#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/66/2206626.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_2206626_Fobs loop_ _publ_author_name 'Zhang, Yong' 'Tong, Hong-Bo' 'Liu, Dian-Sheng' 'Huang, Su-Ping' 'Zhou, Mei-Su' _publ_section_title ; Tetrachlorobis(dimethylamine)tin(IV) ; _journal_coeditor_code BR6205 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1697 _journal_page_last m1698 _journal_volume 61 _journal_year 2005 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 100.786 _cell_angle_gamma 90.000 _cell_length_a 6.3188 _cell_length_b 8.1533 _cell_length_c 11.5292 _exptl_crystal_F_000 340.00 _reflns_d_resolution_high 0.8408 _[local]_cod_data_source_file br6205Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' hs0572p in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 149.74 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -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 3891.37 4156.54 91.88 o 4 0 0 12427.50 12772.82 175.83 o 1 1 0 10335.54 10151.62 135.12 o 2 1 0 964.03 973.93 42.21 o 3 1 0 1818.52 1687.17 63.02 o 4 1 0 824.22 807.78 40.90 o 5 1 0 4164.13 4136.50 128.00 o 6 1 0 445.00 500.48 61.74 o 7 1 0 334.05 323.25 84.16 o 0 2 0 2331.66 2513.79 55.33 o 1 2 0 810.25 759.07 18.77 o 2 2 0 10687.90 11235.29 123.80 o 3 2 0 112.25 107.06 18.90 o 4 2 0 972.38 981.62 49.66 o 5 2 0 3.00 26.19 14.47 o 6 2 0 2953.97 2894.53 126.54 o 7 2 0 34.54 31.74 24.17 o 1 3 0 6875.28 6662.23 61.67 o 2 3 0 349.77 340.63 17.01 o 3 3 0 2151.11 2070.11 66.42 o 4 3 0 327.42 318.91 34.83 o 5 3 0 2612.51 2377.59 87.17 o 6 3 0 115.24 142.55 36.65 o 7 3 0 462.76 520.05 69.56 o 0 4 0 4515.02 4644.05 106.88 o 1 4 0 2411.20 2299.57 52.98 o 2 4 0 3138.92 3241.30 71.24 o 3 4 0 1010.42 948.02 46.70 o 4 4 0 2966.68 3018.86 93.74 o 5 4 0 146.36 192.73 42.01 o 6 4 0 492.19 478.47 97.27 o 1 5 0 2967.43 2786.97 66.41 o 2 5 0 25.89 43.60 14.80 o 3 5 0 3264.47 3008.01 123.31 o 4 5 0 51.60 65.38 26.92 o 5 5 0 667.87 629.19 75.72 o 6 5 0 25.96 63.22 34.95 o 0 6 0 2424.12 2558.35 100.47 o 1 6 0 47.94 37.88 13.55 o 2 6 0 2273.08 2144.19 80.04 o 3 6 0 162.06 170.75 40.91 o 4 6 0 1375.18 1170.27 95.66 o 5 6 0 225.34 329.46 58.24 o 1 7 0 1408.91 1297.25 64.54 o 2 7 0 68.54 109.20 22.51 o 3 7 0 2138.23 