#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/67/2226790.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_2226790_Fobs loop_ _publ_author_name 'Lo, Kong Mun' 'Ng, Seik Weng' _publ_section_title ; Dichloridobis(2-chlorobenzyl)tin(IV) ; _journal_coeditor_code BT5298 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m966 _journal_volume 66 _journal_year 2010 _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 112.154 _cell_angle_gamma 90.000 _cell_length_a 26.0750 _cell_length_b 4.7757 _cell_length_c 13.3389 _exptl_crystal_F_000 856.00 _reflns_d_resolution_high 0.7696 _[local]_cod_data_source_file bt5298Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 338.76 _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 38852.60 42733.97 1330.90 o 4 0 0 2137.70 2308.67 43.92 o 6 0 0 114759.41 117446.67 2799.99 o 8 0 0 8510.91 8440.99 152.59 o 10 0 0 3933.28 4001.86 77.36 o 12 0 0 18985.43 18210.19 325.70 o 14 0 0 3995.35 4025.30 80.64 o 16 0 0 205.00 281.02 20.38 o 18 0 0 10981.25 11006.21 204.68 o 20 0 0 12092.66 12443.14 263.52 o 22 0 0 13.62 -5.18 18.47 o 24 0 0 7795.57 8716.57 241.23 o 26 0 0 27357.73 29422.88 742.73 o 28 0 0 4651.69 5366.10 167.29 o 30 0 0 8230.70 9538.02 271.12 o 1 1 0 33099.35 33551.63 1280.58 o 3 1 0 3945.63 4173.13 163.23 o 5 1 0 3848.60 3147.89 49.82 o 7 1 0 48654.03 46467.72 662.60 o 9 1 0 9525.93 9424.71 140.10 o 11 1 0 28890.25 28156.45 405.63 o 13 1 0 56023.57 55098.79 787.54 o 15 1 0 7006.33 7146.29 111.68 o 17 1 0 24732.08 25059.50 365.91 o 19 1 0 30975.44 31586.74 459.23 o 21 1 0 716.55 826.07 29.41 o 23 1 0 4303.93 4581.45 89.02 o 25 1 0 9263.98 9745.31 169.50 o 27 1 0 1221.95 1430.71 46.81 o 29 1 0 1537.60 1568.25 57.30 o 0 2 0 42701.00 39788.70 1707.78 o 2 2 0 2861.91 2731.68 56.06 o 4 2 0 5982.49 5502.71 74.02 o 6 2 0 50625.72 47174.66 630.73 o 8 2 0 8727.87 7803.19 139.47 o 10 2 0 4699.87 4484.48 80.62 o 12 2 0 27259.52 26210.12 380.58 o 14 2 0 12822.35 12546.41 189.17 o 16 2 0 4055.99 3948.55 69.75 o 18 2 0 12154.32 11833.89 182.20 o 20 2 0 9173.67 9370.23 149.01 o 22 2 0 1864.00 1960.89 46.94 o 24 2 0 5697.50 5799.45 101.97 o 26 2 0 5068.78 5334.36 105.40 o 28 2 0 345.39 344.96 30.79 o 1 3 0 21268.41 19041.74 260.13 o 3 3 0 10813.88 10416.52 137.84 o 5 3 0 21302.84 20164.77 273.32 o 7 3 0 14549.87 13397.78 187.34 o 9 3 0 1640.35 1570.81 42.30 o 11 3 0 2621.40 2521.08 50.35 o 13 3 0 2677.30 2654.71 53.15 o 15 3 0 42.47 22.94 12.75 o 17 3 0 770.34 688.96 32.55 o 19 3 0 3978.47 3728.09 83.85 o 21 3 0 1004.69 937.42 34.98 o 23 3 0 4168.39 4275.21 82.74 o 25 3 0 6714.32 6989.15 122.91 o 27 3 0 1408.29 1396.46 50.62 o 0 4 0 1151.04 1013.78 68.64 o 2 4 0 7.66 17.96 