#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/23/2202369.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_2202369_Fobs loop_ _publ_author_name 'Xu, Tao' 'Yang, Shi-Yao' 'Xie, Zhao-Xiong' 'Ng, Seik Weng' _publ_section_title ; Bis(diisopropylammonium) diphenyldioxalatostannate(IV) ; _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m873 _journal_page_last m875 _journal_volume 59 _journal_year 2003 _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 93.364 _cell_angle_gamma 90.000 _cell_length_a 9.4647 _cell_length_b 20.9014 _cell_length_c 15.9940 _exptl_crystal_F_000 1352.00 _reflns_d_resolution_high 0.8411 _[local]_cod_data_source_file bt6339Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 291.35 _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 56339.54 56262.06 2523.98 o 4 0 0 645.47 694.71 33.07 o 6 0 0 5268.89 5464.87 105.11 o 8 0 0 19.22 25.48 41.25 o 10 0 0 69.51 169.45 41.63 o 1 1 0 3178.93 3694.01 48.17 o 2 1 0 4590.50 4507.26 104.74 o 3 1 0 478.34 638.35 22.50 o 4 1 0 951.33 962.90 26.90 o 5 1 0 727.62 730.34 25.92 o 6 1 0 4553.99 4609.07 67.46 o 7 1 0 547.28 536.05 43.71 o 8 1 0 3975.71 3538.79 111.73 o 9 1 0 511.50 657.13 59.20 o 10 1 0 1084.81 1130.97 70.14 o 11 1 0 540.26 649.60 59.60 o 0 2 0 257.69 341.18 14.72 o 1 2 0 31924.41 35843.67 216.64 o 2 2 0 8951.44 9232.11 81.59 o 3 2 0 2065.27 1684.44 55.20 o 4 2 0 28.15 83.56 9.68 o 5 2 0 681.85 672.49 23.33 o 6 2 0 31.53 88.98 16.00 o 7 2 0 1048.33 900.48 53.95 o 8 2 0 193.36 194.72 33.26 o 9 2 0 73.33 128.89 28.22 o 10 2 0 54.84 119.15 27.07 o 11 2 0 34.19 128.16 26.99 o 1 3 0 310.91 356.86 12.88 o 2 3 0 7535.21 8109.92 168.41 o 3 3 0 1834.43 1949.74 44.26 o 4 3 0 6356.92 7093.20 107.74 o 5 3 0 5139.83 5142.07 87.39 o 6 3 0 22.62 56.68 13.99 o 7 3 0 5329.70 5324.02 125.36 o 8 3 0 201.17 247.80 36.31 o 9 3 0 2683.37 2572.03 101.75 o 10 3 0 0.77 74.41 19.59 o 11 3 0 457.88 635.41 70.22 o 0 4 0 8316.39 9506.07 130.03 o 1 4 0 24527.98 26054.77 280.36 o 2 4 0 5298.45 6095.26 65.96 o 3 4 0 38467.94 40527.77 200.35 o 4 4 0 282.67 345.88 22.81 o 5 4 0 2126.68 2049.34 57.22 o 6 4 0 22.61 70.55 15.87 o 7 4 0 733.77 698.04 39.37 o 8 4 0 118.18 135.58 28.51 o 9 4 0 61.94 121.36 24.70 o 10 4 0 29.51 105.18 27.86 o 11 4 0 130.55 302.02 48.43 o 1 5 0 1212.44 1539.80 27.32 o 2 5 0 71.48 209.96 15.95 o 3 5 0 774.24 836.36 22.26 o 4 5 0 6208.99 