1987.29 116.43 o 4 7 0 126.37 159.65 45.08 o 5 7 0 415.04 471.64 74.47 o 0 8 0 162.89 264.13 45.43 o 1 8 0 509.32 467.24 48.74 o 2 8 0 2889.25 2845.11 141.59 o 3 8 0 409.01 388.99 64.73 o 4 8 0 317.95 443.72 69.98 o 1 9 0 700.89 853.45 86.59 o 2 9 0 10.31 30.60 53.44 o -5 0 1 2635.68 2658.53 150.27 o -3 0 1 2306.63 2225.04 65.75 o -1 0 1 12145.86 14691.63 154.93 o 1 0 1 10074.67 9681.21 293.84 o 3 0 1 2772.14 2684.78 68.78 o 5 0 1 3912.32 3613.14 124.06 o 7 0 1 204.49 311.60 85.62 o -7 1 1 234.14 198.90 62.03 o -6 1 1 1982.53 1940.19 97.53 o -5 1 1 460.74 479.06 52.95 o -4 1 1 2353.71 2501.65 72.79 o -3 1 1 502.32 501.07 25.36 o -2 1 1 5372.27 5587.65 68.18 o -1 1 1 15.21 48.09 8.16 o 0 1 1 16276.46 16450.02 190.31 o 1 1 1 6.69 20.32 6.24 o 2 1 1 829.32 841.33 20.14 o 3 1 1 142.13 142.94 11.86 o 4 1 1 7744.10 7478.58 106.50 o 5 1 1 210.02 212.64 38.37 o 6 1 1 273.46 275.87 51.16 o 7 1 1 186.16 177.06 42.42 o -7 2 1 629.86 702.90 78.55 o -6 2 1 11.93 36.98 28.54 o -5 2 1 3120.00 2982.38 147.30 o -4 2 1 112.59 82.23 24.26 o -3 2 1 1365.99 1407.69 66.80 o -2 2 1 225.05 266.17 21.40 o -1 2 1 18622.43 20834.92 134.98 o 0 2 1 305.52 350.63 12.21 o 1 2 1 1202.14 1096.08 35.98 o 2 2 1 46.67 46.19 12.71 o 3 2 1 6194.92 5883.13 106.62 o 4 2 1 63.07 83.50 15.79 o 5 2 1 1808.22 1612.78 92.11 o 6 2 1 179.55 204.36 40.83 o 7 2 1 439.25 442.98 66.36 o -7 3 1 1.24 8.15 32.03 o -6 3 1 3175.14 2996.14 131.35 o -5 3 1 0.00 24.96 14.72 o -4 3 1 379.95 406.88 37.94 o -3 3 1 121.34 126.54 20.55 o -2 3 1 11284.88 11545.84 98.85 o -1 3 1 1853.22 2112.57 67.13 o 0 3 1 2022.37 2012.49 44.14 o 1 3 1 3832.65 3901.58 50.43 o 2 3 1 7218.75 7123.49 76.22 o 3 3 1 2567.43 2443.04 74.54 o 4 3 1 1497.43 1373.91 60.23 o 5 3 1 1072.67 979.90 57.33 o 6 3 1 1533.22 1431.69 90.59 o -6 4 1 20.99 46.52 36.40 o -5 4 1 1114.18 1137.51 91.30 o -4 4 1 89.51 119.19 32.32 o -3 4 1 3360.77 3336.54 84.05 o -2 4 1 955.77 964.99 28.02 o -1 4 1 4587.55 5009.27 93.19 o 0 4 1 1758.87 1662.77 46.30 o 1 4 1 2876.20 2694.79 57.04 o 2 4 1 622.95 627.70 23.15 o 3 4 1 4129.02 3855.64 95.98 o 4 4 1 64.40 83.34 21.51 o 5 4 1 792.56 748.09 51.77 o 6 4 1 0.10 32.33 24.46 o -6 5 1 94.83 178.49 51.55 o -5 5 1 672.75 712.53 81.40 o -4 5 1 4909.09 4643.81 165.10 o -3 5 1 1123.94 