#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/66/2216626.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_2216626_Fobs loop_ _publ_author_name 'Yang, Mingqing' 'Zhang, Rufen' 'Sun, Yuying' _publ_section_title ; Bis(\m-2-pyridine-2,6-dicarboxylato)bis[aquadimethyltin(IV)] ; _journal_coeditor_code LH2542 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2924 _journal_volume 63 _journal_year 2007 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 91.864 _cell_angle_gamma 90.000 _cell_length_a 11.3187 _cell_length_b 10.7053 _cell_length_c 18.7682 _exptl_crystal_F_000 1296.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file lh2542Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 070131a in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 699.87 _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, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -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 18511.32 20760.94 1166.52 o 4 0 0 17033.57 18343.50 906.08 o 6 0 0 45390.23 51245.25 2493.30 o 8 0 0 4768.80 4957.20 319.58 o 10 0 0 17241.53 17500.04 925.75 o 12 0 0 3.55 -88.65 218.33 o 1 1 0 83199.74 83353.23 2842.34 o 3 1 0 24540.92 26468.04 960.49 o 5 1 0 39211.76 40194.72 1263.36 o 7 1 0 8061.87 8238.11 325.07 o 9 1 0 18481.48 20165.28 740.56 o 11 1 0 3528.55 3362.19 193.31 o 13 1 0 3070.04 3491.55 328.40 o 0 2 0 66122.28 56939.65 4678.93 o 2 2 0 6881.47 5979.81 277.03 o 4 2 0 45761.76 49085.41 1389.99 o 6 2 0 25839.33 28398.60 907.40 o 8 2 0 5247.83 5099.68 230.43 o 10 2 0 14882.92 15851.49 603.22 o 12 2 0 142.44 150.66 129.72 o 1 3 0 55958.69 55135.86 2421.23 o 3 3 0 13320.10 12009.11 496.72 o 5 3 0 72411.78 78080.66 2444.55 o 7 3 0 6.48 -76.92 51.28 o 9 3 0 19163.78 19635.28 639.93 o 11 3 0 4954.12 4808.20 213.42 o 13 3 0 1003.03 891.64 279.46 o 0 4 0 83355.10 80311.14 4310.84 o 2 4 0 10754.65 9552.11 314.26 o 4 4 0 53708.66 56427.26 2320.12 o 6 4 0 28698.66 30151.86 955.24 o 8 4 0 2787.07 2736.73 160.04 o 10 4 0 10582.48 10995.86 462.06 o 12 4 0 261.84 348.91 161.00 o 1 5 0 24574.56 24194.65 1582.35 o 3 5 0 14745.54 12557.70 1064.47 o 5 5 0 34217.26 35229.38 1118.19 o 7 5 0 695.01 526.30 96.29 o 9 5 0 10096.41 9650.88 467.60 o 11 5 0 3762.54 3841.31 302.20 o 0 6 0 41934.65 39151.21 2141.84 o 2 6 0 26.14 -13.84 66.56 o 4 6 0 20509.90 19993.83 650.38 o 6 6 0 16587.55 16447.97 981.59 o 8 6 0 991.30 1157.52 152.72 o 10 6 0 11894.77 11679.05 560.38 o 1 7 0 23782.99 20692.41 1625.52 o 3 7 0 1544.05 1112.04 268.45 o 5 7 0 11264.01 11722.60 531.15 o 7 7 0 53.55 -131.06 109.36 o 9 7 0 9149.20 9045.27 451.82 o 11 7 0 2907.95 3112.67 296.74 o 0 8 0 8029.66 