#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/35/2203534.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_2203534_Fobs loop_ _publ_author_name 'Parvez, Masood' 'Ahmed, Sajjad' 'Ali, Saqib' 'Bhatti, Moazzam H.' 'Mazhar, Muhammad' _publ_section_title ; Polymeric [2-(N-maleoyl)-2-methylpropionato]trimethyltin(IV) ; _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m554 _journal_page_last m556 _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 102.442 _cell_angle_gamma 90.000 _cell_length_a 21.7380 _cell_length_b 9.7000 _cell_length_c 13.4470 _exptl_crystal_F_000 1376.00 _reflns_d_resolution_high 0.7702 _[local]_cod_data_source_file ac6093Isup2.hkl _[local]_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 394.88 _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 5 0 0 49.60 46.93 18.77 o 6 0 0 46542.39 45259.83 1113.10 o 7 0 0 947.98 1123.42 58.19 o 8 0 0 1426.25 1427.51 58.19 o 9 0 0 1074.86 931.02 46.93 o 10 0 0 637.90 789.31 48.80 o 11 0 0 1328.75 1091.51 63.82 o 12 0 0 13231.98 12455.28 475.84 o 13 0 0 5247.26 5251.09 210.23 o 14 0 0 17601.17 17384.45 612.86 o 15 0 0 1990.34 2046.94 113.56 o 16 0 0 54777.38 57910.32 1678.10 o 17 0 0 2274.78 3481.02 216.80 o 18 0 0 3999.24 4187.74 200.85 o 19 0 0 906.71 1022.06 123.89 o 20 0 0 11299.51 11857.43 569.69 o 21 0 0 287.35 553.73 150.17 o 22 0 0 9068.60 9329.02 542.47 o 23 0 0 2546.51 2402.65 228.06 o 24 0 0 3200.41 2953.56 326.61 o 25 0 0 3586.84 4038.51 332.24 o 26 0 0 1941.30 1866.74 275.93 o 27 0 0 2097.62 2091.05 301.27 o 4 1 0 25.03 25.47 14.08 o 5 1 0 34885.52 34526.36 534.56 o 6 1 0 5781.91 5740.54 110.28 o 7 1 0 15399.99 15721.50 264.90 o 8 1 0 2967.72 3177.98 97.61 o 9 1 0 20821.64 21451.32 361.11 o 10 1 0 4432.89 4508.51 161.90 o 11 1 0 22016.65 22890.49 384.74 o 12 1 0 91.78 121.63 31.24 o 13 1 0 7251.85 6804.56 201.32 o 14 1 0 107.26 136.04 37.85 o 15 1 0 3025.63 3063.45 113.09 o 16 1 0 6370.00 6569.11 171.79 o 17 1 0 354.40 258.65 51.60 o 18 1 0 3619.83 3682.57 127.09 o 19 1 0 27.21 14.93 54.00 o 20 1 0 4.47 -21.82 155.33 o 21 1 0 269.58 334.54 116.66 o 22 1 0 700.03 759.75 115.33 o 23 1 0 1072.92 979.43 132.41 o 24 1 0 66.78 258.03 133.93 o 25 1 0 1336.63 1025.59 170.24 o 26 1 0 42.24 188.61 140.83 o 27 1 0 670.76 1118.89 732.06 o 0 2 0 3661.41 3757.07 129.71 o 1 2 0 2481.64 2422.42 76.49 o 2 2 0 52015.92 48685.08 952.02 o 3 2 0 5665.57 5449.76 142.66 o 4 2 0 6967.70 6622.43 126.23 o 5 2 0 2093.80 2262.94 52.77 o 6 2 0 14548.33 14621.43 445.33 o 7 2 0 1689.77 1792.18 61.00 o 8 2 0 960.91 916.71 33.18 o 9 2 0 7034.00 7686.55 156.29 o 10 2 0 1543.38 1438.23 59.13 o 11 2 0 4924.07 5066.32 131.37 o 12 2 0 795.21 789.75 45.76 o 13 2 0 68.92 85.60 31.07 o 14 2 0 12073.97 11835.84 273.07 o 15 2 0 425.96 438.15 51.62 