19.12 o 4 4 0 79.92 43.02 29.32 o 6 4 0 6347.54 6302.71 105.63 o 8 4 0 3408.59 3217.88 57.28 o 10 4 0 3477.86 3310.30 64.47 o 12 4 0 10320.97 10100.08 160.56 o 14 4 0 3934.04 3757.09 72.55 o 16 4 0 2978.04 2875.09 61.49 o 18 4 0 7941.79 7666.50 130.19 o 20 4 0 3286.99 3279.24 75.66 o 22 4 0 805.67 859.21 39.91 o 1 5 0 2391.04 2682.39 115.42 o 3 5 0 216.56 579.36 83.40 o 5 5 0 1966.17 1952.34 132.31 o 7 5 0 3157.15 3269.09 72.28 o 9 5 0 1.52 17.07 17.72 o 11 5 0 284.49 261.24 24.14 o 13 5 0 1961.76 1996.15 55.44 o 15 5 0 54.44 82.32 20.93 o 17 5 0 62.49 69.29 21.45 o 0 6 0 1759.28 829.88 88.58 o 2 6 0 112.53 183.35 31.85 o 4 6 0 573.96 590.05 80.10 o 8 6 0 244.65 228.74 34.10 o -31 1 1 603.97 641.19 43.03 o -29 1 1 26.03 6.86 21.26 o -27 1 1 902.83 972.20 39.85 o -25 1 1 420.56 415.71 26.53 o -23 1 1 490.54 552.95 29.82 o -21 1 1 92.19 95.33 14.20 o -19 1 1 15.58 6.48 11.48 o -17 1 1 8.83 3.36 9.73 o -15 1 1 301.23 285.51 17.47 o -13 1 1 856.09 843.08 23.79 o -11 1 1 1445.26 1425.06 29.64 o -9 1 1 8160.52 8501.32 126.89 o -7 1 1 33280.56 34832.39 570.06 o -5 1 1 19602.25 19985.95 540.32 o -3 1 1 47.11 41.57 5.20 o -1 1 1 18922.51 20620.45 674.09 o 1 1 1 13159.33 13886.29 217.20 o 3 1 1 103.94 154.77 8.03 o 5 1 1 69.30 73.86 12.53 o 7 1 1 1.67 3.62 5.44 o 9 1 1 81.15 105.89 8.80 o 11 1 1 393.70 326.89 17.02 o 13 1 1 1357.99 1461.97 32.08 o 15 1 1 315.99 298.45 16.45 o 17 1 1 1.40 -1.51 11.10 o 19 1 1 3279.56 3392.89 63.08 o 21 1 1 2764.31 2772.32 56.07 o 23 1 1 436.42 441.65 28.24 o 25 1 1 2818.91 3047.60 68.95 o 27 1 1 2117.14 2182.84 64.93 o 29 1 1 493.53 508.14 36.69 o -30 2 1 5.91 -30.02 20.01 o -28 2 1 403.23 468.28 51.35 o -26 2 1 629.50 741.54 36.47 o -24 2 1 4007.84 4052.31 77.10 o -22 2 1 4598.58 4641.36 83.44 o -20 2 1 6619.65 6650.78 110.16 o -18 2 1 13683.38 13781.38 209.13 o -16 2 1 6300.92 6104.79 99.63 o -14 2 1 2720.24 2756.78 51.93 o -12 2 1 854.08 751.80 39.13 o -10 2 1 1677.26 1519.07 33.36 o -8 2 1 4717.53 5300.70 79.99 o -6 2 1 595.73 562.95 23.03 o -4 2 1 783.68 838.40 18.40 o -2 2 1 293.91 266.37 11.42 o 0 2 1 12.37 5.28 6.48 o 2 2 1 3346.48 3159.74 49.33 o 4 2 1 1734.99 1467.13 25.37 o 6 2 1 12191.36 11455.04 172.71 o 8 2 1 23918.11 22766.55 309.01 o 10 2 1 15116.77 14314.05 197.99 o 12 2 1 12688.28 12222.34 183.77 o 14 2 1 3362.76 3309.82 65.86 o 16 2 1 1760.88 1727.07 39.79 o 18 2 1 4059.91 4170.33 74.84 o 20 2 1 557.07 529.00 27.06 o 22 2 1 4.74 -8.15 15.09 o 24 2 1 14.64 2.60 16.29 o 26 2 1 7.27 -25.93 18.34 o 28 2 1 6.40 -24.93 19.87 o -27 3 1 1278.80 1343.56 48.27 o -25 3 1 1260.36 1340.85 42.97 o -23 3 1 939.68 967.56 36.01 o -21 3 1 1170.97 1178.21 37.38 o -19 3 1 1530.97 1449.74 39.68 