 o 0 0 2 62046.24 59760.23 589.37 o 2 0 2 17007.25 17904.13 332.87 o 4 0 2 250760.77 222200.42 1143.80 o 6 0 2 76776.61 75854.47 1360.19 o 8 0 2 23176.21 24708.35 352.80 o 10 0 2 7720.33 8021.24 226.80 o 12 0 2 3096.87 3108.74 156.47 o 14 0 2 2669.54 2988.71 207.80 o 16 0 2 1744.48 2163.35 158.16 o 18 0 2 873.65 1178.73 192.11 o 20 0 2 1859.31 2065.30 261.38 o -19 1 2 816.49 956.39 131.43 o -17 1 2 2174.19 2153.43 174.40 o -15 1 2 3120.14 3214.39 154.68 o -13 1 2 5878.57 5684.05 187.87 o -11 1 2 8638.75 8275.35 163.29 o -9 1 2 14624.77 14480.61 218.47 o -7 1 2 11069.78 11131.50 145.03 o -5 1 2 465.29 528.03 30.51 o -3 1 2 57235.08 59014.00 378.98 o -1 1 2 32970.93 34964.91 384.68 o 1 1 2 33300.02 33196.66 820.86 o 3 1 2 67.58 65.59 29.55 o 5 1 2 23284.29 22984.69 208.59 o 7 1 2 11589.77 11258.26 187.82 o 9 1 2 6278.75 6361.05 138.62 o 11 1 2 3627.48 3674.36 117.99 o 13 1 2 3644.20 3633.78 127.04 o 15 1 2 1431.30 1495.06 108.58 o 17 1 2 1052.80 1129.06 101.16 o 19 1 2 1622.51 1837.88 172.87 o -18 2 2 474.13 479.02 106.33 o -16 2 2 397.15 419.29 73.60 o -14 2 2 1420.12 1409.34 113.27 o -12 2 2 2519.16 2689.35 298.68 o -10 2 2 4235.78 4193.43 148.66 o -8 2 2 3093.90 3466.73 94.18 o -6 2 2 8.65 19.14 22.91 o -4 2 2 1162.08 1124.51 60.72 o -2 2 2 24655.30 25378.25 270.59 o 0 2 2 16150.86 16763.16 225.94 o 2 2 2 17332.67 18378.40 319.88 o 4 2 2 870.13 878.42 41.63 o 6 2 2 6651.35 6607.60 188.47 o 8 2 2 7264.51 7075.59 167.10 o 10 2 2 315.38 270.98 45.60 o 12 2 2 5619.89 5286.51 150.66 o 14 2 2 402.68 511.13 78.80 o 16 2 2 554.74 592.22 95.56 o 18 2 2 535.67 552.06 87.20 o -17 3 2 114.61 121.15 68.88 o -15 3 2 342.65 426.75 78.78 o -13 3 2 11.78 67.69 63.70 o -11 3 2 138.30 65.98 67.92 o -9 3 2 0.42 92.43 57.60 o -7 3 2 5.30 82.16 41.36 o -5 3 2 1241.96 1125.73 78.07 o -3 3 2 12.94 47.13 39.86 o -1 3 2 678.27 732.06 146.38 o 1 3 2 1892.48 1818.81 118.62 o 3 3 2 1556.42 1607.02 73.10 o 5 3 2 6608.96 6535.74 284.39 o 7 3 2 211.18 192.52 46.72 o 9 3 2 122.72 139.73 47.28 o 11 3 2 45.71 62.85 43.91 o 13 3 2 50.75 105.69 56.47 o 15 3 2 146.64 184.62 62.55 o 17 3 2 0.33 -10.27 73.12 o -14 4 2 4.02 -3.04 70.45 o -12 4 2 47.26 101.39 79.33 o -10 4 2 106.83 133.91 105.09 o -8 4 2 162.10 209.18 73.27 o -6 4 2 147.69 149.58 72.05 o -4 4 2 852.14 818.04 106.53 o -2 4 2 2485.38 2363.03 158.67 o 0 4 2 1592.48 1483.05 187.38 o 2 4 2 375.24 346.07 80.78 o 4 4 2 239.10 231.32 67.96 o 6 4 2 73.91 186.98 74.09 o 8 4 2 471.06 292.07 58.58 o 10 4 2 358.91 436.18 90.13 o 12 4 2 755.50 661.98 89.77 o 14 4 2 48.13 147.96 101.98 o -11 5 2 555.86 537.16 119.31 o -9 5 2 801.54 755.49 118.11 o -7 5 2 833.69 799.36 124.84 o -5 5 2 