#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/52/2205223.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_2205223_Fobs loop_ _publ_author_name 'Zhang, Hui' 'Fang, Liang' 'Dronskowski, Richard' 'Kruse, Klaus' 'Yuan, Runzhang' _publ_section_title ; Bis(imidazolium) hexachlorostannate(IV) ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m543 _journal_page_last m544 _journal_volume 61 _journal_year 2005 _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 98.156 _cell_angle_gamma 90.000 _cell_length_a 7.4650 _cell_length_b 8.0670 _cell_length_c 12.4110 _exptl_crystal_F_000 452.00 _reflns_d_resolution_high 0.7500 _[local]_cod_data_source_file bv6013Isup2.hkl _[local]_cod_data_source_block I 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 1 0 0 8808.33 9180.84 197.51 o 2 0 0 17187.75 17078.43 265.54 o 3 0 0 26514.11 26254.53 562.42 o 4 0 0 3246.50 3592.42 58.48 o 5 0 0 754.31 782.31 15.86 o 6 0 0 2421.12 2402.31 54.45 o 7 0 0 3698.13 3817.62 64.37 o 8 0 0 208.10 227.96 10.65 o 9 0 0 2020.09 1930.82 73.99 o 1 1 0 0.46 1.06 0.42 o 2 1 0 603.29 642.89 8.18 o 3 1 0 1163.25 1180.64 14.51 o 4 1 0 25.78 24.79 2.14 o 5 1 0 698.42 726.53 13.73 o 6 1 0 221.88 213.29 5.47 o 7 1 0 140.36 147.81 4.79 o 8 1 0 107.21 108.23 6.93 o 9 1 0 155.16 145.86 8.35 o 0 2 0 30222.20 29275.27 685.15 o 1 2 0 2719.35 2586.84 29.26 o 2 2 0 274.31 235.22 3.88 o 3 2 0 5007.56 5165.32 58.17 o 4 2 0 381.60 415.62 6.80 o 5 2 0 350.18 345.88 6.63 o 6 2 0 740.20 768.56 13.30 o 7 2 0 1274.35 1240.96 24.83 o 8 2 0 30.15 38.44 6.00 o 9 2 0 1291.60 1295.87 27.89 o 1 3 0 263.92 259.70 4.10 o 2 3 0 213.74 197.94 3.58 o 3 3 0 391.18 412.82 6.75 o 4 3 0 698.63 731.38 10.34 o 5 3 0 1.63 2.53 2.11 o 6 3 0 25.15 26.41 3.53 o 7 3 0 559.90 564.35 13.13 o 8 3 0 172.07 171.15 7.40 o 9 3 0 9.82 9.67 5.52 o 0 4 0 17417.55 17763.36 276.73 o 1 4 0 11893.39 12484.48 138.01 o 2 4 0 2572.20 2539.88 29.57 o 3 4 0 8459.26 8879.72 106.40 o 4 4 0 2352.11 2446.33 32.34 o 5 4 0 87.63 98.21 4.83 o 6 4 0 2086.79 2051.93 36.36 o 7 4 0 1276.12 1230.23 22.98 o 8 4 0 320.99 329.90 19.02 o 9 4 0 1074.73 1102.21 29.79 o 1 5 0 232.57 230.46 4.56 o 2 5 0 1127.09 1101.56 14.20 o 3 5 0 267.31 277.46 5.92 o 4 5 0 0.95 0.99 2.77 o 5 5 0 0.55 -0.16 2.82 o 6 5 0 206.16 195.40 7.65 o 