1101.56 75.60 o -2 5 1 344.45 381.75 31.01 o -1 5 1 897.44 977.33 40.41 o 0 5 1 8620.04 8561.25 117.50 o 1 5 1 123.49 154.20 19.56 o 2 5 1 944.24 877.68 60.57 o 3 5 1 23.50 38.98 23.78 o 4 5 1 2952.12 2918.89 130.86 o 5 5 1 57.48 91.94 29.68 o 6 5 1 340.23 401.01 65.12 o -5 6 1 924.65 947.30 89.67 o -4 6 1 351.57 291.58 54.81 o -3 6 1 2820.56 2695.30 125.88 o -2 6 1 603.24 653.43 47.27 o -1 6 1 764.26 832.93 40.95 o 0 6 1 337.17 313.12 48.63 o 1 6 1 5306.56 5043.18 98.42 o 2 6 1 54.30 76.91 27.37 o 3 6 1 683.96 631.73 69.60 o 4 6 1 6.87 50.77 22.68 o 5 6 1 1228.07 1156.80 93.99 o -5 7 1 0.79 65.48 28.19 o -4 7 1 726.85 941.19 96.97 o -3 7 1 15.24 77.89 28.19 o -2 7 1 3266.02 3256.92 108.45 o -1 7 1 66.93 88.29 19.48 o 0 7 1 172.85 191.20 31.31 o 1 7 1 85.82 129.06 23.67 o 2 7 1 5452.89 5415.63 183.22 o 3 7 1 55.25 90.44 33.31 o 4 7 1 13.35 36.70 27.96 o -4 8 1 63.47 144.12 39.80 o -3 8 1 1546.96 1547.58 110.98 o -2 8 1 69.68 137.84 28.12 o -1 8 1 582.09 648.88 54.51 o 0 8 1 43.41 64.20 15.33 o 1 8 1 2098.03 2232.42 122.06 o 2 8 1 8.40 17.65 19.22 o 3 8 1 745.54 625.70 81.39 o 4 8 1 0.37 69.02 27.19 o -2 9 1 311.52 384.45 77.32 o -1 9 1 97.82 199.97 34.80 o 0 9 1 1417.41 1468.77 84.16 o 1 9 1 44.73 68.87 48.63 o 2 9 1 680.45 779.66 88.71 o -6 0 2 638.54 722.80 103.67 o -4 0 2 4707.46 4823.14 116.20 o -2 0 2 3642.48 3840.87 103.96 o 0 0 2 15387.44 16053.26 171.53 o 2 0 2 1644.90 1565.93 40.72 o 4 0 2 6936.69 6548.32 145.61 o 6 0 2 122.74 87.66 41.35 o -7 1 2 2099.00 2123.56 164.25 o -6 1 2 49.41 81.31 24.91 o -5 1 2 565.73 593.37 59.66 o -4 1 2 62.46 75.52 28.68 o -3 1 2 7746.25 7783.31 103.18 o -2 1 2 14.57 18.47 8.60 o -1 1 2 7733.02 8168.61 236.47 o 0 1 2 85.00 73.57 7.01 o 1 1 2 2404.91 2340.68 36.08 o 2 1 2 21.79 28.71 7.02 o 3 1 2 8212.01 7932.37 73.82 o 4 1 2 11.87 32.09 13.17 o 5 1 2 741.03 713.95 67.27 o 6 1 2 13.94 44.51 20.77 o 7 1 2 908.28 903.26 94.20 o -7 2 2 12.42 92.02 42.52 o -6 2 2 3450.94 3336.88 134.58 o -5 2 2 285.54 255.64 41.91 o -4 2 2 50.37 48.56 21.02 o -3 2 2 1577.35 1555.76 57.81 o -2 2 2 22421.23 25211.19 178.25 o -1 2 2 5035.86 5347.71 67.95 o 0 2 2 16.18 23.71 6.08 o 1 2 2 2862.65 2916.85 42.03 o 2 2 2 13222.04 13573.46 99.43 o 3 2 2 383.24 431.64 22.66 o 4 2 2 1158.47 1078.98 