o 16 2 0 4980.96 5090.94 139.25 o 17 2 0 200.95 203.45 47.55 o 18 2 0 7852.39 8304.21 332.24 o 19 2 0 43.69 39.11 76.37 o 20 2 0 3535.82 3269.07 154.93 o 21 2 0 56.82 0.00 66.36 o 22 2 0 545.18 609.65 120.52 o 23 2 0 11.44 151.92 112.46 o 24 2 0 257.54 367.17 145.94 o 25 2 0 545.45 415.08 235.10 o 26 2 0 159.28 216.96 228.31 o 27 2 0 263.75 778.04 335.06 o 1 3 0 545.84 685.41 30.50 o 2 3 0 2829.49 2980.70 90.10 o 3 3 0 32520.23 31394.71 521.52 o 4 3 0 5991.74 6613.82 204.13 o 5 3 0 47360.46 45688.96 864.60 o 6 3 0 11722.86 12513.84 514.79 o 7 3 0 103385.87 102096.91 1992.84 o 8 3 0 1595.99 1584.19 42.84 o 9 3 0 87765.71 85662.66 1702.67 o 10 3 0 20.96 -13.07 15.77 o 11 3 0 27504.89 26428.47 503.99 o 12 3 0 2460.84 2397.77 68.46 o 13 3 0 17682.16 17928.65 349.17 o 14 3 0 2782.84 2621.22 80.73 o 15 3 0 8736.94 8961.22 215.98 o 16 3 0 5224.57 5204.75 137.10 o 17 3 0 996.77 970.16 94.32 o 18 3 0 5012.90 5216.35 165.64 o 19 3 0 149.82 181.32 93.85 o 20 3 0 3771.03 4004.74 547.63 o 21 3 0 681.16 539.06 83.89 o 22 3 0 4505.13 3910.97 256.39 o 23 3 0 6837.35 7438.06 914.60 o 24 3 0 1023.64 571.33 273.40 o 25 3 0 2609.08 2294.82 359.78 o 26 3 0 202.84 313.98 251.44 o 0 4 0 28569.82 29468.77 1045.06 o 1 4 0 3307.01 3648.68 82.62 o 2 4 0 16403.21 16460.28 297.03 o 3 4 0 4904.61 5031.15 101.79 o 4 4 0 14206.26 14043.41 241.85 o 5 4 0 614.40 623.62 77.90 o 6 4 0 16295.54 16702.96 337.40 o 7 4 0 3753.97 3900.33 131.86 o 8 4 0 1761.07 1662.24 93.85 o 9 4 0 6254.68 6460.08 366.50 o 10 4 0 92.77 89.41 19.91 o 11 4 0 1824.51 1887.11 62.21 o 12 4 0 562.89 512.72 99.10 o 13 4 0 12.31 4.05 74.81 o 14 4 0 6061.51 5692.95 314.89 o 15 4 0 247.86 95.95 125.35 o 16 4 0 9370.66 9388.60 486.00 o 17 4 0 87.25 -38.34 161.42 o 18 4 0 3807.29 4046.09 415.77 o 19 4 0 1337.39 1390.90 230.65 o 20 4 0 5773.32 5569.18 390.86 o 21 4 0 472.39 590.64 199.11 o 22 4 0 1677.46 1400.24 303.77 o 23 4 0 474.99 658.85 283.44 o 24 4 0 389.26 581.89 327.55 o 25 4 0 1039.11 1209.77 498.36 o 26 4 0 679.22 694.51 495.55 o 1 5 0 900.06 994.44 51.75 o 2 5 0 315.32 318.38 36.47 o 3 5 0 1750.73 1719.53 64.29 o 4 5 0 5012.53 4995.26 106.51 o 5 5 0 13308.85 12792.77 263.44 o 6 5 0 113.63 111.67 32.48 o 7 5 0 5325.23 5238.29 147.63 o 8 5 0 4699.54 3226.23 2301.28 o 9 5 0 10444.49 10591.06 392.78 o 10 5 0 37.35 28.88 26.97 o 11 5 0 6748.90 6676.80 152.00 o 12 5 0 171.78 90.74 139.84 o 13 5 0 1652.06 2007.97 171.53 o 14 5 0 3.24 -148.94 99.29 o 15 5 0 250.24 253.87 103.25 o 16 5 0 779.75 600.58 145.44 o 17 5 0 516.50 386.69 167.66 o 18 5 0 31.57 -67.18 148.45 o 19 5 0 53.12 257.69 225.64 o 20 5 0 1516.89 1302.64 237.17 o 21 5 0 1168.82 1071.43 239.60 o 22 5 0 398.79 180.62 221.90 o 23 5 0 567.29 639.14 318.16 o 24 5 0 845.11 985.46 486.16 o 25 5 0 1636.12 