#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:06:57 +0300 (Sun, 03 Apr 2016) $ #$Revision: 180963 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/43/2204361.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_2204361_Fobs loop_ _publ_author_name Sadiq-ur-Rehman 'Ali, Saqib' 'Mazhar, Muhammad' 'Parvez, Masood' _publ_section_title ; catena-Poly[[trimethyltin(IV)]-\m-3-(4-chlorophenyl)-2-phenylpropenoato-\k^2^O:O'] ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1394 _journal_page_last m1396 _journal_volume 60 _journal_year 2004 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 103.764 _cell_angle_gamma 90.000 _cell_length_a 9.3500 _cell_length_b 10.4540 _cell_length_c 18.9020 _exptl_crystal_F_000 840.00 _reflns_d_resolution_high 0.7703 _cod_data_source_file lh6264Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Compound X' _shelx_refln_list_code 4 _shelx_f_calc_maximum 214.36 _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+1/2, -z+1/2' '-x, -y, -z' 'x, -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 16589.76 16226.05 561.74 o 3 0 0 2672.41 2671.01 104.12 o 4 0 0 9905.95 9565.18 318.79 o 5 0 0 5183.49 5226.88 193.99 o 6 0 0 4121.80 4295.09 138.14 o 7 0 0 2328.69 2471.74 109.64 o 8 0 0 35.62 57.46 37.00 o 9 0 0 1052.35 956.15 97.91 o 10 0 0 5.36 6.90 64.82 o 11 0 0 1.64 57.46 112.62 o 2 1 0 350.98 401.54 14.95 o 3 1 0 4983.55 4919.58 118.88 o 4 1 0 8044.77 8016.14 194.29 o 5 1 0 4022.04 4057.19 94.98 o 6 1 0 5185.53 5426.26 134.81 o 7 1 0 3063.95 3295.96 105.07 o 8 1 0 3715.34 3917.32 131.56 o 9 1 0 2791.35 2606.89 147.13 o 10 1 0 939.63 975.75 99.34 o 11 1 0 860.89 832.96 108.52 o 0 2 0 1809.96 1767.73 56.54 o 2 2 0 6394.95 6170.87 143.74 o 3 2 0 23001.44 22147.56 529.01 o 4 2 0 6424.05 6158.33 154.34 o 5 2 0 8986.29 8855.07 196.53 o 6 2 0 5141.17 5009.87 120.65 o 7 2 0 966.91 984.18 49.92 o 8 2 0 802.19 804.30 72.52 o 9 2 0 0.31 19.20 36.55 o 10 2 0 254.58 233.03 92.17 o 11 2 0 12.12 -31.66 59.47 o 1 3 0 42.52 74.65 6.42 o 2 3 0 16.59 9.19 6.50 o 3 3 0 4737.78 4621.20 121.57 o 4 3 0 637.58 644.30 28.04 o 5 3 0 7425.74 7837.13 162.99 o 6 3 0 2502.41 2507.55 76.88 o 7 3 0 3100.89 3189.64 103.43 o 8 3 0 2031.88 1850.93 136.53 o 9 3 0 1104.54 1071.63 90.32 o 10 3 0 1498.67 1499.89 119.11 o 11 