46.38 o 5 2 2 11.80 34.81 16.89 o 6 2 2 1277.40 1205.18 87.18 o -7 3 2 481.78 453.43 93.48 o -6 3 2 369.85 427.80 89.40 o -5 3 2 2761.10 2787.05 119.45 o -4 3 2 413.83 527.47 56.70 o -3 3 2 1361.64 1248.66 69.73 o -2 3 2 46.10 66.86 14.30 o -1 3 2 11712.26 11947.28 176.19 o 0 3 2 177.92 209.96 12.52 o 1 3 2 1844.08 1767.06 41.21 o 2 3 2 645.91 617.37 25.99 o 3 3 2 5335.74 4941.93 107.88 o 4 3 2 346.57 346.54 40.22 o 5 3 2 890.23 877.91 46.77 o 6 3 2 66.48 105.36 24.98 o -6 4 2 577.58 807.10 77.88 o -5 4 2 2.49 59.15 23.88 o -4 4 2 3215.60 3270.61 163.66 o -3 4 2 56.56 67.69 23.67 o -2 4 2 2440.95 2748.01 63.67 o -1 4 2 7.66 21.89 8.91 o 0 4 2 5988.26 5922.02 99.31 o 1 4 2 139.62 169.62 15.01 o 2 4 2 1667.52 1600.60 44.78 o 3 4 2 561.78 566.83 41.82 o 4 4 2 3455.23 3463.88 103.71 o 5 4 2 722.17 700.37 45.93 o 6 4 2 281.17 390.23 62.32 o -6 5 2 71.95 115.11 66.69 o -5 5 2 883.65 990.72 87.54 o -4 5 2 20.18 65.76 25.33 o -3 5 2 3400.81 3268.55 158.13 o -2 5 2 171.89 208.16 23.32 o -1 5 2 1385.91 1331.39 49.32 o 0 5 2 1114.46 1084.95 43.03 o 1 5 2 5945.31 5425.38 159.73 o 2 5 2 1458.32 1251.31 75.47 o 3 5 2 947.20 859.43 68.04 o 4 5 2 743.78 695.92 72.43 o 5 5 2 1515.23 1508.57 103.24 o 6 5 2 156.46 192.66 34.88 o -5 6 2 351.51 368.53 62.78 o -4 6 2 2401.63 2341.68 124.87 o -3 6 2 830.33 830.63 78.94 o -2 6 2 747.93 820.05 51.15 o -1 6 2 1070.78 917.86 43.88 o 0 6 2 4036.69 3921.09 88.23 o 1 6 2 868.24 829.15 39.84 o 2 6 2 1960.59 1566.95 92.55 o 3 6 2 350.73 354.91 57.84 o 4 6 2 564.41 607.01 72.96 o 5 6 2 109.13 142.83 38.50 o -5 7 2 1432.10 1541.08 113.33 o -4 7 2 0.56 52.35 26.94 o -3 7 2 977.35 1022.48 64.86 o -2 7 2 2.61 46.33 21.26 o -1 7 2 1466.27 1382.44 57.79 o 0 7 2 6.21 20.70 15.87 o 1 7 2 2625.44 2507.21 121.18 o 2 7 2 5.48 33.15 32.62 o 3 7 2 555.09 644.43 77.43 o 4 7 2 7.62 38.58 22.14 o -4 8 2 960.76 1003.12 94.61 o -3 8 2 163.69 189.23 55.48 o -2 8 2 790.45 932.24 63.33 o -1 8 2 213.75 271.23 38.40 o 0 8 2 1563.20 1597.04 66.21 o 1 8 2 180.88 231.07 48.05 o 2 8 2 1295.59 1140.13 89.31 o 3 8 2 143.41 230.29 68.58 o -2 9 2 15.62 91.26 19.95 o -1 9 2 678.00 755.73 88.82 o 0 9 2 43.33 107.83 32.17 o 1 9 2 1411.57 1550.66 107.99 o 2 9 2 32.17 155.84 105.42 o -7 0 3 2025.45 1874.28 156.09 o -5 0 3 160.88 