6313.89 148.07 o 5 5 0 9379.19 9447.98 187.80 o 6 5 0 4726.23 4570.60 147.49 o 7 5 0 2922.79 2643.70 77.18 o 8 5 0 2665.22 2397.85 109.20 o 9 5 0 396.84 546.60 62.38 o 10 5 0 1142.88 1060.92 79.14 o 11 5 0 149.01 245.87 45.55 o 0 6 0 1337.33 1333.08 42.28 o 1 6 0 73.95 122.66 10.57 o 2 6 0 25463.56 26986.37 203.47 o 3 6 0 1282.44 1346.85 30.81 o 4 6 0 14615.27 14329.51 276.80 o 5 6 0 192.07 312.24 26.11 o 6 6 0 2227.04 2076.07 100.89 o 7 6 0 5.88 51.29 14.52 o 8 6 0 376.04 446.34 56.31 o 9 6 0 18.56 90.08 26.86 o 10 6 0 159.47 258.35 46.81 o 1 7 0 2045.37 2123.18 36.08 o 2 7 0 997.73 1094.53 26.36 o 3 7 0 2308.50 2390.72 41.42 o 4 7 0 7292.09 7101.79 97.64 o 5 7 0 2728.53 2598.00 65.48 o 6 7 0 5433.73 4777.02 151.46 o 7 7 0 594.77 701.90 56.84 o 8 7 0 806.52 850.00 53.85 o 9 7 0 967.61 988.16 74.09 o 10 7 0 756.21 820.90 71.02 o 0 8 0 1084.22 1161.68 44.00 o 1 8 0 6593.57 6777.38 90.85 o 2 8 0 5402.47 5451.16 59.28 o 3 8 0 6165.38 6228.97 69.23 o 4 8 0 1376.47 1278.01 32.13 o 5 8 0 3641.94 3615.00 78.26 o 6 8 0 15.19 39.26 18.98 o 7 8 0 18.82 57.93 20.90 o 8 8 0 19.91 54.45 19.11 o 9 8 0 20.43 78.62 24.05 o 10 8 0 0.07 70.38 22.84 o 1 9 0 601.74 665.34 24.58 o 2 9 0 145.50 246.84 20.49 o 3 9 0 5207.58 4931.17 60.76 o 4 9 0 112.98 178.48 14.84 o 5 9 0 4598.93 4348.61 284.78 o 6 9 0 0.13 20.59 16.71 o 7 9 0 3493.96 3067.95 118.56 o 8 9 0 59.46 99.25 24.45 o 9 9 0 1617.29 1464.46 92.20 o 10 9 0 195.73 245.22 44.66 o 0 10 0 3466.25 3652.51 83.68 o 1 10 0 13600.48 14439.12 138.51 o 2 10 0 1616.31 1463.54 45.55 o 3 10 0 9698.68 9519.00 113.71 o 4 10 0 1429.54 1340.82 42.55 o 5 10 0 3257.37 2597.87 156.28 o 6 10 0 267.95 192.07 31.34 o 7 10 0 32.21 60.54 20.75 o 8 10 0 12.28 34.36 16.55 o 9 10 0 5.68 52.47 22.63 o 10 10 0 1.07 86.81 24.44 o 1 11 0 254.75 333.20 19.04 o 2 11 0 448.89 535.96 29.36 o 3 11 0 295.57 346.51 25.34 o 4 11 0 1747.61 1280.86 219.94 o 5 11 0 1659.30 1403.00 64.83 o 6 11 0 3254.41 2722.21 93.70 o 7 11 0 425.23 412.10 45.27 o 8 11 0 1886.00 1665.63 80.78 o 9 11 0 313.41 406.63 58.28 o 10 11 0 976.91 839.24 76.66 o 0 12 0 14225.05 14725.73 242.50 o 1 12 0 1042.74 1219.09 36.71 o 2 12 0 17172.12 16662.50 161.89 o 3 12 0 21.24 50.17 12.47 o 4 12 0 2981.64 2618.89 86.93 o 5 12 0 3.43 32.37 17.29 o 6 12 0 85.40 112.81 26.18 o 7 12 0 82.43 107.71 26.10 o 8 12 0 18.47 59.14 18.92 o 9 12 0 8.06 47.77 18.88 o 