7 5 0 360.30 310.78 23.23 o 8 5 0 35.08 49.04 5.94 o 0 6 0 8234.06 8438.63 134.01 o 1 6 0 3722.30 3764.89 50.20 o 2 6 0 2168.80 2138.47 27.89 o 3 6 0 3731.42 3740.39 50.77 o 4 6 0 1213.38 1197.10 19.34 o 5 6 0 318.14 326.45 9.48 o 6 6 0 1171.60 1096.64 33.09 o 7 6 0 720.18 753.64 19.03 o 8 6 0 329.84 333.24 12.43 o 1 7 0 245.83 231.21 5.76 o 2 7 0 1442.78 1441.17 22.11 o 3 7 0 114.46 120.04 5.18 o 4 7 0 26.81 25.57 3.63 o 5 7 0 56.42 58.39 5.02 o 6 7 0 146.32 144.34 8.35 o 7 7 0 62.06 66.22 6.78 o 0 8 0 1384.37 1372.35 30.21 o 1 8 0 439.35 415.19 10.07 o 2 8 0 434.88 437.52 9.65 o 3 8 0 561.24 555.62 11.57 o 4 8 0 262.16 286.64 8.12 o 5 8 0 108.23 128.75 8.00 o 6 8 0 314.66 320.77 12.32 o 1 9 0 129.97 115.35 5.97 o 2 9 0 190.25 195.90 7.41 o 3 9 0 31.23 47.34 4.27 o 4 9 0 219.57 235.02 10.06 o 5 9 0 0.18 1.72 4.53 o 0 10 0 1831.45 1770.50 48.32 o 1 10 0 1769.60 1736.25 33.72 o 2 10 0 1494.15 1491.57 34.38 o 3 10 0 1314.67 1361.12 33.45 o -9 1 1 1362.94 1374.48 28.92 o -8 1 1 1337.37 1243.60 46.72 o -7 1 1 2912.54 2870.24 37.80 o -6 1 1 3202.99 3286.51 39.09 o -5 1 1 39.06 48.88 4.60 o -4 1 1 3197.86 3437.22 39.66 o -3 1 1 865.18 828.95 10.65 o -2 1 1 787.90 928.66 11.28 o -1 1 1 16827.57 15943.92 232.74 o 0 1 1 8634.15 8976.79 99.07 o 1 1 1 9328.72 9261.66 109.18 o 2 1 1 10551.56 10869.33 119.94 o 3 1 1 20600.73 20734.27 228.32 o 4 1 1 1381.75 1335.23 16.80 o 5 1 1 664.05 739.43 10.89 o 6 1 1 3027.10 3010.64 40.20 o 7 1 1 64.75 67.92 3.75 o 8 1 1 8.92 14.76 3.21 o 9 1 1 1193.13 1083.25 31.03 o -9 2 1 0.77 -4.35 4.35 o -8 2 1 101.15 120.67 7.50 o -7 2 1 296.13 262.44 7.63 o -6 2 1 7.51 8.32 2.39 o -5 2 1 548.80 561.36 9.86 o -4 2 1 96.77 81.34 3.14 o -3 2 1 15.93 12.59 1.53 o -2 2 1 127.57 107.33 2.18 o -1 2 1 84.48 78.48 2.13 o 0 2 1 1243.38 1280.66 14.97 o 1 2 1 220.73 225.82 3.64 o 2 2 1 55.96 57.51 1.95 o 3 2 1 228.91 229.65 4.32 o 4 2 1 30.87 26.33 2.30 o 5 2 1 0.07 -0.91 2.18 o 6 2 1 20.73 19.31 2.87 o 7 2 1 237.46 249.01 10.84 o 8 2 1 38.70 43.13 4.64 o 9 2 1 37.43 39.27 6.84 o -9 3 1 1601.67 1556.50 32.50 o -8 3 1 1244.35 1203.32 22.71 o -7 3 1 4809.88 4812.91 71.92 o -6 3 1 2870.18 2847.20 44.05 o -5 3 1 1375.54 1309.65 53.94 o -4 3 1 4744.56 4683.89 53.50 o -3 3 1 4313.56 4246.34 48.29 o -2 3 1 3642.09 3716.07 48.85 