185.51 54.46 o -3 0 3 15624.93 17625.65 281.02 o -1 0 3 41.43 36.11 18.93 o 1 0 3 16192.04 16872.13 123.20 o 3 0 3 2788.05 2669.24 97.12 o 5 0 3 889.06 885.30 100.18 o -7 1 3 35.91 91.03 28.26 o -6 1 3 578.85 580.71 66.05 o -5 1 3 132.67 110.70 24.98 o -4 1 3 3703.91 3777.08 86.65 o -3 1 3 672.81 695.90 35.40 o -2 1 3 9288.10 9769.55 237.63 o -1 1 3 2555.40 2959.10 60.86 o 0 1 3 1289.82 1252.35 29.02 o 1 1 3 3964.58 4074.56 53.50 o 2 1 3 10988.26 11400.63 97.19 o 3 1 3 2306.09 2181.67 39.92 o 4 1 3 1085.01 1157.27 50.37 o 5 1 3 988.96 947.07 72.11 o 6 1 3 1117.17 1038.40 81.55 o -7 2 3 598.95 670.67 113.57 o -6 2 3 31.85 40.12 23.02 o -5 2 3 1925.79 1983.82 115.61 o -4 2 3 285.18 323.42 43.73 o -3 2 3 4125.81 4674.84 90.95 o -2 2 3 521.14 541.96 31.99 o -1 2 3 6161.50 6215.39 81.32 o 0 2 3 5.58 9.48 5.80 o 1 2 3 3324.59 3260.60 51.62 o 2 2 3 118.17 137.05 14.38 o 3 2 3 6100.33 5968.31 100.88 o 4 2 3 212.18 271.40 29.35 o 5 2 3 494.72 558.82 50.05 o 6 2 3 119.07 146.56 39.46 o -7 3 3 251.34 332.86 89.99 o -6 3 3 1543.94 1621.21 153.18 o -5 3 3 371.41 438.76 58.12 o -4 3 3 1540.06 1632.79 86.48 o -3 3 3 175.37 223.87 25.17 o -2 3 3 6563.39 6881.85 112.36 o -1 3 3 23.09 63.02 25.19 o 0 3 3 2103.16 2161.43 39.54 o 1 3 3 45.60 72.92 8.84 o 2 3 3 7535.87 7363.87 119.37 o 3 3 3 7.91 26.25 11.90 o 4 3 3 712.19 697.12 40.85 o 5 3 3 18.45 38.73 20.46 o 6 3 3 1558.85 1540.44 102.02 o -6 4 3 292.19 399.73 61.54 o -5 4 3 865.69 871.30 76.58 o -4 4 3 763.09 693.87 64.67 o -3 4 3 3710.32 3922.43 143.42 o -2 4 3 946.59 870.01 38.18 o -1 4 3 3564.73 3543.23 109.64 o 0 4 3 452.44 475.30 19.84 o 1 4 3 3650.61 3321.70 106.22 o 2 4 3 0.00 19.42 9.28 o 3 4 3 2202.54 1971.29 63.89 o 4 4 3 150.16 168.75 24.64 o 5 4 3 1220.22 1214.39 58.26 o 6 4 3 180.44 237.50 46.10 o -6 5 3 391.11 573.91 77.27 o -5 5 3 9.88 56.08 27.67 o -4 5 3 3412.44 3331.51 140.82 o -3 5 3 290.40 343.76 51.20 o -2 5 3 534.75 502.87 33.23 o -1 5 3 1004.18 1002.03 66.98 o 0 5 3 8092.59 8505.79 137.10 o 1 5 3 1166.99 1151.95 43.04 o 2 5 3 347.05 374.88 37.68 o 3 5 3 449.65 505.54 42.11 o 4 5 3 3230.04 3301.88 112.15 o 5 5 3 61.04 131.14 27.19 o -5 6 3 1593.35 1507.36 107.08 o -4 6 3 0.51 31.01 20.45 o -3 6 3 955.50 958.28 74.90 o -2 6 3 3.24 40.04 13.93 o -1 6 3 