1136.56 424.22 o 0 6 0 85608.20 83889.66 2564.53 o 1 6 0 102.86 81.04 99.02 o 2 6 0 47487.79 46090.21 923.50 o 3 6 0 75.98 28.29 46.78 o 4 6 0 24034.80 23801.78 1073.68 o 5 6 0 1540.97 1581.13 65.35 o 6 6 0 26308.28 27293.14 576.73 o 7 6 0 36.09 53.43 36.29 o 8 6 0 68.59 39.77 42.89 o 9 6 0 2857.96 2828.74 144.53 o 10 6 0 2927.07 3031.32 128.58 o 11 6 0 1739.87 1811.93 87.15 o 12 6 0 1634.45 2004.31 170.02 o 13 6 0 3529.88 3877.56 420.46 o 14 6 0 12330.83 12059.06 434.47 o 15 6 0 2538.02 2203.89 233.76 o 16 6 0 10508.37 11780.20 2066.18 o 17 6 0 396.50 282.94 221.96 o 18 6 0 12020.93 11674.37 1028.63 o 19 6 0 4.01 303.94 246.02 o 20 6 0 9145.72 9466.73 529.93 o 21 6 0 729.59 486.32 231.77 o 22 6 0 5941.48 5751.05 521.91 o 23 6 0 908.56 1139.18 331.24 o 24 6 0 1886.87 1398.41 420.46 o 1 7 0 1053.11 993.99 77.87 o 2 7 0 13.34 18.77 66.36 o 3 7 0 3892.33 3671.49 143.24 o 4 7 0 1781.94 2033.92 95.54 o 5 7 0 7438.88 7109.51 424.69 o 6 7 0 21.14 59.44 84.47 o 7 7 0 8602.87 8979.01 304.63 o 8 7 0 498.94 400.80 80.24 o 9 7 0 8166.44 8585.34 259.89 o 10 7 0 2246.20 2060.34 144.47 o 11 7 0 7952.08 8207.25 374.47 o 12 7 0 5157.56 5477.15 303.62 o 13 7 0 4425.50 4572.59 325.20 o 14 7 0 878.64 886.45 193.02 o 15 7 0 2119.92 2166.09 203.00 o 16 7 0 2855.08 2979.26 213.51 o 17 7 0 303.89 503.19 159.75 o 18 7 0 935.16 935.09 559.84 o 19 7 0 6.91 127.63 244.02 o 20 7 0 242.98 117.22 193.37 o 21 7 0 69.64 148.48 376.35 o 22 7 0 879.23 724.56 302.75 o 0 8 0 4792.42 4291.36 269.36 o 1 8 0 3608.52 3384.85 139.40 o 2 8 0 4452.54 4260.60 305.02 o 3 8 0 1244.87 1382.40 96.27 o 4 8 0 2592.81 2627.86 168.00 o 5 8 0 190.72 81.52 69.45 o 6 8 0 380.54 462.55 92.72 o 7 8 0 394.77 284.03 72.10 o 8 8 0 986.57 1034.07 179.82 o 9 8 0 639.58 588.22 146.01 o 10 8 0 191.41 40.53 118.31 o 11 8 0 114.91 50.82 125.32 o 12 8 0 563.93 836.46 162.48 o 13 8 0 645.55 138.66 214.92 o 14 8 0 2038.98 2258.68 358.52 o 15 8 0 876.40 1177.15 190.88 o 16 8 0 1812.76 2030.27 270.01 o 17 8 0 484.42 208.48 221.70 o 18 8 0 1650.22 1958.14 511.97 o 19 8 0 231.89 276.04 251.26 o 20 8 0 652.66 589.23 411.12 o 21 8 0 50.66 -289.07 262.76 o 1 9 0 771.40 763.88 122.38 o 2 9 0 0.96 84.82 78.81 o 3 9 0 5829.75 5697.67 424.69 o 4 9 0 625.39 639.88 101.74 o 5 9 0 10001.36 10704.91 580.95 o 6 9 0 500.06 568.01 142.44 o 7 9 0 12562.95 15114.21 887.38 o 8 9 0 217.03 53.04 135.50 o 9 9 0 17281.81 17893.04 700.99 o 10 9 0 0.10 -110.13 139.70 o 11 9 0 11913.94 12055.92 1626.48 o 12 9 0 188.26 239.01 205.51 o 13 9 0 7773.07 8276.43 1142.19 o 14 9 0 1684.79 1658.66 234.70 o 15 9 0 2940.55 3461.59 340.04 o 16 9 0 982.44 843.70 297.52 o 17 9 0 90.50 174.72 186.88 o 18 9 0 961.20 856.81 255.22 o 19 9 0 8.28 -158.50 278.51 o 0 10 0 5854.04 6266.87 422.67 o 1 10 0 184.06 321.62 