6845.68 654.18 o 2 8 0 5839.33 5630.13 541.29 o 4 8 0 19641.87 18417.04 1070.67 o 6 8 0 3066.18 3262.62 213.78 o 8 8 0 1209.44 1574.32 216.31 o 10 8 0 1687.06 2198.07 257.90 o 1 9 0 9283.05 9556.52 2148.71 o 3 9 0 126.39 153.81 146.18 o 5 9 0 14679.69 12318.52 1137.79 o 7 9 0 283.73 367.37 122.90 o 9 9 0 1250.07 1701.27 220.83 o 0 10 0 5216.20 5513.16 589.56 o 2 10 0 1415.00 1384.28 235.41 o 4 10 0 5290.89 4776.55 381.80 o 6 10 0 2652.27 3064.61 346.71 o 8 10 0 1087.06 1282.36 270.54 o 1 11 0 709.45 1026.29 224.39 o 3 11 0 1338.27 1304.39 244.79 o 5 11 0 3242.30 3390.80 323.56 o 0 12 0 1969.45 1908.68 413.42 o 2 12 0 3.58 86.80 176.11 o 4 12 0 948.10 1247.41 250.95 o -13 1 1 146.81 305.36 182.70 o -11 1 1 5.80 -5.55 95.87 o -9 1 1 69.12 270.69 89.01 o -7 1 1 121.59 118.50 60.25 o -5 1 1 3550.88 3652.01 159.70 o -3 1 1 352.63 391.40 45.85 o -1 1 1 12173.28 11551.24 371.17 o 1 1 1 11239.88 12538.39 393.64 o 3 1 1 247.63 260.44 36.96 o 5 1 1 24.96 14.15 43.42 o 7 1 1 3302.76 3579.47 173.33 o 9 1 1 101.27 17.73 93.65 o 11 1 1 16.41 0.76 107.58 o 13 1 1 1.88 253.30 166.68 o -12 2 1 3.48 34.21 130.99 o -10 2 1 3.17 31.99 85.78 o -8 2 1 4798.22 5118.98 231.24 o -6 2 1 10659.98 11675.83 435.02 o -4 2 1 1533.35 1345.28 119.82 o -2 2 1 1491.95 1391.57 97.14 o 0 2 1 161.96 234.24 27.23 o 2 2 1 17287.68 19287.70 610.95 o 4 2 1 311.25 244.43 36.06 o 6 2 1 0.10 9.34 44.64 o 8 2 1 3075.06 2989.58 162.25 o 10 2 1 1394.16 1550.63 163.86 o 12 2 1 2.72 -34.23 151.32 o -13 3 1 30.78 310.23 200.89 o -11 3 1 775.91 588.97 111.42 o -9 3 1 666.67 736.29 99.26 o -7 3 1 3310.52 3293.60 192.79 o -5 3 1 863.22 758.45 76.08 o -3 3 1 915.32 873.72 58.60 o -1 3 1 18062.12 15274.13 935.26 o 1 3 1 7066.91 6739.53 412.57 o 3 3 1 7363.09 6955.19 312.82 o 5 3 1 115.11 13.78 51.28 o 7 3 1 1298.45 1266.27 98.30 o 9 3 1 1830.22 2123.91 129.90 o 11 3 1 5.52 132.71 118.35 o 13 3 1 332.53 451.32 256.24 o -12 4 1 352.41 427.02 185.69 o -10 4 1 3755.35 3578.81 196.60 o -8 4 1 113.48 213.44 82.08 o -6 4 1 35.43 -81.12 54.08 o -4 4 1 4878.56 4608.31 268.75 o -2 4 1 1189.80 1088.22 61.12 o 0 4 1 9.00 -16.36 51.41 o 2 4 1 7695.15 7633.27 277.13 o 4 4 1 747.75 612.32 63.33 o 6 4 1 51.73 141.54 86.33 o 8 4 1 1648.85 1844.24 141.83 o 10 4 1 0.97 131.72 94.27 o 12 4 1 753.21 886.83 319.83 o -11 5 1 1748.62 1924.65 213.07 o -9 5 1 197.00 233.74 104.07 o -7 5 1 5609.00 5844.34 256.72 o -5 5 1 70.20 70.24 57.15 o -3 5 1 1568.17 1621.92 114.37 o -1 5 1 41688.43 38279.86 2731.55 o 1 5 1 1532.53 1638.46 134.47 o 3 5 1 16072.75 16130.93 525.22 o 5 5 1 4098.15 3144.70 160.46 o 7 5 1 1553.64 1535.07 130.89 o 9 5 1 2403.69 2560.61 188.96 o 11 