3 0 480.94 565.51 89.30 o 0 4 0 7366.49 7063.10 265.93 o 1 4 0 1986.81 1764.02 68.49 o 2 4 0 6812.47 6513.11 295.81 o 3 4 0 4347.09 4179.49 152.04 o 4 4 0 8539.78 8856.79 244.77 o 5 4 0 2424.57 2368.01 72.89 o 6 4 0 1322.13 1439.15 72.52 o 7 4 0 1414.25 1469.34 64.91 o 8 4 0 411.83 401.54 55.62 o 9 4 0 469.87 445.01 52.17 o 10 4 0 13.69 -38.48 50.47 o 11 4 0 0.22 -90.11 74.03 o 1 5 0 1513.18 1575.07 39.28 o 2 5 0 1471.53 1469.15 44.21 o 3 5 0 6.29 -4.44 9.40 o 4 5 0 4091.31 4226.39 114.57 o 5 5 0 481.09 484.78 94.58 o 6 5 0 1567.66 1538.40 59.39 o 7 5 0 380.54 311.57 117.22 o 8 5 0 513.49 593.56 124.12 o 9 5 0 958.12 978.39 76.24 o 0 6 0 4043.01 4408.86 184.56 o 1 6 0 2507.86 2584.68 107.57 o 2 6 0 1579.50 1564.36 44.17 o 3 6 0 737.85 751.82 55.74 o 4 6 0 404.40 385.27 42.18 o 5 6 0 95.62 154.52 37.92 o 6 6 0 204.50 226.34 26.77 o 7 6 0 65.12 85.03 27.65 o 8 6 0 36.01 11.28 40.24 o 9 6 0 12.54 -47.13 77.11 o 10 6 0 36.49 -72.46 73.16 o 1 7 0 45.51 46.21 14.94 o 2 7 0 20.20 18.60 9.78 o 3 7 0 300.07 330.48 19.64 o 4 7 0 317.20 349.67 44.13 o 5 7 0 494.85 447.05 30.14 o 6 7 0 0.60 3.07 24.87 o 7 7 0 8.60 28.76 29.73 o 8 7 0 3.90 -1.71 39.79 o 9 7 0 6.49 -31.95 75.39 o 10 7 0 60.50 159.73 91.43 o 0 8 0 112.84 119.52 18.85 o 1 8 0 121.38 112.16 11.26 o 2 8 0 3.36 8.96 42.29 o 3 8 0 52.09 57.43 14.94 o 4 8 0 850.82 806.26 112.74 o 5 8 0 225.04 193.44 27.45 o 6 8 0 0.55 -7.66 43.67 o 7 8 0 0.10 -7.58 45.36 o 8 8 0 0.03 5.70 34.95 o 9 8 0 44.82 181.96 85.85 o 1 9 0 115.35 96.53 14.25 o 2 9 0 647.57 632.34 34.25 o 3 9 0 808.22 775.82 41.83 o 4 9 0 9.50 1.48 15.44 o 5 9 0 133.90 111.93 25.98 o 6 9 0 26.63 67.39 36.66 o 7 9 0 13.92 8.15 41.64 o 8 9 0 198.16 184.39 108.26 o 0 10 0 374.71 337.18 29.88 o 1 10 0 2280.22 2428.99 66.19 o 2 10 0 779.00 886.28 34.25 o 3 10 0 1458.12 1507.77 76.65 o 4 10 0 500.71 532.46 74.81 o 5 10 0 292.58 255.84 30.10 o 1 11 0 14.60 4.60 13.79 o 2 11 0 6.85 4.60 13.79 o 3 11 0 114.44 89.18 20.92 o 4 11 0 458.40 490.49 48.96 o 5 11 0 364.56 384.53 54.47 o 6 11 0 378.57 271.91 77.46 o 1 12 0 1279.91 1214.72 103.66 o 2 12 0 1146.25 1132.67 90.33 o 3 12 0 1201.20 1221.39 90.56 o 4 12 0 1214.56 1198.18 152.62 o 5 12 0 478.71 349.59 50.11 o 2 13 0 54.23 38.84 48.50 o 3 13 0 418.97 384.53 73.32 o -11 1 1 45.60 58.64 