2745.86 2491.21 73.54 o 0 6 3 9.50 37.87 11.19 o 1 6 3 2570.88 2298.32 85.10 o 2 6 3 2.28 12.29 15.65 o 3 6 3 756.87 684.69 76.17 o 4 6 3 24.33 59.82 24.41 o 5 6 3 1406.76 1375.70 101.06 o -5 7 3 26.15 90.67 43.68 o -4 7 3 144.80 192.22 45.89 o -3 7 3 1.80 14.77 30.58 o -2 7 3 3155.39 2977.13 105.27 o -1 7 3 13.09 41.99 13.37 o 0 7 3 936.89 915.19 46.21 o 1 7 3 79.38 84.86 29.13 o 2 7 3 1833.00 1521.36 99.45 o 3 7 3 102.09 103.53 34.91 o 4 7 3 534.29 544.39 77.47 o -4 8 3 117.57 201.21 47.26 o -3 8 3 143.33 192.13 50.24 o -2 8 3 82.07 165.46 31.24 o -1 8 3 2651.21 2502.05 201.52 o 0 8 3 53.23 76.97 22.36 o 1 8 3 676.72 700.59 78.83 o 2 8 3 12.41 53.48 35.38 o 3 8 3 741.05 702.08 86.40 o -2 9 3 124.10 184.17 34.90 o -1 9 3 111.14 223.36 45.14 o 0 9 3 2779.75 2840.73 143.62 o 1 9 3 124.70 200.70 46.23 o -6 0 4 19.04 45.14 30.29 o -4 0 4 11769.75 12933.26 271.41 o -2 0 4 29.50 40.19 22.71 o 0 0 4 19124.26 20568.85 205.47 o 2 0 4 2724.25 2705.07 60.50 o 4 0 4 1585.77 1326.50 112.70 o 6 0 4 1390.31 1045.76 119.40 o -7 1 4 701.69 674.12 76.15 o -6 1 4 384.66 453.15 63.14 o -5 1 4 1575.42 1544.87 85.46 o -4 1 4 285.20 325.59 31.85 o -3 1 4 7147.91 6660.06 111.95 o -2 1 4 48.95 38.68 16.51 o -1 1 4 1514.14 1415.51 66.11 o 0 1 4 77.16 76.40 11.18 o 1 1 4 11604.99 12020.19 139.05 o 2 1 4 62.82 89.85 12.62 o 3 1 4 1318.37 1286.47 38.72 o 4 1 4 2.01 10.90 12.65 o 5 1 4 1674.97 1410.31 125.08 o 6 1 4 12.59 61.82 25.53 o -7 2 4 14.64 51.00 24.29 o -6 2 4 1472.14 1402.50 133.96 o -5 2 4 45.39 50.04 25.88 o -4 2 4 2156.94 2477.44 111.25 o -3 2 4 6.76 26.61 13.98 o -2 2 4 6668.37 6818.63 112.31 o -1 2 4 84.64 87.13 14.06 o 0 2 4 1734.89 1756.37 37.26 o 1 2 4 477.43 481.33 29.17 o 2 2 4 8779.53 9032.03 99.18 o 3 2 4 761.42 739.88 37.38 o 4 2 4 252.42 295.64 30.83 o 5 2 4 444.85 443.03 62.48 o 6 2 4 2442.50 2364.84 131.36 o -7 3 4 223.85 286.27 83.58 o -6 3 4 9.37 28.70 26.12 o -5 3 4 2969.53 3036.84 133.43 o -4 3 4 206.75 185.15 41.21 o -3 3 4 1936.18 1979.57 89.55 o -2 3 4 1127.60 1121.39 50.96 o -1 3 4 4378.44 4520.56 188.56 o 0 3 4 2330.22 2398.53 70.17 o 1 3 4 4824.39 4571.42 52.84 o 2 3 4 1090.09 1008.69 35.58 o 3 3 4 1931.15 1718.30 59.28 o 4 3 4 213.71 211.53 27.55 o 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