5 1 25.07 62.64 153.20 o -10 6 1 1438.68 1765.16 345.57 o -8 6 1 1537.62 1879.64 185.59 o -6 6 1 6572.94 6055.89 447.17 o -4 6 1 104.93 151.66 76.33 o -2 6 1 8937.63 7877.95 316.82 o 0 6 1 8084.73 7449.17 378.38 o 2 6 1 23528.40 22896.26 1072.92 o 4 6 1 13493.63 13111.20 441.34 o 6 6 1 80.05 92.90 70.30 o 8 6 1 5391.02 5086.15 284.90 o 10 6 1 369.93 640.07 164.33 o -11 7 1 3582.55 3942.42 317.62 o -9 7 1 677.29 807.87 191.42 o -7 7 1 3466.77 3257.57 211.23 o -5 7 1 466.65 364.67 102.07 o -3 7 1 6653.06 7268.46 477.05 o -1 7 1 6185.60 5466.38 370.65 o 1 7 1 5.58 50.23 92.22 o 3 7 1 8936.15 8965.37 315.33 o 5 7 1 3436.41 3222.96 200.02 o 7 7 1 204.57 159.15 103.84 o 9 7 1 959.39 1288.89 273.39 o 11 7 1 34.81 479.03 166.59 o -10 8 1 2673.05 2666.74 218.90 o -8 8 1 6.52 -48.62 108.42 o -6 8 1 3136.04 2802.83 192.06 o -4 8 1 1.31 -15.06 127.97 o -2 8 1 6833.67 5388.49 396.27 o 0 8 1 4790.70 4826.75 296.85 o 2 8 1 6481.07 6027.71 448.02 o 4 8 1 6149.27 6402.51 287.71 o 6 8 1 1380.52 1454.18 145.95 o 8 8 1 4489.11 4239.40 276.92 o 10 8 1 123.81 308.93 153.14 o -9 9 1 307.81 240.56 144.19 o -7 9 1 9379.10 9392.51 459.41 o -5 9 1 6172.25 6299.29 825.22 o -3 9 1 1453.48 1419.54 218.19 o -1 9 1 13357.14 13690.66 847.07 o 1 9 1 14.60 10.21 145.29 o 3 9 1 13705.09 13655.91 2100.03 o 5 9 1 471.93 618.10 113.91 o 7 9 1 3986.49 3902.17 245.72 o 9 9 1 4203.60 4648.31 336.37 o -8 10 1 2016.16 2232.62 659.26 o -6 10 1 5405.81 5948.16 455.94 o -4 10 1 193.37 195.04 160.14 o -2 10 1 8260.77 8452.02 729.38 o 0 10 1 2000.61 2674.69 499.93 o 2 10 1 1326.63 1489.68 247.59 o 4 10 1 2633.51 3043.07 300.71 o 6 10 1 584.80 652.75 204.08 o 8 10 1 3918.21 4131.19 267.56 o -5 11 1 3488.44 3212.51 316.50 o -3 11 1 3738.75 4132.16 363.06 o -1 11 1 7492.76 7980.16 559.27 o 1 11 1 24.66 124.02 180.73 o 3 11 1 6466.34 7752.39 550.86 o 5 11 1 1814.91 1924.05 271.44 o -4 12 1 24.52 101.27 210.70 o -2 12 1 5454.97 5768.72 457.43 o 0 12 1 1266.24 1256.72 248.57 o 2 12 1 2585.26 2900.90 405.47 o 4 12 1 4471.20 4379.95 388.74 o -12 0 2 5411.49 5887.72 461.47 o -10 0 2 471.46 471.97 153.15 o -8 0 2 49161.06 54701.19 2705.54 o -6 0 2 1051.98 1286.80 137.31 o -4 0 2 19470.94 19691.15 978.52 o -2 0 2 70150.73 68660.09 3328.81 o 0 0 2 30830.41 35547.14 2686.43 o 2 0 2 489821.72 596387.81 28803.73 o 4 0 2 2789.54 3191.44 197.61 o 6 0 2 38255.88 41640.06 2037.53 o 8 0 2 20403.27 21586.34 1100.88 o 10 0 2 5066.85 4636.95 319.02 o 12 0 2 9006.38 8540.44 698.81 o -13 1 2 5679.52 6027.28 300.19 o -11 1 2 4734.41 4932.80 246.19 o -9 1 2 18413.75 19826.40 730.05 o -7 1 2 37851.92 39443.02 1372.84 o -5 1 2 5541.74 5366.75 215.36 o -3 1 2 