o -17 3 1 1787.73 1769.66 42.94 o -15 3 1 679.85 765.56 28.89 o -13 3 1 1771.34 1697.53 39.75 o -11 3 1 8519.97 8050.66 117.54 o -9 3 1 5383.25 5199.59 94.11 o -7 3 1 7773.48 7420.50 117.26 o -5 3 1 16803.03 15945.29 238.79 o -3 3 1 7303.90 6407.27 114.66 o -1 3 1 8582.48 8016.10 108.21 o 1 3 1 10807.59 10200.93 169.77 o 3 3 1 3294.10 2943.09 50.15 o 5 3 1 1853.39 1769.96 38.19 o 7 3 1 6259.74 5996.28 97.72 o 9 3 1 4214.97 3913.43 67.51 o 11 3 1 57.50 49.75 12.43 o 13 3 1 1046.56 977.51 31.29 o 15 3 1 3566.35 3653.83 68.66 o 17 3 1 786.61 769.45 44.32 o 19 3 1 2765.38 2741.38 58.62 o 21 3 1 5128.31 5056.17 101.36 o 23 3 1 1721.36 1762.31 53.18 o 25 3 1 2886.93 3119.20 75.21 o -24 4 1 2067.48 2266.35 63.13 o -22 4 1 2130.65 2145.61 59.45 o -20 4 1 240.69 189.60 23.65 o -18 4 1 2301.62 2282.64 58.43 o -16 4 1 5458.20 5392.57 104.68 o -14 4 1 743.80 746.99 30.62 o -12 4 1 3441.17 3416.15 66.57 o -10 4 1 11227.48 11023.88 172.38 o -8 4 1 4130.42 4032.63 73.34 o -6 4 1 4954.58 4959.53 100.07 o -4 4 1 12777.32 12856.74 243.02 o -2 4 1 7809.72 8925.51 309.25 o 0 4 1 5357.35 6085.63 92.96 o 2 4 1 9082.85 9409.33 149.43 o 4 4 1 4409.61 4769.22 118.08 o 6 4 1 1419.35 1429.56 74.51 o 8 4 1 4581.31 4459.28 79.80 o 10 4 1 3567.57 3423.98 73.02 o 12 4 1 546.63 507.39 27.76 o 14 4 1 2764.47 2875.19 65.95 o 16 4 1 4067.93 4152.81 86.93 o 18 4 1 1948.00 2021.32 55.94 o 20 4 1 3015.28 2956.76 71.67 o 22 4 1 2708.06 2711.44 69.22 o -19 5 1 5288.68 5249.12 119.20 o -17 5 1 9984.42 10395.07 204.97 o -15 5 1 4650.54 4503.06 103.41 o -13 5 1 3282.35 3288.40 81.60 o -11 5 1 4392.34 4637.04 103.35 o -9 5 1 2318.07 2304.65 57.58 o -7 5 1 262.02 310.81 51.98 o -5 5 1 1113.62 1281.09 174.15 o -3 5 1 1130.78 1267.75 48.95 o -1 5 1 400.70 562.35 57.60 o 1 5 1 7088.30 8194.24 383.52 o 3 5 1 6432.71 7576.06 218.26 o 5 5 1 1142.51 1593.18 222.58 o 7 5 1 8353.04 8624.36 222.25 o 9 5 1 11686.99 11337.57 197.83 o 11 5 1 5177.57 4914.53 112.12 o 13 5 1 6906.22 6882.97 147.34 o 15 5 1 6649.44 6807.49 147.26 o 17 5 1 2689.15 2647.82 67.99 o -8 6 1 2568.46 2785.86 115.49 o -6 6 1 4551.63 5792.44 189.05 o -4 6 1 7040.69 8387.09 253.76 o -2 6 1 4583.29 5794.63 154.38 o 0 6 1 5286.96 6876.17 216.01 o 2 6 1 5936.43 6660.24 209.93 o 6 6 1 428.14 468.21 49.69 o -32 0 2 6172.55 6817.11 207.10 o -30 0 2 71.41 56.56 31.27 o -28 0 2 5422.40 5699.84 172.65 o -26 0 2 10991.52 11439.88 307.01 o -24 0 2 255.99 179.82 29.20 o -22 0 2 2423.11 2556.05 88.04 o -20 0 2 5738.34 5652.94 158.52 o -18 0 2 575.45 660.28 25.23 o -16 0 2 37813.50 38483.55 681.43 o -14 0 2 42116.48 41683.46 734.53 o -12 0 2 16338.87 16116.84 335.88 o -10 0 2 79803.41 76515.67 1566.78 o -8 0 2 