936.26 1154.11 163.40 o -3 5 2 638.02 616.40 102.02 o -1 5 2 1040.42 981.75 120.64 o 1 5 2 680.26 630.61 108.21 o 3 5 2 66.05 142.42 67.35 o 5 5 2 1038.53 971.56 127.92 o 7 5 2 193.42 269.70 81.51 o 9 5 2 411.91 441.62 99.82 o 11 5 2 253.47 249.54 118.11 o -19 1 3 46.40 51.75 65.12 o -17 1 3 392.37 384.17 91.51 o -15 1 3 1735.96 1895.81 122.83 o -13 1 3 155.12 217.45 55.59 o -11 1 3 1096.39 1366.82 85.36 o -9 1 3 339.41 469.57 63.05 o -7 1 3 211.32 191.84 26.37 o -5 1 3 16009.44 15179.62 142.14 o -3 1 3 5793.12 6295.90 115.92 o -1 1 3 2957.43 3005.13 73.71 o 1 1 3 6031.48 6379.70 99.79 o 3 1 3 11479.08 12862.60 138.26 o 5 1 3 32051.67 32305.82 258.62 o 7 1 3 8875.75 8388.47 142.36 o 9 1 3 7819.76 7872.21 194.40 o 11 1 3 1293.81 1370.75 77.94 o 13 1 3 486.12 632.16 66.33 o 15 1 3 824.43 830.99 81.73 o 17 1 3 1.61 19.36 56.22 o 19 1 3 323.40 461.21 105.47 o -18 2 3 795.62 873.10 129.26 o -16 2 3 1937.38 1865.82 132.74 o -14 2 3 2395.45 2270.82 134.98 o -12 2 3 3406.05 3441.10 192.63 o -10 2 3 4415.56 4620.37 159.53 o -8 2 3 16949.28 16834.48 199.25 o -6 2 3 3541.83 3202.46 110.06 o -4 2 3 13058.16 12886.34 202.44 o -2 2 3 7538.99 7337.01 146.61 o 0 2 3 4717.62 5251.86 130.95 o 2 2 3 11386.75 11339.73 266.05 o 4 2 3 10531.51 10324.66 201.73 o 6 2 3 2834.18 2826.10 103.16 o 8 2 3 875.93 824.09 56.47 o 10 2 3 1771.40 1662.72 82.90 o 12 2 3 4178.72 4487.48 141.85 o 14 2 3 1963.94 2002.51 125.71 o 16 2 3 361.02 450.88 80.58 o 18 2 3 867.09 905.05 130.88 o -17 3 3 613.35 697.54 97.22 o -15 3 3 1146.84 1302.85 151.90 o -13 3 3 1295.48 1309.53 139.46 o -11 3 3 2977.17 2925.01 184.29 o -9 3 3 6480.01 6252.50 185.65 o -7 3 3 7440.21 7440.76 191.22 o -5 3 3 2759.97 2604.73 177.52 o -3 3 3 7344.73 7333.94 172.84 o -1 3 3 9766.82 9857.40 267.45 o 1 3 3 13004.99 12952.12 441.36 o 3 3 3 24673.49 25283.56 342.21 o 5 3 3 12281.35 11883.84 268.76 o 7 3 3 9716.20 9345.24 216.56 o 9 3 3 514.97 462.48 61.21 o 11 3 3 7729.53 7715.35 233.67 o 13 3 3 3411.40 3491.56 167.65 o 15 3 3 1124.10 1232.55 142.56 o 17 3 3 838.44 932.18 136.87 o -14 4 3 1442.13 1757.15 259.01 o -12 4 3 2080.41 2491.86 278.25 o -10 4 3 2568.45 2732.49 193.69 o -8 4 3 2096.49 1825.71 159.40 o -6 4 3 2587.49 2435.79 167.57 o -4 4 3 5411.71 5243.02 234.63 o -2 4 3 3677.43 3894.37 146.97 o 0 4 3 5698.91 5972.94 251.67 o 2 4 3 1423.55 1413.38 128.03 o 4 4 3 9782.91 9702.97 309.89 o 6 4 3 5772.80 6314.75 239.28 o 8 4 3 1225.26 1259.11 98.75 o 10 4 3 2016.58 2188.33 168.72 o 12 4 3 1122.67 1057.42 104.41 o 14 4 3 1339.14 1251.11 151.34 o -11 5 3 795.74 779.32 128.19 o -9 5 3 950.53 947.30 131.27 o -7 5 3 1061.89 1194.34 142.70 o -5 5 3 940.47 976.32 137.20 o -3 