34518.23 30974.94 967.19 o -1 1 2 9267.68 8651.61 482.03 o 1 1 2 126339.42 151351.08 4686.01 o 3 1 2 14550.79 16241.55 567.37 o 5 1 2 28826.00 32544.44 1129.61 o 7 1 2 37504.88 41948.28 1459.21 o 9 1 2 1372.77 1276.46 185.81 o 11 1 2 8283.03 8111.89 467.09 o 13 1 2 1930.00 2315.87 368.76 o -12 2 2 6098.10 6507.53 349.39 o -10 2 2 503.24 401.16 107.22 o -8 2 2 42567.32 46245.83 1614.47 o -6 2 2 4899.97 4945.22 237.72 o -4 2 2 36346.05 33415.80 1323.53 o -2 2 2 90476.86 80825.74 4322.30 o 0 2 2 9476.41 8270.45 526.79 o 2 2 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27844.27 1288.15 o 3 7 2 16685.86 16258.21 706.48 o 5 7 2 3809.41 3472.64 186.77 o 7 7 2 6236.56 6439.97 335.08 o 9 7 2 129.62 93.30 146.84 o 11 7 2 6285.05 6329.64 494.12 o -10 8 2 318.70 410.05 150.70 o -8 8 2 3045.11 3080.82 224.71 o -6 8 2 4417.42 4053.74 325.91 o -4 8 2 5268.29 4326.83 443.68 o -2 8 2 8603.17 8543.30 450.19 o 0 8 2 4395.89 4633.95 449.06 o 2 8 2 15872.07 15655.47 1426.14 o 4 8 2 3562.82 3521.61 193.46 o 6 8 2 12667.96 12826.32 519.53 o 8 8 2 4083.89 4311.78 267.04 o 10 8 2 562.23 796.16 185.71 o -9 9 2 2300.53 2138.51 217.86 o -7 9 2 3754.62 3716.39 612.15 o -5 9 2 1512.09 1759.76 285.88 o -3 9 2 18537.06 16890.59 1773.32 o -1 9 2 822.64 1076.86 173.57 o 1 9 2 9713.66 9720.11 509.19 o 3 9 2 8901.82 8821.73 492.68 o 5 9 2 432.18 247.99 131.85 o 7 9 2 6017.29 6090.39 333.28 o 9 9 2 233.27 641.95 260.52 o -8 10 2 1768.51 2127.01 384.68 o -6 10 2 527.26 630.47 185.42 o -4 10 2 8210.73 7476.66 523.05 o -2 10 2 3656.97 3783.56 333.22 o 0 10 2 1809.72 2305.18 285.59 o 2 10 2 6441.90 6638.30 436.23 o 4 10 2 392.12 313.64 143.41 o 6 10 2 3115.18 3300.25 326.64 o 8 10 2 1188.78 1528.28 316.15 o -5 11 2 86.20 -41.75 253.48 o -3 11 2 5007.97 5064.85 408.44 o -1 11 2 1413.52 1446.58 262.26 o 1 11 2 1286.00 1809.32 290.47 o 3 11 2 913.40 970.48 218.23 o 5 11 2 455.85 405.99 194.91 o -4 12 2 793.89 1279.48 250.94 o -2 12 2 1210.58 1296.91 251.07 o 0 12 2 324.55 220.38 195.19 o 2 12 2 1727.29 1888.00 297.94 o 4 12 2 56.10 281.94 188.94 o -13 1 3 146.77 193.70 129.12 o -11 1 3 59.33 146.60 100.07 o -9 1 3 12.41 -81.38 77.23 o -7 1 3 37.72 142.19 83.59 o -5 1 3 2235.65 2244.05 119.89 o -3 1 3 4081.93 4035.96 143.03 o -1 1 3 112.17 115.20 29.04 o 1 1 3 23701.80 27486.47 949.83 o 3 1 3 76975.07 92162.11 3520.64 o 5 1 3 81.36 108.15 45.61 o 7 1 3 1219.35 1294.24 101.38 o 9 1 3 548.55 570.34 96.87 o 11 1 3 375.46 342.49 240.65 o 13 1 3 7.45 158.61 165.17 o -12 2 3 84.71 197.49 110.61 o -10 2 3 62.79 30.58 92.62 o -8 2 3 8.58 21.66 70.83 o -6 2 3 10382.62 10812.22 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