#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:54:57 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181118 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/98/2219805.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_2219805_Fobs loop_ _publ_author_name 'Yap, Quai Ling' 'Lo, Kong Mun' 'Ng, Seik Weng' _publ_section_title ; Tetrakis(4-methyl-2-thienyl)tin(IV) ; _journal_coeditor_code CI2670 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1410 _journal_volume 64 _journal_year 2008 _space_group_IT_number 82 _symmetry_space_group_name_Hall 'I -4' _symmetry_space_group_name_H-M 'I -4' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 11.6286 _cell_length_b 11.6286 _cell_length_c 7.5918 _exptl_crystal_F_000 508.00 _reflns_d_resolution_high 0.7702 _cod_data_source_file ci2670Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' I-4' _shelx_refln_list_code 4 _shelx_f_calc_maximum 211.26 _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' 'y, -x, -z' '-y, x, -z' 'x+1/2, y+1/2, z+1/2' '-x+1/2, -y+1/2, z+1/2' 'y+1/2, -x+1/2, -z+1/2' '-y+1/2, x+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 1 1 0 13725.00 13606.03 426.28 o 0 2 0 2108.93 2197.69 26.79 o 2 2 0 46.51 39.48 4.72 o -1 3 0 44630.04 42726.52 1124.25 o 1 3 0 184.91 220.94 7.73 o 3 3 0 1788.75 1727.88 37.56 o -2 4 0 7508.61 7365.98 99.46 o 0 4 0 11106.69 11327.28 125.01 o 2 4 0 10949.53 10696.71 168.97 o 4 4 0 120.03 141.36 18.35 o -3 5 0 2347.38 2155.57 45.27 o -1 5 0 269.67 297.19 7.68 o 1 5 0 10705.90 10504.95 117.52 o 3 5 0 1542.01 1484.26 36.05 o 5 5 0 4263.41 4370.93 81.52 o -4 6 0 11155.73 11458.80 187.73 o -2 6 0 5720.51 5959.71 81.99 o 0 6 0 5245.38 5442.64 65.94 o 2 6 0 1503.14 1365.69 22.74 o 4 6 0 7287.01 7332.41 87.25 o 6 6 0 2688.24 2623.99 48.07 o -5 7 0 1876.06 1863.09 38.52 o -3 7 0 10804.58 10449.33 174.12 o -1 7 0 11498.75 12158.19 137.14 o 1 7 0 4518.85 4587.70 59.04 o 3 7 0 3323.50 3349.78 40.78 o 5 7 0 7315.23 7216.82 89.39 o 7 7 0 2912.71 3065.38 56.54 o -6 8 0 839.84 868.61 25.71 o -4 8 0 1622.86 1697.55 36.84 o -2 8 0 1065.69 1030.50 22.05 o 0 8 0 15142.57 14909.02 168.03 o 2 8 0 569.38 549.37 11.90 o 4 8 0 4210.28 4272.10 50.96 o 6 8 0 3533.27 3497.27 51.73 o 8 8 0 2705.73 2709.34 54.46 o -7 9 0 441.57 442.85 19.31 o -5 9 0 3185.50 