1 13 0 50.66 121.77 14.95 o 2 13 0 487.68 531.19 31.17 o 3 13 0 106.13 196.38 34.30 o 4 13 0 1718.69 1618.60 69.94 o 5 13 0 236.99 231.67 34.18 o 6 13 0 1317.07 1192.48 64.57 o 7 13 0 283.94 344.38 43.01 o 8 13 0 1917.17 1648.34 81.69 o 9 13 0 495.81 569.12 56.08 o 0 14 0 176.65 233.08 31.84 o 1 14 0 5181.75 3822.06 584.95 o 2 14 0 1671.56 1554.89 54.49 o 3 14 0 1516.39 1363.26 51.56 o 4 14 0 1614.12 1523.92 70.17 o 5 14 0 27.29 46.77 20.47 o 6 14 0 1002.58 886.52 57.09 o 7 14 0 40.23 70.62 21.83 o 8 14 0 42.42 108.77 25.56 o 9 14 0 8.79 78.63 18.57 o 1 15 0 751.75 673.46 37.03 o 2 15 0 1044.96 956.04 44.41 o 3 15 0 2186.04 2009.58 64.73 o 4 15 0 3.56 38.55 18.35 o 5 15 0 2711.21 2257.23 88.97 o 6 15 0 86.97 101.17 26.44 o 7 15 0 2312.35 2062.36 91.85 o 8 15 0 0.77 65.66 19.75 o 0 16 0 2626.60 2356.12 113.42 o 1 16 0 10339.03 8845.31 507.00 o 2 16 0 1931.69 1932.30 65.02 o 3 16 0 4296.25 3942.98 111.27 o 4 16 0 246.25 275.98 38.07 o 5 16 0 2256.38 1982.70 85.14 o 6 16 0 1.19 34.12 17.53 o 7 16 0 220.00 260.87 39.85 o 8 16 0 90.45 131.44 25.72 o 1 17 0 475.84 429.29 40.36 o 2 17 0 87.81 142.85 22.89 o 3 17 0 1.37 37.26 17.56 o 4 17 0 427.99 437.68 47.28 o 5 17 0 251.58 335.15 42.77 o 6 17 0 1320.76 1141.62 67.99 o 7 17 0 602.03 709.42 61.74 o 8 17 0 848.79 876.15 60.86 o 0 18 0 2666.72 2536.13 124.66 o 1 18 0 399.70 408.21 42.37 o 2 18 0 2815.23 2509.02 87.35 o 3 18 0 6.94 46.91 19.18 o 4 18 0 2560.07 2306.23 92.55 o 5 18 0 0.67 70.16 21.12 o 6 18 0 683.33 719.50 62.27 o 7 18 0 1.34 68.64 18.20 o 1 19 0 44.16 68.93 21.47 o 2 19 0 399.87 461.55 43.44 o 3 19 0 33.64 96.16 30.62 o 4 19 0 1066.22 977.08 61.25 o 5 19 0 437.20 486.40 50.82 o 6 19 0 956.68 958.24 63.82 o 7 19 0 306.28 402.24 47.89 o 0 20 0 529.17 521.07 70.82 o 1 20 0 2709.07 2670.23 95.95 o 2 20 0 1475.29 1369.91 68.27 o 3 20 0 779.30 749.18 62.77 o 4 20 0 873.89 827.88 66.28 o 5 20 0 461.42 479.25 50.34 o 6 20 0 4.69 73.74 20.80 o 1 21 0 0.92 68.99 20.40 o 2 21 0 19.88 58.37 22.58 o 3 21 0 294.88 409.22 54.15 o 4 21 0 14.91 84.65 23.53 o 5 21 0 1204.22 1139.29 80.30 o 6 21 0 36.23 90.77 24.43 o 0 22 0 587.51 680.42 78.64 o 1 22 0 2677.70 2509.72 97.60 o 2 22 0 639.22 737.22 68.68 o 3 22 0 1118.95 964.89 72.58 o 4 22 0 394.34 462.42 57.94 o 5 22 0 335.14 391.89 54.13 o 1 23 0 16.29 90.50 21.97 o 2 23 0 15.31 72.26 25.47 o 3 23 0 367.30 501.60 70.35 o 4 23 0 