169.87 o 2 10 0 8073.83 7652.95 487.10 o 3 10 0 626.32 625.34 135.26 o 4 10 0 4871.96 5657.58 325.43 o 5 10 0 1695.72 1774.84 350.07 o 6 10 0 2759.12 3272.87 254.67 o 7 10 0 73.81 186.52 144.66 o 8 10 0 767.37 653.81 173.14 o 9 10 0 725.02 552.21 221.99 o 10 10 0 157.60 185.63 226.55 o 11 10 0 17.13 -99.42 166.87 o 12 10 0 238.05 256.81 192.12 o 13 10 0 21.31 49.59 199.24 o 14 10 0 1780.11 1434.22 330.36 o 15 10 0 4.04 110.85 204.39 o 16 10 0 893.51 560.63 275.35 o 1 11 0 99.40 169.13 210.23 o 2 11 0 52.27 21.88 171.29 o 3 11 0 341.60 61.58 117.32 o 4 11 0 271.65 406.81 480.53 o 5 11 0 1036.58 1001.50 393.25 o 6 11 0 1754.08 2500.72 324.95 o 7 11 0 1052.37 1055.70 318.16 o 8 11 0 304.42 523.86 379.17 o 9 11 0 642.14 957.88 250.13 o 10 11 0 1929.71 2081.41 276.23 o 11 11 0 823.68 616.75 204.39 o 12 11 0 229.83 136.59 248.49 o 13 11 0 98.34 264.41 258.30 o 0 12 0 10137.06 10678.16 1518.08 o 1 12 0 43.71 53.95 159.55 o 2 12 0 6757.23 6656.85 635.32 o 3 12 0 9.66 21.86 236.43 o 4 12 0 4646.29 4005.82 488.41 o 5 12 0 13.90 -163.93 238.51 o 6 12 0 1882.67 1713.12 311.19 o 7 12 0 139.67 -37.54 299.39 o 8 12 0 112.62 166.22 354.21 o -27 1 1 4182.75 4034.01 395.12 o -26 1 1 1408.45 1215.67 164.55 o -25 1 1 3415.93 3679.91 260.61 o -24 1 1 2906.86 3165.85 273.11 o -23 1 1 336.77 549.75 400.28 o -22 1 1 3243.25 3727.61 505.40 o -21 1 1 1893.11 2029.40 183.95 o -20 1 1 7251.48 7200.82 309.72 o -19 1 1 36.63 120.68 53.64 o -18 1 1 1811.05 1804.35 95.81 o -17 1 1 6205.81 6003.06 165.74 o -16 1 1 2716.12 2767.72 104.17 o -15 1 1 14644.57 15000.01 330.32 o -14 1 1 2591.67 2684.81 88.93 o -13 1 1 33190.38 32833.54 603.99 o -12 1 1 675.25 612.41 89.63 o -11 1 1 64941.82 64781.16 1082.13 o -10 1 1 1488.82 1557.53 53.16 o -9 1 1 25338.88 24343.39 557.49 o -8 1 1 26.50 7.82 18.41 o -7 1 1 23109.77 22865.78 876.12 o -6 1 1 12.42 -9.39 15.62 o -5 1 1 68257.23 64962.70 1244.20 o -4 1 1 10569.72 10297.16 453.78 o 2 1 1 1716.23 1685.19 107.46 o 3 1 1 45155.65 41931.28 1000.04 o 4 1 1 3.81 39.11 23.46 o 5 1 1 34716.93 32854.74 521.62 o 6 1 1 99.65 58.02 32.85 o 7 1 1 34326.31 31912.32 536.45 o 8 1 1 243.37 271.25 20.23 o 9 1 1 39956.74 37359.98 584.69 o 10 1 1 831.50 829.95 29.26 o 11 1 1 48296.21 47249.73 839.00 o 12 1 1 251.74 289.37 97.61 o 13 1 1 21191.05 20811.43 382.36 o 14 1 1 3934.89 4045.03 123.89 o 15 1 1 2183.88 2169.54 75.77 o 16 1 1 811.59 715.70 55.84 o 17 1 1 348.85 274.72 80.24 o 18 1 1 2278.30 2414.01 114.39 o 19 1 1 325.18 459.71 118.26 o 20 1 1 2899.83 2813.34 158.29 o 21 1 1 2848.49 2638.46 343.97 o 22 1 1 1746.83 1889.17 166.38 o 23 1 1 2830.67 3182.82 272.17 o 24 1 1 325.85 300.79 145.47 o 25 1 1 5063.39 5541.43 374.25 o 26 1 1 0.94 -124.14 381.51 o 27 1 1 5149.71 4945.61 373.06 o -27 2 1 3144.10 3373.34 