98884.56 96516.70 1697.54 o -6 0 2 56676.76 56793.15 1167.28 o -4 0 2 13519.82 14642.27 1683.35 o -2 0 2 57658.18 68042.23 1954.32 o 0 0 2 58996.54 64909.27 1759.52 o 2 0 2 11686.74 11610.03 325.97 o 4 0 2 33660.77 34677.40 611.51 o 6 0 2 4053.17 4110.18 78.97 o 8 0 2 126.99 154.47 13.49 o 10 0 2 41973.78 43110.88 759.89 o 12 0 2 3588.26 3509.63 72.26 o 14 0 2 6829.80 6691.30 128.75 o 16 0 2 38031.52 38641.70 686.45 o 18 0 2 16358.21 16712.20 305.94 o 20 0 2 14413.70 15663.56 329.02 o 22 0 2 17284.14 18127.34 605.75 o 24 0 2 6930.05 7848.67 223.30 o 26 0 2 4538.54 5179.63 162.38 o 28 0 2 8256.16 8807.75 297.92 o -31 1 2 151.62 125.00 26.65 o -29 1 2 7413.84 8072.26 164.71 o -27 1 2 16683.96 17882.53 294.57 o -25 1 2 5476.59 6056.36 112.51 o -23 1 2 10016.49 10843.76 183.07 o -21 1 2 20598.22 20903.37 334.43 o -19 1 2 9431.88 9664.17 161.49 o -17 1 2 8125.58 7976.78 134.27 o -15 1 2 35970.38 35384.58 470.57 o -13 1 2 9369.54 9328.20 140.60 o -11 1 2 437.07 520.10 17.98 o -9 1 2 54778.76 54698.64 842.32 o -7 1 2 13498.20 13501.48 204.03 o -5 1 2 11580.88 12702.57 191.40 o -3 1 2 72199.06 70357.71 1010.63 o -1 1 2 48389.04 50177.46 668.23 o 1 1 2 12736.05 12631.66 269.13 o 3 1 2 90428.75 89057.33 1495.70 o 5 1 2 46213.00 45993.12 571.70 o 7 1 2 12490.20 12743.56 174.76 o 9 1 2 35592.10 34518.35 431.99 o 11 1 2 39104.48 38432.33 513.97 o 13 1 2 5663.17 5626.34 77.72 o 15 1 2 6552.52 6217.45 85.97 o 17 1 2 18165.03 18181.33 270.00 o 19 1 2 1368.34 1494.09 37.74 o 21 1 2 758.33 811.31 30.61 o 23 1 2 5562.47 5911.50 110.86 o 25 1 2 641.61 734.34 35.32 o 27 1 2 3250.51 3540.61 88.98 o 29 1 2 7137.43 7605.25 160.75 o -30 2 2 1424.36 1519.22 50.97 o -28 2 2 6038.77 6320.08 121.29 o -26 2 2 6744.14 7025.61 129.82 o -24 2 2 1302.96 1411.56 43.78 o -22 2 2 10274.58 10689.32 181.84 o -20 2 2 14415.35 14766.25 224.27 o -18 2 2 2411.17 2329.91 48.64 o -16 2 2 12948.00 12281.54 186.53 o -14 2 2 11331.32 10325.52 157.44 o -12 2 2 2484.95 2503.25 47.00 o -10 2 2 22908.27 22769.45 331.24 o -8 2 2 14077.68 12907.91 178.15 o -6 2 2 2669.10 2522.40 40.16 o -4 2 2 23320.17 22159.97 279.00 o -2 2 2 31924.04 30440.05 409.18 o 0 2 2 8368.06 8140.70 114.42 o 2 2 2 12600.81 12157.80 155.58 o 4 2 2 31513.14 30247.68 379.33 o 6 2 2 10398.28 10219.94 142.67 o 8 2 2 13545.94 13148.06 181.98 o 10 2 2 31233.23 29206.46 431.28 o 12 2 2 2514.83 2351.71 42.17 o 14 2 2 3654.29 3627.51 64.79 o 16 2 2 22136.25 21574.26 319.10 o 18 2 2 1811.59 1833.17 47.60 o 20 2 2 960.87 1075.90 37.88 o 22 2 2 8853.48 9159.45 149.19 o 24 2 2 1962.34 2010.19 59.26 o 26 2 2 1443.49 1423.42 48.66 o 28 2 2 4671.63 4810.36 101.87 o -27 3 2 1579.22 1562.55 56.58 o -25 3 2 65.42 