o -1 3 1 10315.08 10520.92 116.38 o 0 3 1 29838.88 29517.71 346.21 o 1 3 1 9375.43 9920.86 109.79 o 2 3 1 16290.33 16494.20 181.96 o 3 3 1 22700.49 23217.86 255.33 o 4 3 1 3179.51 3068.64 73.25 o 5 3 1 1907.17 1945.49 26.07 o 6 3 1 4010.56 3953.81 54.06 o 7 3 1 256.32 263.57 8.63 o 8 3 1 135.01 157.38 15.43 o 9 3 1 1098.23 1047.66 31.39 o -9 4 1 289.42 296.40 14.14 o -8 4 1 26.10 26.53 4.44 o -7 4 1 4.05 6.94 3.72 o -6 4 1 253.78 233.18 8.00 o -5 4 1 3.85 6.45 2.38 o -4 4 1 0.07 3.20 2.31 o -3 4 1 593.48 589.65 10.07 o -2 4 1 162.36 141.63 3.66 o -1 4 1 130.15 134.51 3.07 o 0 4 1 97.27 83.36 2.76 o 1 4 1 416.82 420.59 6.26 o 2 4 1 1590.84 1635.32 21.26 o 3 4 1 339.75 311.47 5.45 o 4 4 1 75.52 84.59 3.70 o 5 4 1 1982.18 1982.37 29.16 o 6 4 1 239.47 241.52 8.48 o 7 4 1 40.92 29.57 4.39 o 8 4 1 169.14 184.92 8.88 o 9 4 1 92.94 87.44 9.03 o -8 5 1 315.26 315.79 11.08 o -7 5 1 1406.97 1321.60 24.74 o -6 5 1 487.87 500.29 12.20 o -5 5 1 15.69 29.66 3.96 o -4 5 1 274.33 291.83 8.07 o -3 5 1 211.38 195.66 5.03 o -2 5 1 13.66 11.69 2.12 o -1 5 1 525.60 513.65 8.18 o 0 5 1 3211.69 3359.49 38.83 o 1 5 1 402.26 400.28 6.46 o 2 5 1 2178.81 2224.29 26.53 o 3 5 1 3507.66 3558.64 48.05 o 4 5 1 452.53 434.31 12.25 o 5 5 1 187.97 187.16 6.36 o 6 5 1 967.58 934.98 42.47 o 7 5 1 96.24 100.93 6.91 o 8 5 1 33.11 33.15 5.39 o -8 6 1 160.20 140.55 8.67 o -7 6 1 515.24 514.70 13.36 o -6 6 1 95.74 101.56 6.19 o -5 6 1 260.99 242.86 8.13 o -4 6 1 1140.54 1129.92 22.47 o -3 6 1 341.77 297.93 18.72 o -2 6 1 3.12 5.08 2.26 o -1 6 1 15.56 18.24 2.06 o 0 6 1 458.40 422.47 7.13 o 1 6 1 649.57 636.19 9.44 o 2 6 1 54.77 62.95 3.77 o 3 6 1 2.15 8.31 2.90 o 4 6 1 551.04 525.69 11.02 o 5 6 1 216.18 194.40 7.87 o 6 6 1 78.48 81.56 6.53 o 7 6 1 453.00 492.72 14.72 o 8 6 1 52.31 51.08 7.63 o -7 7 1 1435.59 1393.54 30.04 o -6 7 1 1676.48 1704.15 30.46 o -5 7 1 957.84 1010.21 19.94 o -4 7 1 2298.97 2355.52 34.52 o -3 7 1 2722.62 2806.46 39.68 o -2 7 1 1874.23 1882.46 27.60 o -1 7 1 4462.44 4557.38 56.47 o 0 7 1 5311.55 5420.03 66.41 o 1 7 1 4052.75 4134.17 55.68 o 2 7 1 4361.53 4408.66 59.43 o 3 7 1 4926.37 4965.33 66.78 o 4 7 1 1906.56 1904.97 31.71 o 5 7 1 1388.08 1345.56 28.04 o 6 7 1 1283.18 1321.85 28.37 o 7 7 1 508.59 500.82 15.58 o -6 8 1 129.47 118.03 8.32 