293.87 o -26 2 1 235.15 170.37 199.79 o -25 2 1 852.34 891.98 274.05 o -24 2 1 3697.08 3587.07 247.60 o -23 2 1 477.32 502.16 110.43 o -22 2 1 8833.30 9740.98 385.10 o -21 2 1 358.27 367.99 91.82 o -20 2 1 12507.94 12632.04 405.62 o -19 2 1 473.36 503.06 122.01 o -18 2 1 16581.27 16571.26 394.20 o -17 2 1 916.02 822.40 138.90 o -16 2 1 6769.67 6787.00 179.72 o -15 2 1 1273.10 1220.61 90.57 o -14 2 1 8636.17 8383.83 170.22 o -13 2 1 5109.94 5115.08 230.41 o -12 2 1 284.12 213.55 31.94 o -11 2 1 2349.97 2289.02 66.69 o -10 2 1 19.70 22.17 29.54 o -9 2 1 110.95 103.75 26.55 o -8 2 1 39237.45 39385.47 611.51 o -7 2 1 3470.60 3500.10 166.12 o -6 2 1 70453.71 67409.76 1031.62 o -5 2 1 118.47 84.47 17.45 o -4 2 1 56754.61 54504.28 1829.20 o -3 2 1 130.28 145.07 23.00 o -2 2 1 155926.86 140108.97 12106.14 o -1 2 1 40.12 28.16 13.27 o 0 2 1 14976.72 14734.11 518.07 o 1 2 1 2981.08 3009.50 201.78 o 2 2 1 126475.16 111314.11 2695.14 o 3 2 1 16.90 0.00 66.36 o 4 2 1 38158.07 35002.90 865.33 o 5 2 1 2966.33 3154.18 78.55 o 6 2 1 17048.26 17692.54 326.48 o 7 2 1 1551.99 1669.02 83.06 o 8 2 1 538.54 545.25 18.91 o 9 2 1 17.96 46.55 22.99 o 10 2 1 7642.06 7696.02 153.80 o 11 2 1 2816.52 2725.75 76.02 o 12 2 1 9582.75 9422.48 219.16 o 13 2 1 373.17 294.62 42.70 o 14 2 1 20888.07 20201.45 510.56 o 15 2 1 192.38 90.14 31.39 o 16 2 1 12445.61 12582.15 336.76 o 17 2 1 422.70 309.45 141.72 o 18 2 1 28428.33 28830.40 710.68 o 19 2 1 12.62 -70.60 130.93 o 20 2 1 9701.28 10440.51 363.49 o 21 2 1 1182.68 1157.01 130.11 o 22 2 1 6822.48 7183.04 339.16 o 23 2 1 581.89 530.71 125.22 o 24 2 1 1175.38 1420.04 267.41 o 25 2 1 1252.62 1464.22 463.17 o 26 2 1 4.00 -234.42 185.50 o -27 3 1 0.48 46.93 263.73 o -26 3 1 1.51 -240.08 221.94 o -25 3 1 53.12 103.52 216.05 o -24 3 1 136.29 -51.36 207.86 o -23 3 1 135.97 201.69 105.49 o -22 3 1 24.41 1.68 79.82 o -21 3 1 63.27 102.98 136.09 o -20 3 1 649.19 472.31 87.26 o -19 3 1 173.94 151.27 71.76 o -18 3 1 308.70 178.05 54.22 o -17 3 1 124.84 110.51 79.78 o -16 3 1 1107.58 1106.96 84.16 o -15 3 1 74.84 35.69 36.47 o -14 3 1 198.23 106.91 70.86 o -13 3 1 5.72 22.49 31.39 o -12 3 1 628.02 738.17 45.53 o -11 3 1 99.40 87.85 51.15 o -10 3 1 420.50 451.88 40.76 o -9 3 1 696.94 715.95 122.01 o -8 3 1 418.82 339.52 33.85 o -7 3 1 711.86 736.85 36.72 o -6 3 1 6463.72 6705.93 238.86 o -5 3 1 117.39 105.38 23.93 o -4 3 1 181.87 184.13 38.01 o -3 3 1 1146.76 1254.48 100.42 o -2 3 1 10833.52 11284.88 195.21 o -1 3 1 5021.46 4899.14 95.89 o 0 3 1 604.49 665.45 29.67 o 1 3 1 3797.81 3874.27 76.98 o 2 3 1 489.25 571.33 55.84 o 3 3 1 6151.90 6426.71 130.20 o 4 3 1 2516.28 2518.81 60.66 o 5 3 1 236.80 257.24 19.91 o 6 3 1 2569.27 2772.05 64.79 o 7 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