18.24 19.88 o -23 3 2 931.56 940.83 38.56 o -21 3 2 4258.93 4415.67 88.53 o -19 3 2 537.19 576.83 28.64 o -17 3 2 2747.43 2602.78 54.49 o -15 3 2 10439.01 10002.99 156.74 o -13 3 2 6573.61 6371.64 104.42 o -11 3 2 10039.21 9489.48 147.42 o -9 3 2 31768.65 30612.52 415.70 o -7 3 2 18239.34 16904.58 217.26 o -5 3 2 8055.82 7519.38 117.87 o -3 3 2 30811.85 29629.35 428.43 o -1 3 2 7429.70 6974.99 102.34 o 1 3 2 322.42 377.73 15.91 o 3 3 2 8960.42 8661.59 115.60 o 5 3 2 1711.42 1527.89 30.45 o 7 3 2 70.78 82.61 10.19 o 9 3 2 9356.18 9062.57 131.24 o 11 3 2 2724.58 2541.16 56.71 o 13 3 2 485.92 458.78 26.96 o 15 3 2 8767.27 8395.77 135.48 o 17 3 2 8645.36 8460.70 137.87 o 19 3 2 3590.90 3600.89 71.76 o 21 3 2 7747.16 7791.02 131.98 o 23 3 2 10495.70 10829.04 192.99 o 25 3 2 1781.12 1867.24 56.83 o -24 4 2 2607.89 2600.00 61.33 o -22 4 2 6864.13 6888.18 120.40 o -20 4 2 5943.80 5996.21 115.56 o -18 4 2 811.91 828.35 36.70 o -16 4 2 3988.17 3804.55 79.55 o -14 4 2 2138.23 2092.05 52.64 o -12 4 2 754.71 738.45 42.91 o -10 4 2 753.22 932.71 37.00 o -8 4 2 1545.44 1479.91 37.19 o -6 4 2 9.34 59.42 25.85 o -4 4 2 3183.62 3331.39 66.07 o -2 4 2 3138.07 3063.56 101.17 o 0 4 2 566.25 805.44 31.16 o 2 4 2 6981.62 6566.89 187.91 o 4 4 2 15166.22 14859.73 227.65 o 6 4 2 6424.92 6129.29 113.85 o 8 4 2 5449.47 5125.71 97.89 o 10 4 2 13711.18 13138.27 221.68 o 12 4 2 2451.75 2333.83 57.24 o 14 4 2 118.99 78.80 17.25 o 16 4 2 2416.75 2376.64 67.53 o 18 4 2 23.32 16.69 18.92 o 20 4 2 2.04 -11.78 19.22 o 22 4 2 2431.78 2591.31 68.57 o -19 5 2 191.29 177.66 23.64 o -17 5 2 76.21 93.00 21.10 o -15 5 2 1569.89 1534.63 54.46 o -13 5 2 1217.21 1105.61 45.80 o -11 5 2 161.53 107.92 19.61 o -9 5 2 2511.96 2570.17 69.13 o -7 5 2 2362.94 2435.12 74.66 o -5 5 2 626.25 1067.12 63.16 o -3 5 2 3419.97 3631.50 102.06 o -1 5 2 416.88 502.62 75.66 o 3 5 2 2653.66 2752.55 91.24 o 5 5 2 634.35 662.33 57.70 o 7 5 2 4.42 3.79 17.84 o 9 5 2 1085.54 1127.76 41.82 o 11 5 2 572.25 602.65 38.33 o 13 5 2 153.61 128.73 24.56 o 15 5 2 866.72 781.99 42.52 o -8 6 2 717.08 828.39 90.06 o -6 6 2 87.84 86.98 38.16 o -4 6 2 379.60 491.69 76.73 o -2 6 2 1278.74 1297.01 80.63 o 0 6 2 10.23 147.37 39.57 o 2 6 2 532.06 664.04 106.43 o 4 6 2 632.06 681.17 59.88 o -31 1 3 50.02 35.32 22.76 o -29 1 3 1170.83 1274.41 42.78 o -27 1 3 36.89 -2.62 20.69 o -25 1 3 31.47 9.42 18.90 o -23 1 3 0.43 12.21 17.61 o -21 1 3 623.56 660.07 28.09 o -19 1 3 1178.42 1044.82 27.70 o -17 1 3 5150.11 5084.24 75.65 o -15 1 3 6279.03 5918.36 85.68 o -13 1 3 4177.16 3635.86 59.20 o -11 1 3 2260.05 2146.09 37.51 o -9 1 3 3419.33 3522.33 48.66 o 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