o -5 8 1 0.87 4.80 3.48 o -4 8 1 157.07 158.39 7.03 o -3 8 1 508.18 490.31 10.69 o -2 8 1 63.58 75.04 4.41 o -1 8 1 8.59 8.83 2.70 o 0 8 1 350.03 341.82 10.37 o 1 8 1 23.77 23.73 3.55 o 2 8 1 260.03 259.73 7.28 o 3 8 1 157.68 171.22 6.23 o 4 8 1 13.89 12.37 4.51 o 5 8 1 567.33 626.10 17.04 o 6 8 1 206.41 200.70 10.21 o -5 9 1 244.90 272.19 11.70 o -4 9 1 278.71 291.53 11.34 o -3 9 1 397.00 399.16 10.92 o -2 9 1 272.26 269.84 9.43 o -1 9 1 492.63 492.73 13.38 o 0 9 1 657.58 645.97 15.89 o 1 9 1 577.00 534.94 12.45 o 2 9 1 600.95 602.17 13.63 o 3 9 1 734.92 745.42 16.28 o 4 9 1 414.21 399.24 20.96 o 5 9 1 302.50 296.26 12.69 o -3 10 1 31.28 43.96 7.60 o -2 10 1 70.05 84.66 7.24 o -1 10 1 17.69 22.38 5.04 o 0 10 1 115.71 137.26 8.60 o 1 10 1 116.79 118.33 7.39 o 2 10 1 110.29 114.91 7.60 o 3 10 1 0.00 2.29 4.66 o -9 0 2 1015.27 1025.26 77.33 o -8 0 2 1538.31 1580.14 42.05 o -7 0 2 9494.87 9694.04 180.36 o -6 0 2 6707.42 6620.71 106.77 o -5 0 2 6709.50 6976.31 111.43 o -4 0 2 11513.49 11383.46 178.84 o -3 0 2 11786.18 12059.78 188.61 o -2 0 2 2288.61 2397.00 39.27 o -1 0 2 11353.67 11062.69 158.12 o 0 0 2 15439.75 14305.88 222.56 o 1 0 2 13791.08 13475.27 249.00 o 2 0 2 22389.93 21552.44 334.86 o 3 0 2 23625.48 22388.70 348.60 o 4 0 2 11185.05 11821.79 185.76 o 5 0 2 5447.38 5519.01 89.21 o 6 0 2 7797.57 8244.07 132.19 o 7 0 2 344.97 357.10 10.71 o 8 0 2 363.09 357.90 14.99 o -9 1 2 194.75 195.63 9.55 o -8 1 2 126.37 119.26 6.85 o -7 1 2 175.80 165.40 6.29 o -6 1 2 224.32 226.76 5.36 o -5 1 2 56.64 51.18 2.68 o -4 1 2 38.91 40.46 2.17 o -3 1 2 56.31 64.46 2.05 o -2 1 2 18.19 15.64 1.73 o -1 1 2 50.71 41.46 1.21 o 0 1 2 401.46 391.46 4.99 o 1 1 2 0.62 -0.62 0.62 o 2 1 2 618.66 655.78 9.12 o 3 1 2 332.53 324.60 5.36 o 4 1 2 405.68 395.44 6.68 o 5 1 2 602.63 613.80 9.64 o 6 1 2 453.21 421.73 8.02 o 7 1 2 211.33 205.77 16.88 o 8 1 2 269.65 256.03 12.81 o 9 1 2 122.27 128.96 10.92 o -9 2 2 344.40 324.13 12.00 o -8 2 2 630.17 636.91 16.64 o -7 2 2 3588.89 3543.24 49.73 o -6 2 2 2689.84 2582.36 33.97 o -5 2 2 735.47 745.06 15.90 o -4 2 2 1928.67 1858.40 22.46 o -3 2 2 1668.33 1634.13 18.36 o -2 2 2 2520.74 2679.13 30.75 o -1 2 2 160.89 141.83 2.82 o 0 2 2 921.38 856.49 10.44 o 1 2 2 10.89 16.69 1.71 o 2 2 2 6830.46 6930.55 82.48 o 3 