3205.67 59.57 o -3 9 0 46.74 52.99 7.37 o -1 9 0 3647.06 3648.56 51.57 o 1 9 0 352.21 357.64 10.97 o 3 9 0 6534.58 6479.41 73.10 o 5 9 0 5.28 6.72 3.89 o 7 9 0 4390.56 4397.49 76.32 o 9 9 0 707.83 708.78 26.11 o -8 10 0 49.09 47.45 8.81 o -6 10 0 2309.30 2223.40 48.86 o -4 10 0 2287.88 2311.86 48.67 o -2 10 0 1630.36 1678.40 38.62 o 0 10 0 44.70 55.93 5.24 o 2 10 0 3633.70 3634.09 47.79 o 4 10 0 933.87 906.66 22.08 o 6 10 0 2870.60 2896.10 56.70 o 8 10 0 35.66 41.66 8.24 o 10 10 0 2649.26 2809.71 79.11 o -9 11 0 1228.01 1279.89 50.53 o -7 11 0 657.01 667.91 25.99 o -5 11 0 961.96 927.68 29.71 o -3 11 0 2614.67 2544.32 52.97 o -1 11 0 3558.78 3643.89 66.49 o 1 11 0 32.93 47.63 6.48 o 3 11 0 1506.49 1453.40 30.67 o 5 11 0 2550.88 2595.61 44.82 o 7 11 0 1018.09 1054.31 32.24 o 9 11 0 130.83 150.16 18.55 o -8 12 0 1254.41 1285.52 51.22 o -6 12 0 1606.70 1641.30 43.52 o -4 12 0 123.63 114.48 11.72 o -2 12 0 3637.47 3570.59 68.29 o 0 12 0 1357.59 1346.46 35.87 o 2 12 0 2412.47 2436.59 51.26 o 4 12 0 6.80 10.44 5.58 o 6 12 0 3929.14 3955.99 73.37 o 8 12 0 287.37 331.95 25.35 o -7 13 0 3302.52 3435.94 92.07 o -5 13 0 1699.68 1700.43 45.45 o -3 13 0 1107.70 1130.25 34.98 o -1 13 0 305.54 285.36 17.30 o 1 13 0 5166.52 5188.92 111.46 o 3 13 0 470.26 509.24 22.19 o 5 13 0 1669.99 1673.57 44.25 o 7 13 0 155.37 153.67 15.23 o -4 14 0 3442.82 3712.59 75.56 o -2 14 0 514.53 530.45 24.50 o 0 14 0 580.39 597.38 31.65 o 2 14 0 1054.80 1017.35 41.67 o 4 14 0 2512.78 2708.04 112.18 o -1 15 0 990.17 1045.34 44.01 o 1 15 0 341.47 363.08 26.31 o 1 0 1 9664.44 9887.42 107.97 o 3 0 1 110.98 126.26 4.30 o 5 0 1 3966.73 4078.48 45.28 o 7 0 1 4104.07 4006.60 51.52 o 9 0 1 3768.04 3715.69 51.36 o 11 0 1 356.46 382.81 21.30 o 13 0 1 1248.13 1287.20 36.42 o 15 0 1 1229.04 1284.87 48.32 o -14 1 1 1439.30 1471.50 49.67 o -12 1 1 2231.93 2259.52 60.29 o -10 1 1 653.14 652.57 17.57 o -8 1 1 4510.12 4540.52 54.37 o -6 1 1 8596.52 8596.73 98.45 o -4 1 1 8636.29 8771.00 97.52 o -2 1 1 7807.91 8132.58 90.19 o 0 1 1 9123.47 9445.36 260.45 o 2 1 1 27287.37 27351.47 365.15 o 4 1 1 6738.02 6885.99 75.50 o 6 1 1 689.80 670.22 13.57 o 8 1 1 5932.29 5925.44 72.97 o 10 1 1 3420.20 3392.99 72.24 o 12 1 1 1555.45 1547.46 48.56 o 14 1 1 261.96 274.36 17.66 o -13 2 1 1451.52 1470.81 48.76 o -11 2 