5 3 918.88 960.04 122.41 o -1 5 3 941.82 954.57 125.27 o 1 5 3 298.57 389.58 91.36 o 3 5 3 2128.36 2016.34 170.33 o 5 5 3 2066.95 2024.33 459.86 o 7 5 3 1857.13 2205.91 256.65 o 9 5 3 816.87 910.65 198.48 o 11 5 3 594.94 465.63 134.10 o -20 0 4 511.64 608.90 182.05 o -18 0 4 686.74 846.31 178.79 o -16 0 4 2244.73 2254.46 256.35 o -14 0 4 3085.11 3338.17 278.85 o -12 0 4 9621.69 9774.36 280.03 o -10 0 4 22933.38 25875.85 905.81 o -8 0 4 301.09 388.64 49.77 o -6 0 4 6048.34 6008.52 181.31 o -4 0 4 18622.03 18423.72 255.96 o -2 0 4 58188.54 62157.25 708.63 o 0 0 4 11394.53 10618.67 163.70 o 2 0 4 4895.65 5699.45 93.03 o 4 0 4 14234.65 15472.59 207.14 o 6 0 4 48463.12 51807.66 479.44 o 8 0 4 34775.86 36843.94 535.64 o 10 0 4 36573.97 40562.53 525.94 o 12 0 4 6177.89 6718.17 312.59 o 14 0 4 3124.34 3627.92 189.68 o 16 0 4 1030.24 1153.68 122.53 o 18 0 4 1582.71 1663.90 216.68 o -19 1 4 608.79 478.40 97.84 o -17 1 4 1615.68 1450.47 153.06 o -15 1 4 2073.16 2052.96 123.31 o -13 1 4 6827.98 6750.10 203.01 o -11 1 4 10986.33 10999.64 317.74 o -9 1 4 20078.14 20189.29 209.46 o -7 1 4 8572.68 7931.30 102.43 o -5 1 4 12342.29 12568.17 417.57 o -3 1 4 18890.45 18582.90 207.88 o -1 1 4 12649.36 11972.56 122.20 o 1 1 4 12650.45 11969.85 178.94 o 3 1 4 27314.86 27191.74 234.61 o 5 1 4 20053.32 19907.23 197.73 o 7 1 4 7098.48 6589.08 128.38 o 9 1 4 8746.64 8084.92 158.73 o 11 1 4 4433.70 3934.93 122.47 o 13 1 4 3612.24 3530.84 126.75 o 15 1 4 358.78 392.26 56.71 o 17 1 4 2020.92 2219.90 207.17 o 19 1 4 879.29 974.48 173.47 o -18 2 4 434.14 480.93 112.51 o -16 2 4 304.66 327.83 71.41 o -14 2 4 552.21 689.74 107.71 o -12 2 4 1157.39 1200.86 100.36 o -10 2 4 2818.47 2964.37 132.41 o -8 2 4 10942.39 11163.81 344.71 o -6 2 4 6888.13 6424.13 158.57 o -4 2 4 3552.76 3776.13 113.48 o -2 2 4 2819.37 3010.22 97.48 o 0 2 4 1571.86 1505.13 70.41 o 2 2 4 16365.12 17036.86 292.76 o 4 2 4 12137.58 12492.66 199.79 o 6 2 4 15380.53 15737.07 212.16 o 8 2 4 1341.38 1355.53 71.43 o 10 2 4 2225.54 2105.59 92.83 o 12 2 4 2772.77 2920.14 118.28 o 14 2 4 170.12 191.43 61.33 o 16 2 4 1075.25 1155.81 135.02 o 18 2 4 451.61 589.61 114.37 o -17 3 4 23.86 26.65 54.65 o -15 3 4 34.76 104.04 73.14 o -13 3 4 190.71 129.50 62.27 o -11 3 4 912.96 911.15 84.50 o -9 3 4 419.23 433.12 62.56 o -7 3 4 50.80 80.33 39.40 o -5 3 4 39.49 73.97 35.66 o -3 3 4 144.88 176.43 37.73 o -1 3 4 781.21 769.71 110.86 o 1 3 4 67.30 57.49 46.41 o 3 3 4 234.44 231.93 63.04 o 5 3 4 3190.60 2979.07 120.92 o 7 3 4 392.99 306.29 55.34 o 9 3 4 1998.18 1762.18 93.18 o 11 3 4 295.33 401.74 57.18 o 13 3 4 79.20 103.22 52.02 o 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