58.48 o -10 1 1 117.93 214.83 61.33 o -9 1 1 32.03 119.24 37.98 o -8 1 1 7.85 38.48 29.05 o -7 1 1 380.93 376.08 38.96 o -6 1 1 39.62 58.68 18.52 o -5 1 1 2365.64 2271.48 56.50 o -4 1 1 14.77 17.47 14.94 o -3 1 1 6096.05 6401.90 305.81 o -2 1 1 4546.17 4461.44 112.89 o 2 1 1 3794.45 3896.16 173.65 o 3 1 1 4366.46 4324.25 107.34 o 4 1 1 43.54 45.85 10.98 o 5 1 1 2093.24 2056.99 55.33 o 6 1 1 27.04 54.91 28.73 o 7 1 1 0.89 11.13 20.36 o 8 1 1 190.99 189.02 29.05 o 9 1 1 102.42 226.83 68.38 o 10 1 1 316.72 314.54 59.06 o 11 1 1 9.84 32.92 62.46 o -11 2 1 10.20 1.57 82.93 o -10 2 1 119.46 162.84 62.63 o -9 2 1 90.38 36.61 29.87 o -8 2 1 441.64 473.71 38.02 o -7 2 1 301.00 373.63 31.42 o -6 2 1 163.26 202.55 35.63 o -5 2 1 66.00 52.31 13.67 o -4 2 1 5804.04 6128.83 157.56 o -3 2 1 1666.15 1676.47 49.87 o -2 2 1 304.20 300.55 19.19 o -1 2 1 17358.19 15232.04 1045.67 o 0 2 1 1057.35 950.17 35.40 o 1 2 1 2589.66 2617.56 66.99 o 2 2 1 11143.61 11400.58 271.45 o 3 2 1 3432.58 3526.10 90.19 o 4 2 1 718.91 710.01 24.34 o 5 2 1 1318.69 1409.94 88.03 o 6 2 1 1646.65 1684.73 90.56 o 7 2 1 33.53 22.00 22.07 o 8 2 1 180.24 146.55 34.34 o 9 2 1 27.77 33.55 43.13 o 10 2 1 40.02 58.21 41.49 o 11 2 1 0.46 15.76 58.14 o -11 3 1 369.30 388.46 76.84 o -10 3 1 350.96 366.07 62.12 o -9 3 1 667.44 565.81 97.45 o -8 3 1 917.32 888.30 50.51 o -7 3 1 730.69 815.58 46.35 o -6 3 1 3794.88 3782.98 101.63 o -5 3 1 567.81 533.34 34.57 o -4 3 1 3879.22 3945.35 90.87 o -3 3 1 298.33 340.64 17.58 o -2 3 1 782.30 813.65 25.11 o -1 3 1 634.51 694.53 21.14 o 0 3 1 38.50 25.85 4.83 o 1 3 1 1986.05 1986.76 61.50 o 2 3 1 3809.65 3676.84 113.54 o 3 3 1 1016.21 1104.87 38.27 o 4 3 1 7795.11 8012.77 190.47 o 5 3 1 2826.46 3106.74 79.63 o 6 3 1 1369.45 1448.57 49.03 o 7 3 1 638.91 619.71 71.94 o 8 3 1 572.45 554.66 46.07 o 9 3 1 1117.99 988.81 80.91 o 10 3 1 365.63 416.53 138.83 o 11 3 1 438.36 380.62 147.79 o -11 4 1 114.16 90.16 171.58 o -10 4 1 4.54 73.91 65.69 o -9 4 1 301.61 306.83 49.56 o -8 4 1 192.71 233.20 36.54 o -7 4 1 1436.60 1258.11 61.63 o -6 4 1 1926.60 1829.02 58.01 o -5 4 1 3542.34 3367.65 86.27 o -4 4 1 6674.99 6291.41 146.08 o -3 4 1 8267.51 8226.83 200.33 o -2 4 1 12105.77 11429.63 317.64 o -1 4 1 3437.00 3129.64 96.53 o 1 4 1 14280.73 14388.21 341.54 o 2 4 1 