1 2249.00 2234.87 38.46 o -9 2 1 4532.44 4525.86 55.83 o -7 2 1 675.69 741.07 16.92 o -5 2 1 13441.42 13434.50 149.79 o -3 2 1 15686.10 15964.80 172.58 o -1 2 1 26222.78 25427.32 504.58 o 1 2 1 7714.15 8020.61 104.00 o 3 2 1 25282.13 25248.67 395.16 o 5 2 1 8920.80 9338.19 119.84 o 7 2 1 5202.23 5198.44 75.44 o 9 2 1 1889.89 1904.90 47.75 o 11 2 1 4534.02 4482.98 93.72 o 13 2 1 724.96 746.66 27.20 o -14 3 1 1648.80 1729.49 83.72 o -12 3 1 305.48 307.46 14.15 o -10 3 1 5371.37 5295.79 71.38 o -8 3 1 1208.73 1204.99 23.59 o -6 3 1 5264.64 5322.07 67.90 o -4 3 1 84.03 76.08 4.34 o -2 3 1 24915.84 24337.07 333.99 o 0 3 1 63.94 114.27 9.17 o 2 3 1 14877.94 15636.39 198.40 o 4 3 1 5172.59 5193.88 70.15 o 6 3 1 13677.94 13556.06 175.17 o 8 3 1 1430.00 1515.10 39.55 o 10 3 1 2566.95 2568.72 60.85 o 12 3 1 1623.59 1708.88 50.50 o 14 3 1 2031.89 2070.14 64.17 o -13 4 1 893.43 883.89 37.31 o -11 4 1 1804.23 1766.26 40.88 o -9 4 1 4372.95 4296.81 60.09 o -7 4 1 7608.24 7530.27 91.80 o -5 4 1 1399.86 1392.78 23.54 o -3 4 1 5150.06 5117.39 73.59 o -1 4 1 6299.00 6273.93 88.98 o 1 4 1 8429.00 8505.93 116.11 o 5 4 1 5814.64 5959.85 106.03 o 7 4 1 4167.86 4066.68 78.18 o 9 4 1 3601.50 3674.23 89.98 o 11 4 1 719.00 704.17 29.61 o 13 4 1 1460.74 1548.02 55.31 o -14 5 1 1389.41 1501.22 79.27 o -12 5 1 1280.02 1330.86 35.84 o -10 5 1 1594.76 1611.14 37.95 o -8 5 1 2198.60 2176.78 36.45 o -6 5 1 10146.97 10043.61 117.85 o -4 5 1 6195.14 6361.19 89.66 o -2 5 1 8629.38 9028.22 122.85 o 0 5 1 4028.07 4163.89 54.33 o 2 5 1 13607.16 13601.00 172.00 o 4 5 1 1508.89 1518.46 25.14 o 6 5 1 2110.82 2117.04 48.18 o 8 5 1 1906.44 1936.04 47.25 o 10 5 1 3160.28 3192.36 71.42 o 12 5 1 431.62 452.08 27.50 o 14 5 1 888.22 902.65 42.64 o -13 6 1 206.32 207.40 13.88 o -11 6 1 2723.09 2711.15 55.60 o -9 6 1 342.72 334.41 16.22 o -7 6 1 1871.27 1841.95 31.84 o -5 6 1 2272.86 2242.62 42.28 o -3 6 1 13933.06 13764.17 283.52 o -1 6 1 813.44 802.24 19.51 o 1 6 1 8393.77 8405.44 99.41 o 3 6 1 5678.74 5742.79 77.38 o 5 6 1 9995.62 10074.68 167.17 o 7 6 1 15.64 19.78 5.76 o 9 6 1 3186.46 3223.74 70.21 o 11 6 1 975.88 1054.08 41.73 o 13 6 1 1410.06 1459.40 60.63 o -12 7 1 1222.58 1251.26 37.30 o -10 7 1 2102.68 2092.72 47.05 o -8 7 1 3078.47 3038.08 58.28 o -6 7 1 29.24 28.25 6.04 o -4 7 1 4260.01 