291.55 382.37 53.65 o 0 24 0 1534.13 1414.17 106.24 o 1 24 0 24.60 105.35 21.09 o 2 24 0 1434.86 1403.45 90.26 o -11 0 1 0.99 91.35 33.23 o -9 0 1 0.18 17.50 20.21 o -7 0 1 1571.85 1562.18 100.32 o -5 0 1 2787.64 2831.20 71.36 o -3 0 1 1094.12 1016.02 35.98 o 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o -9 5 1 1906.81 1864.93 86.37 o -8 5 1 109.81 158.77 29.21 o -7 5 1 2055.63 2036.87 66.85 o -6 5 1 2211.49 1865.98 146.81 o -5 5 1 3109.98 3171.23 76.67 o -4 5 1 1961.44 1800.66 49.36 o -3 5 1 2867.84 2891.87 40.61 o -2 5 1 89.88 173.15 12.64 o -1 5 1 147.79 216.96 13.09 o 0 5 1 64.26 236.47 13.02 o 1 5 1 7310.29 7552.97 86.85 o 2 5 1 3140.62 3445.88 44.17 o 3 5 1 9042.32 9618.49 93.03 o 4 5 1 3711.45 3832.15 70.92 o 5 5 1 4892.68 5075.70 90.43 o 6 5 1 3271.56 3079.30 82.32 o 7 5 1 2805.16 2810.86 78.70 o 8 5 1 785.22 760.69 53.01 o 9 5 1 2427.72 2323.71 114.71 o 10 5 1 205.18 328.40 50.15 o -10 6 1 0.33 24.74 16.04 o -9 6 1 4.31 50.88 21.70 o -8 6 1 13.26 65.48 21.51 o -7 6 1 12.63 63.22 16.47 o -6 6 1 45.77 72.04 17.30 o -5 6 1 7839.03 7334.32 108.12 o -4 6 1 1999.75 1778.20 49.46 o -3 6 1 30467.19 32433.33 152.59 o -2 6 1 2.08 104.08 48.30 o -1 6 1 4889.45 5103.25 55.09 o 0 6 1 86.82 137.59 11.68 o 1 6 1 26324.96 26950.63 974.34 o 2 6 1 3205.67 3298.84 57.58 o 3 6 1 11227.16 12239.81 173.09 o 4 6 1 1970.49 2075.82 53.85 o 5 6 1 233.13 252.29 23.17 o 6 6 1 55.53 88.15 18.35 o 7 6 1 39.35 89.44 19.18 o 8 6 1 39.95 43.08 23.18 o 9 6 1 52.70 75.09 23.80 o 10 6 1 29.48 109.72 29.21 o -10 7 1 217.78 316.77 49.15 o -9 7 1 2108.11 2024.32 104.58 o -8 7 1 1557.44 1377.90 83.55 o -7 7 1 3606.02 3440.97 87.71 o -6 7 1 450.97 510.67 62.70 o -5 7 1 8364.54 8142.03 114.39 o -4 7 1 975.45 908.37 36.64 o -3 7 1 4777.88 5149.87 61.73 o -2 7 1 249.08 397.77 17.99 o -1 7 1 3993.03 4207.62 58.64 o 0 7 1 52.64 122.32 12.73 o 1 7 1 1762.32 1969.13 43.65 o 2 7 1 7604.28 7908.53 100.58 o 3 7 1 3661.41 3590.61 50.84 o 4 7 1 665.86 689.02 23.98 o 5 7 1 4823.34 4824.16 157.43 o 6 7 1 277.90 331.70 43.57 o 7 7 1 1400.36 1265.79 62.31 o 8 7 1 1720.24 1597.06 74.00 o 9 7 1 1855.11 1856.82 103.29 o 10 7 1 233.89 332.91 50.34 o -10 8 1 10.20 128.51 29.18 o -9 8 1 8.32 80.20 24.05 o -8 8 1 22.52 63.61 19.17 o -7 8 1 48.81 104.40 24.14 o -6 8 1 851.64 796.97 40.85 o -5 8 1 438.97 439.07 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