10989.39 10871.58 287.49 o 3 4 1 3390.77 3208.89 92.06 o 4 4 1 5634.63 5872.96 140.26 o 5 4 1 4184.66 4377.23 111.90 o 6 4 1 1105.09 1119.84 41.92 o 7 4 1 1137.00 1121.40 50.13 o 8 4 1 4.09 3.07 57.35 o 9 4 1 619.85 599.79 71.98 o 10 4 1 14.20 -2.84 56.70 o 11 4 1 1.47 28.20 64.40 o -11 5 1 551.55 393.01 86.54 o -10 5 1 1395.53 1359.30 166.18 o -9 5 1 1450.73 1367.88 168.59 o -8 5 1 1487.81 1526.34 81.07 o -7 5 1 2753.20 2730.34 100.92 o -6 5 1 1228.90 1248.44 51.43 o -5 5 1 2221.16 2365.56 69.05 o -4 5 1 590.51 579.42 29.99 o -3 5 1 979.88 999.03 36.27 o -2 5 1 50.10 54.82 13.64 o -1 5 1 330.61 316.27 11.93 o 0 5 1 126.03 161.35 9.65 o 1 5 1 383.32 336.07 18.62 o 2 5 1 318.31 435.98 21.47 o 3 5 1 1701.50 1661.01 112.16 o 4 5 1 1053.96 1143.68 60.33 o 5 5 1 3495.29 3730.59 152.16 o 6 5 1 2260.08 2339.55 187.78 o 7 5 1 1765.18 1733.71 122.74 o 8 5 1 2404.92 2403.29 125.98 o 9 5 1 1826.53 1800.14 187.09 o 10 5 1 1074.28 924.58 104.56 o -10 6 1 93.61 78.08 56.48 o -9 6 1 12.70 54.28 40.34 o -8 6 1 778.90 790.16 74.58 o -7 6 1 962.80 823.08 69.76 o -6 6 1 2354.01 2582.85 84.30 o -5 6 1 6551.98 7235.48 308.34 o -4 6 1 7565.56 8119.01 179.54 o -3 6 1 11706.98 11445.69 293.70 o -2 6 1 4467.63 4312.52 117.40 o -1 6 1 18761.18 18095.38 391.14 o 0 6 1 10358.57 10447.32 264.55 o 1 6 1 16486.88 15761.99 1657.52 o 2 6 1 9028.88 9005.33 271.06 o 3 6 1 10485.57 11116.75 570.93 o 4 6 1 2523.91 2471.74 77.52 o 5 6 1 1922.60 1959.89 64.50 o 6 6 1 3534.69 3547.71 108.79 o 7 6 1 346.51 377.55 34.75 o 8 6 1 462.21 474.84 50.95 o 9 6 1 25.42 -83.16 55.44 o 10 6 1 228.95 147.34 75.55 o -10 7 1 767.03 804.73 134.11 o -9 7 1 1241.21 1056.66 88.58 o -8 7 1 1653.44 1818.91 95.99 o -7 7 1 2191.62 2325.03 117.49 o -6 7 1 2907.24 3004.24 143.77 o -5 7 1 591.35 547.59 33.24 o -4 7 1 1091.77 1107.44 46.31 o -3 7 1 3739.99 3656.71 139.40 o -2 7 1 262.86 259.22 15.41 o -1 7 1 11.01 20.69 9.19 o 0 7 1 221.37 222.26 14.25 o 1 7 1 1610.25 1620.66 58.35 o 2 7 1 1703.93 1730.91 84.01 o 3 7 1 129.87 133.38 26.66 o 4 7 1 2077.11 2147.59 66.54 o 5 7 1 3067.55 3309.82 140.32 o 6 7 1 2549.24 2494.57 96.02 o 7 7 1 1739.65 1745.26 112.15 o 8 7 1 1934.71 1883.35 273.74 o 9 7 1 1372.71 1375.84 134.31 o -9 8 1 217.38 250.81 68.60 o -8 8 1 359.76 330.03 48.66 o -7 8 1 1590.99 