4026.00 66.31 o -2 7 1 5410.77 5394.87 66.92 o 0 7 1 3995.06 3919.13 53.47 o 2 7 1 886.43 935.40 18.65 o 4 7 1 7502.41 7533.70 103.11 o 6 7 1 1934.80 1926.95 46.41 o 8 7 1 3270.15 3309.26 72.63 o 10 7 1 70.26 71.07 12.63 o 12 7 1 2334.50 2388.55 71.82 o -11 8 1 406.86 418.92 21.10 o -9 8 1 3639.14 3622.12 68.76 o -7 8 1 3376.84 3363.97 62.47 o -5 8 1 1841.72 1836.40 40.50 o -3 8 1 1458.96 1518.81 34.25 o -1 8 1 5971.34 5940.86 75.04 o 1 8 1 4703.93 4736.89 62.46 o 3 8 1 1190.36 1173.04 20.55 o 5 8 1 2291.37 2301.70 52.47 o 7 8 1 3063.00 3134.58 68.84 o 9 8 1 1696.95 1681.48 53.70 o 11 8 1 1138.42 1145.59 46.85 o -12 9 1 1025.12 1061.60 35.66 o -10 9 1 469.03 454.18 22.01 o -8 9 1 1642.90 1621.55 41.28 o -6 9 1 3080.55 3016.87 59.55 o -4 9 1 3509.77 3496.17 63.99 o -2 9 1 1776.44 1836.72 40.13 o 0 9 1 3730.41 3693.85 47.13 o 2 9 1 4674.53 4609.51 56.11 o 4 9 1 4347.20 4239.16 60.76 o 6 9 1 289.17 292.79 14.00 o 8 9 1 3784.68 3714.47 87.82 o 10 9 1 1285.50 1330.61 49.53 o 12 9 1 1540.27 1606.99 59.58 o -11 10 1 1333.76 1322.58 40.61 o -9 10 1 1199.65 1200.55 36.84 o -7 10 1 32.27 32.03 7.88 o -5 10 1 3055.43 3054.81 60.98 o -3 10 1 2534.83 2518.51 51.78 o -1 10 1 3083.59 3057.38 58.56 o 1 10 1 661.32 678.49 16.37 o 3 10 1 5285.83 5186.05 73.03 o 5 10 1 1552.77 1582.61 31.61 o 7 10 1 1967.80 1967.96 58.90 o 9 10 1 559.13 541.98 30.90 o 11 10 1 2472.16 2607.41 77.60 o -10 11 1 2472.73 2552.32 60.16 o -8 11 1 1224.38 1209.87 37.06 o -6 11 1 874.60 912.55 30.96 o -4 11 1 828.76 805.20 27.49 o -2 11 1 4468.73 4468.50 78.53 o 0 11 1 395.24 395.33 18.04 o 2 11 1 2011.50 2007.68 38.20 o 4 11 1 1910.23 1934.36 37.75 o 6 11 1 2597.11 2585.34 47.99 o 8 11 1 412.52 421.02 27.32 o 10 11 1 1292.84 1338.17 52.78 o -9 12 1 1645.39 1717.14 47.76 o -7 12 1 2400.04 2463.10 57.19 o -5 12 1 421.57 423.65 21.28 o -3 12 1 1650.19 1706.58 43.56 o -1 12 1 1742.87 1737.19 42.21 o 1 12 1 2228.89 2232.72 41.77 o 3 12 1 340.85 342.39 15.30 o 5 12 1 1194.45 1260.80 31.39 o 7 12 1 1368.99 1428.57 41.90 o 9 12 1 1036.32 1068.26 46.27 o -6 13 1 1480.20 1581.28 44.81 o -4 13 1 1480.41 1471.08 42.03 o -2 13 1 643.95 650.59 26.33 o 0 13 1 1364.17 1403.29 38.36 o 2 13 1 1515.13 1531.83 40.45 o 4 13 1 866.17 885.12 30.75 o 6 13 1 175.79 185.33 16.49 o -5 14 1 956.14 949.04 34.63 o -3 14 1 2061.26 2078.47 52.44 o -1 14 1 277.38 298.76 18.90 o 1 14 1 1330.81 1300.33 48.89 o 3 14 1 1769.49 1810.00 47.17 o 5 14 1 1327.17 1411.03 53.17 o 0 15 1 1203.76 1239.87 49.36 o 0 0 2 3988.06 3772.11 66.69 o 2 0 2 7244.21 7242.53 81.15 o 4 0 2 13303.94 13575.49 150.04 o 6 0 2 4097.12 3877.21 48.25 o 8 0 2 3416.26 3313.99 45.91 o 10 0 2 1446.60 1471.39 32.66 o 12 0 2 1582.34 1617.03 48.57 o 14 0 2 827.42 875.14 52.68 o -13 1 2 881.61 871.67 51.26 o -11 1 2 1946.87 1927.80 41.14 o -9 1 2 5217.54 5175.65 62.12 o -7 1 2 2044.30 2023.94 30.98 o -5 1 2 4749.20 4704.60 57.99 o -3 1 2 5221.27 5279.92 62.54 o -1 1 2 8001.25 7986.46 110.56 o 1 1 2 8454.23 8464.65 76.82 o 3 1 2 6657.04 6812.77 70.03 o 5 1 2 3268.72 3240.06 40.54 o 7 1 2 4782.91 4798.99 60.37 o 9 1 2 3659.02 3549.35 57.26 o 11 1 2 2357.92 2427.84 60.35 o 13 1 2 651.17 658.09 44.93 o -14 2 2 974.24 1048.69 60.70 o -12 2 2 2548.13 2545.41 91.96 o -10 2 2 2305.84 2314.52 35.16 o -8 2 2 3729.57 3731.69 52.25 o -6 2 2 4762.15 4824.63 61.64 o -4 2 2 8593.60 8889.35 99.49 o -2 2 2 6331.38 6616.58 89.90 o 0 2 2 6922.72 7101.53 115.53 o 2 2 2 6713.32 6873.88 77.58 o 4 2 2 8325.17 8574.70 134.33 o 6 2 2 1371.27 1321.44 25.41 o 8 2 2 2604.04 2644.23 44.99 o 10 2 2 3067.83 3079.64 68.48 o 12 2 2 1573.19 1575.81 69.29 o 14 2 2 1033.63 1088.72 62.43 o -13 3 2 1046.11 1122.48 60.65 o -11 3 2 2283.56 2294.70 40.68 o -9 3 2 3471.73 3423.88 50.36 o -7 3 2 2807.15 2867.70 41.85 o -5 3 2 8060.72 8335.54 96.58 o -3 3 2 12312.82 12605.64 162.75 o -1 3 2 6896.43 6963.33 113.19 o 1 3 2 5349.77 5541.31 74.25 o 3 3 2 12326.01 12601.49 138.57 o 5 3 2 10101.27 9915.71 126.04 o 7 3 2 3282.09 3163.04 49.54 o 9 3 2 1367.57 1359.41 37.65 o 11 3 2 1892.77 1910.38 77.84 o 13 3 2 1541.36 1544.15 72.63 o -14 4 2 457.06 483.53 43.02 o -12 4 2 1428.25 1421.81 37.78 o -10 4 2 2568.98 2612.13 51.62 o -8 4 2 4884.78 4921.95 64.41 o -6 4 2 3388.50 3324.51 46.26 o -4 4 2 5437.87 5548.79 80.33 o -2 4 2 8083.44 8292.01 113.06 o 0 4 2 13653.20 13840.85 215.13 o 2 4 2 8299.38 8529.39 115.82 o 4 4 2 5419.61 5538.69 75.26 o 6 4 2 5083.33 5019.72 74.17 o 8 4 2 6688.35 6558.18 113.14 o 10 4 2 3175.77 3193.79 108.61 o 12 4 2 1086.58 1087.47 58.03 o 14 4 2 756.53 786.35 53.88 o -13 5 2 1772.79 1857.58 46.93 o -11 5 2 1323.96 1285.70 