2 2 6746.28 6788.56 76.06 o 4 2 2 2859.56 3014.78 35.42 o 5 2 2 2721.31 2733.93 32.93 o 6 2 2 3121.28 3199.89 41.23 o 7 2 2 224.52 250.18 6.76 o 8 2 2 114.85 95.35 6.59 o 9 2 2 778.84 810.52 23.32 o -9 3 2 9.77 9.76 4.99 o -8 3 2 85.10 82.03 6.90 o -7 3 2 37.83 40.01 4.61 o -6 3 2 32.84 39.01 3.87 o -5 3 2 205.05 195.60 5.26 o -4 3 2 775.71 757.65 10.54 o -3 3 2 0.38 1.29 1.76 o -2 3 2 10.27 3.78 1.59 o -1 3 2 196.53 187.67 3.43 o 0 3 2 1512.57 1594.25 18.80 o 1 3 2 444.54 461.40 6.84 o 2 3 2 104.47 109.61 3.10 o 3 3 2 792.88 788.88 11.66 o 4 3 2 102.31 94.68 3.73 o 5 3 2 3.63 6.42 2.77 o 6 3 2 5.83 7.69 3.21 o 7 3 2 133.60 130.39 10.45 o 8 3 2 0.19 -3.45 3.45 o 9 3 2 29.94 24.02 5.12 o -9 4 2 559.85 551.18 16.72 o -8 4 2 1166.32 1188.30 26.30 o -7 4 2 3527.38 3531.26 54.80 o -6 4 2 4266.05 4204.34 63.13 o -5 4 2 1906.02 1880.71 30.16 o -4 4 2 5174.62 5098.62 62.30 o -3 4 2 4375.46 4608.62 56.18 o -2 4 2 535.53 536.57 9.19 o -1 4 2 3675.36 3901.01 44.41 o 0 4 2 5869.79 6139.66 68.80 o 1 4 2 2241.36 2288.86 26.80 o 2 4 2 8885.49 9243.14 110.14 o 3 4 2 8949.84 8871.05 161.65 o 4 4 2 3437.96 3639.94 45.69 o 5 4 2 4116.85 4160.34 56.55 o 6 4 2 2639.86 2737.97 43.32 o 7 4 2 646.46 639.01 16.48 o 8 4 2 184.55 187.72 9.24 o -8 5 2 5.93 5.90 3.73 o -7 5 2 4.30 2.52 3.67 o -6 5 2 19.22 28.10 4.26 o -5 5 2 63.63 65.78 4.76 o -4 5 2 589.54 561.66 9.85 o -3 5 2 8.25 8.20 2.39 o -2 5 2 8.77 11.48 2.30 o -1 5 2 653.53 696.55 9.78 o 0 5 2 1678.20 1795.07 21.80 o 1 5 2 9.85 7.68 1.79 o 2 5 2 6.05 7.19 2.17 o 3 5 2 133.63 123.48 4.20 o 4 5 2 0.01 4.90 3.13 o 6 5 2 86.30 89.02 5.73 o 7 5 2 1.40 -3.37 3.64 o 8 5 2 155.92 143.26 8.46 o -8 6 2 616.83 592.59 15.30 o -7 6 2 2095.98 2037.60 35.39 o -6 6 2 1779.10 1760.51 30.66 o -5 6 2 1317.19 1305.88 23.59 o -4 6 2 2668.23 2739.42 38.71 o -3 6 2 1963.07 1965.98 26.32 o -2 6 2 778.90 801.34 12.46 o -1 6 2 2042.13 2058.22 28.97 o 0 6 2 2737.31 2787.85 33.07 o 1 6 2 1690.84 1715.29 21.34 o 2 6 2 3466.94 3464.54 47.06 o 3 6 2 4406.78 4473.20 60.11 o 4 6 2 1948.26 1888.67 50.01 o 5 6 2 1853.89 1852.28 31.52 o 6 6 2 1831.84 1844.12 36.09 o 7 6 2 389.01 383.39 18.71 o -7 7 2 22.16 30.44 5.14 o -6 7 2 160.08 169.06 7.86 o -5 7 2 94.29 95.57 5.92 o -4 7 2 166.63 171.57 7.04 o -3 7 2 41.69 40.12 3.83 o -2 