1645.36 108.03 o -6 8 1 1615.80 1721.57 77.03 o -5 8 1 1117.46 1123.54 52.21 o -4 8 1 4232.61 4218.26 122.38 o -3 8 1 3958.93 4171.89 161.12 o -2 8 1 11313.25 11218.23 243.87 o -1 8 1 4621.76 4772.71 119.29 o 0 8 1 18262.59 18239.25 725.16 o 1 8 1 6223.00 6249.91 242.49 o 2 8 1 6586.97 6650.75 131.48 o 3 8 1 2931.24 2994.87 136.30 o 4 8 1 2227.38 2360.87 83.97 o 5 8 1 3399.10 3644.95 134.85 o 6 8 1 1710.37 1598.79 92.87 o 7 8 1 744.70 758.03 64.72 o 8 8 1 21.68 29.87 34.73 o 9 8 1 287.33 188.95 68.32 o -8 9 1 795.85 686.88 88.60 o -7 9 1 1017.23 889.74 63.42 o -6 9 1 1745.60 1648.90 101.13 o -5 9 1 1184.03 1181.11 68.26 o -4 9 1 1151.73 1202.85 51.53 o -3 9 1 932.06 968.35 37.00 o -2 9 1 777.55 703.48 39.99 o -1 9 1 7.87 6.90 11.72 o 0 9 1 7.50 2.30 11.72 o 1 9 1 421.88 397.86 22.98 o 2 9 1 1427.53 1513.77 72.17 o 3 9 1 1550.17 1505.50 39.88 o 4 9 1 1804.60 1873.97 65.60 o 5 9 1 1736.07 1668.84 71.86 o 6 9 1 1258.29 1226.93 74.75 o 7 9 1 1369.87 1202.75 119.98 o 8 9 1 1275.83 1028.78 132.16 o -8 10 1 163.41 105.27 63.90 o -7 10 1 505.57 283.17 85.50 o -6 10 1 684.77 690.63 65.74 o -5 10 1 1799.74 1836.09 114.35 o -4 10 1 1781.02 1782.71 82.17 o -3 10 1 2721.89 2841.85 94.09 o -2 10 1 1030.14 1066.02 46.89 o -1 10 1 7054.42 7446.94 239.96 o 1 10 1 2932.23 2898.56 139.29 o 2 10 1 3304.53 3354.11 127.79 o 3 10 1 3994.31 4188.05 228.81 o 4 10 1 2445.54 2399.43 82.46 o 5 10 1 1180.34 1096.27 57.21 o 6 10 1 470.97 344.31 92.40 o 7 10 1 65.78 87.34 52.86 o -7 11 1 533.36 516.46 102.51 o -6 11 1 309.06 220.88 75.62 o -5 11 1 865.75 778.48 69.64 o -4 11 1 245.50 199.96 34.02 o -3 11 1 92.91 91.94 20.23 o -2 11 1 106.48 66.42 17.93 o -1 11 1 27.48 18.16 14.02 o 0 11 1 5.01 16.32 11.49 o 1 11 1 1.76 -4.60 16.09 o 2 11 1 186.52 218.12 26.89 o 3 11 1 800.39 813.65 71.02 o 4 11 1 309.05 232.37 64.36 o 5 11 1 693.87 660.34 64.13 o 6 11 1 544.93 496.92 85.50 o -5 12 1 166.43 105.27 36.32 o -4 12 1 940.80 920.98 81.36 o -3 12 1 736.84 773.19 106.65 o -2 12 1 1514.45 1504.33 182.27 o -1 12 1 542.96 501.29 68.72 o 0 12 1 1085.14 1047.17 68.26 o 1 12 1 796.11 757.34 50.11 o 2 12 1 1057.11 950.17 88.72 o 3 12 1 513.66 421.07 45.28 o 4 12 1 399.24 395.79 47.81 o 5 12 1 144.94 220.88 82.74 o -3 13 1 16.79 22.98 36.78 o -2 13 1 8.32 22.98 41.37 o -1 13 1 