34.97 o -9 5 2 1293.79 1260.46 32.15 o -7 5 2 2512.61 2526.23 48.05 o -5 5 2 8743.90 8753.48 100.77 o -3 5 2 9385.25 9347.22 130.10 o -1 5 2 3270.42 3226.82 51.06 o 1 5 2 4804.34 4763.91 69.19 o 3 5 2 8028.97 8202.01 109.07 o 5 5 2 8067.12 8032.03 111.83 o 7 5 2 2552.41 2554.58 54.76 o 9 5 2 3629.56 3704.27 118.99 o 11 5 2 1670.42 1628.18 72.77 o 13 5 2 1370.30 1497.92 76.24 o -12 6 2 1621.26 1647.32 42.11 o -10 6 2 1403.91 1381.79 36.42 o -8 6 2 2477.89 2429.94 49.31 o -6 6 2 2740.19 2730.05 50.29 o -4 6 2 5187.74 5151.47 78.67 o -2 6 2 1496.76 1401.75 29.42 o 0 6 2 3734.05 3547.56 49.94 o 2 6 2 4939.04 5022.67 73.37 o 4 6 2 3480.26 3383.96 50.54 o 6 6 2 2531.30 2540.54 55.42 o 8 6 2 2319.19 2258.35 86.75 o 10 6 2 1967.60 1979.36 82.96 o 12 6 2 1155.69 1105.51 63.99 o -13 7 2 754.93 783.50 37.50 o -11 7 2 1429.89 1425.22 39.23 o -9 7 2 1938.30 1974.50 44.99 o -7 7 2 2564.93 2502.10 51.08 o -5 7 2 2574.74 2519.77 48.98 o -3 7 2 3259.86 3194.12 55.55 o -1 7 2 5010.78 5043.72 75.94 o 1 7 2 1929.17 1921.08 32.34 o 3 7 2 2824.59 2879.06 49.47 o 5 7 2 2588.17 2597.33 54.94 o 7 7 2 2824.94 2751.95 93.65 o 9 7 2 2528.82 2519.80 96.90 o 11 7 2 949.75 984.11 57.94 o 13 7 2 674.11 718.35 38.81 o -12 8 2 780.14 773.57 29.89 o -10 8 2 1003.03 979.35 31.94 o -8 8 2 2309.49 2209.77 49.15 o -6 8 2 2555.96 2525.97 50.95 o -4 8 2 6207.91 5960.65 95.65 o -2 8 2 2680.41 2724.33 50.47 o 0 8 2 3489.91 3399.60 57.74 o 2 8 2 3865.52 3833.73 54.06 o 4 8 2 4476.71 4354.28 95.34 o 6 8 2 2723.45 2582.37 90.62 o 8 8 2 2329.78 2289.26 88.71 o 10 8 2 1351.42 1375.86 68.80 o 12 8 2 895.47 917.97 43.60 o -11 9 2 719.86 722.67 28.99 o -9 9 2 2027.25 2074.56 49.78 o -7 9 2 2737.09 2706.47 56.36 o -5 9 2 3759.85 3705.70 68.17 o -3 9 2 1304.68 1295.02 33.41 o -1 9 2 3422.54 3373.41 61.08 o 1 9 2 5587.41 5456.49 72.46 o 3 9 2 3394.78 3370.27 51.00 o 5 9 2 1279.04 1262.72 42.74 o 7 9 2 1832.87 1826.08 79.27 o 9 9 2 2193.73 2180.02 90.27 o 11 9 2 1430.98 1447.49 55.39 o -10 10 2 1163.94 1210.09 38.43 o -8 10 2 1260.15 1274.97 37.99 o -6 10 2 2016.34 2024.46 47.91 o -4 10 2 3351.33 3301.91 63.62 o -2 10 2 3063.70 3083.52 59.33 o 0 10 2 1464.00 1435.13 35.27 o 2 10 2 2404.90 2389.39 41.08 o 4 10 2 2731.44 2722.92 54.32 o 6 10 2 1475.65 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