7 2 16.40 19.81 2.81 o -1 7 2 93.82 102.18 4.49 o 1 7 2 90.12 101.32 4.46 o 2 7 2 42.51 51.12 3.75 o 3 7 2 5.18 12.79 2.79 o 4 7 2 2.99 5.14 3.77 o 5 7 2 639.94 671.98 15.33 o 6 7 2 124.70 123.62 7.98 o 7 7 2 2.94 2.61 4.60 o -6 8 2 418.56 454.10 12.99 o -5 8 2 303.68 298.46 9.75 o -4 8 2 409.60 419.24 11.26 o -3 8 2 340.94 360.72 9.01 o -2 8 2 70.84 92.59 5.25 o -1 8 2 296.79 289.44 6.87 o 0 8 2 372.09 376.93 9.48 o 1 8 2 236.75 246.27 8.64 o 2 8 2 662.09 659.28 12.66 o 3 8 2 809.43 794.72 16.56 o 4 8 2 527.44 511.67 12.84 o 5 8 2 526.38 555.70 16.03 o 6 8 2 599.49 602.46 17.51 o -5 9 2 215.40 214.82 9.05 o -4 9 2 296.97 333.94 10.44 o -3 9 2 4.39 2.43 3.48 o -2 9 2 36.38 40.37 3.91 o -1 9 2 25.08 29.16 4.75 o 0 9 2 313.25 311.44 9.97 o 1 9 2 262.42 280.31 8.60 o 2 9 2 5.54 8.51 4.14 o 3 9 2 287.39 285.17 9.28 o 4 9 2 150.80 139.05 8.46 o 5 9 2 11.07 21.83 8.49 o -3 10 2 1133.83 1132.73 54.05 o -2 10 2 1375.35 1446.49 34.57 o -1 10 2 1395.51 1369.48 28.17 o 0 10 2 1472.34 1491.87 29.96 o 1 10 2 1423.21 1463.64 54.66 o 2 10 2 1271.36 1228.21 26.57 o 3 10 2 1338.07 1346.55 28.95 o -9 1 3 3.56 12.69 4.51 o -8 1 3 321.23 314.43 10.08 o -7 1 3 4903.18 4772.71 78.68 o -6 1 3 1494.33 1528.23 27.68 o -5 1 3 3276.00 3266.15 38.37 o -4 1 3 14970.57 15577.83 172.40 o -3 1 3 4300.93 4370.12 53.07 o -2 1 3 771.05 723.66 10.88 o -1 1 3 1499.84 1427.27 16.70 o 0 1 3 8235.49 8376.48 92.68 o 1 1 3 4530.54 4959.31 59.71 o 2 1 3 4064.88 4140.54 46.66 o 3 1 3 7994.21 8397.04 93.58 o 4 1 3 627.72 638.00 10.10 o 5 1 3 6847.39 7130.14 80.75 o 6 1 3 4715.50 4830.43 60.19 o 7 1 3 1395.63 1387.33 24.39 o 8 1 3 653.02 698.77 20.75 o 9 1 3 1054.49 1199.50 53.23 o -9 2 3 1.48 0.48 4.60 o -8 2 3 72.02 67.76 5.77 o -7 2 3 0.27 -3.25 3.81 o -6 2 3 3.52 -0.17 2.76 o -5 2 3 48.72 43.81 3.33 o -4 2 3 327.65 331.09 5.67 o -3 2 3 79.82 86.87 2.44 o -2 2 3 317.66 307.83 4.74 o -1 2 3 331.41 324.56 5.20 o 0 2 3 640.06 643.49 8.29 o 1 2 3 103.42 99.83 2.30 o 2 2 3 261.91 239.06 4.83 o 3 2 3 397.75 360.15 6.48 o 4 2 3 832.61 808.38 17.46 o 5 2 3 1.71 3.52 2.48 o 6 2 3 252.66 239.64 6.46 o 7 2 3 44.70 56.66 4.23 o 8 2 3 0.09 -1.44 3.58 o 9 2 3 21.37 20.87 4.69 o -9 3 3 132.56 158.28 9.22 o -8 3 3 782.91 747.75 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