2.62 -11.49 41.37 o 1 13 1 2.86 11.49 48.27 o 2 13 1 98.25 53.09 57.23 o 3 13 1 5.20 43.67 71.02 o -11 0 2 570.83 563.12 116.07 o -10 0 2 130.02 61.83 59.53 o -9 0 2 385.40 449.11 62.98 o -8 0 2 865.32 980.05 75.16 o -7 0 2 1854.17 1987.92 85.50 o -6 0 2 6101.06 5943.07 199.50 o -5 0 2 4795.70 4601.93 143.19 o -4 0 2 21588.75 21004.27 736.42 o -3 0 2 1800.89 1779.91 64.82 o 2 0 2 37691.53 34941.30 1200.93 o 3 0 2 13076.43 12660.71 453.02 o 4 0 2 4315.87 4176.49 229.38 o 5 0 2 10604.10 10654.18 336.49 o 6 0 2 1053.44 1221.39 70.33 o 7 0 2 2302.55 2216.38 99.29 o 8 0 2 11.21 -34.25 31.95 o 9 0 2 23.63 -29.88 50.34 o 10 0 2 2.31 13.56 75.39 o 11 0 2 0.72 2.30 83.66 o -11 1 2 954.97 827.16 96.15 o -10 1 2 2026.04 1958.68 183.42 o -9 1 2 2526.37 2717.91 169.85 o -8 1 2 2909.68 3085.06 105.46 o -7 1 2 2249.40 2131.86 76.67 o -6 1 2 3191.20 3174.39 173.42 o -5 1 2 997.76 1016.56 40.69 o -4 1 2 2307.23 2250.39 65.88 o -3 1 2 13306.41 13165.08 326.46 o -2 1 2 703.26 755.62 21.39 o 0 1 2 56.91 6.27 3.45 o 1 1 2 11845.62 11843.62 459.23 o 2 1 2 9415.57 9370.24 303.39 o 3 1 2 652.55 598.02 21.53 o 4 1 2 5992.94 6055.05 131.60 o 5 1 2 5444.76 5796.82 143.80 o 6 1 2 5608.44 5788.94 146.92 o 7 1 2 6104.04 6369.06 183.68 o 8 1 2 3677.34 4093.29 134.49 o 9 1 2 2009.92 2034.39 230.88 o 10 1 2 1395.26 1407.11 101.11 o 11 1 2 1217.99 1080.81 117.51 o -11 2 2 0.26 -76.75 53.67 o -10 2 2 269.99 260.57 165.95 o -9 2 2 108.49 106.99 40.79 o -8 2 2 869.50 840.88 59.76 o -7 2 2 2626.76 2559.16 132.85 o -6 2 2 2676.53 2590.07 75.69 o -5 2 2 16394.65 16505.94 348.08 o -4 2 2 10125.21 9597.78 209.17 o -3 2 2 34270.39 31721.73 783.79 o -2 2 2 26.84 55.28 8.12 o -1 2 2 36508.66 34725.26 1323.76 o 0 2 2 17947.67 15728.25 2135.36 o 1 2 2 30262.24 27916.71 945.39 o 2 2 2 14020.67 13101.54 318.14 o 3 2 2 17894.88 18422.66 885.36 o 4 2 2 11630.21 11579.32 276.05 o 5 2 2 3503.65 3409.93 87.10 o 6 2 2 3345.85 3243.16 92.48 o 7 2 2 9.67 -19.36 20.25 o 8 2 2 791.25 819.40 46.41 o 9 2 2 8.46 -44.10 41.25 o 10 2 2 17.64 69.13 68.34 o 11 2 2 7.20 43.67 96.53 o -11 3 2 393.97 504.44 76.47 o -10 3 2 1139.68 1181.82 106.84 o -9 3 2 1868.94 1968.95 118.02 o -8 3 2 1760.46 1732.13 74.72 o -7 3 2 3829.89 4020.41 157.67 o -6 3 2 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