#------------------------------------------------------------------------------ #$Date: 2016-04-03 04:13:44 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181152 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/31/2223145.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_2223145_Fobs loop_ _publ_author_name 'Lee, See Mun' 'Lo, Kong Mun' 'Mohd Ali, Hapipah' 'Robinson, Ward T.' _publ_section_title ; Bis[4-(dimethylamino)pyridinium] tetrabromidobis(4-methylphenyl)stannate(IV) ; _journal_coeditor_code LH2842 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1040 _journal_volume 65 _journal_year 2009 _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 95.063 _cell_angle_gamma 90.000 _cell_length_a 10.2178 _cell_length_b 10.4808 _cell_length_c 14.5833 _exptl_crystal_F_000 844.00 _reflns_d_resolution_high 0.7697 _cod_data_source_file lh2842Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' lsm203 in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 304.92 _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 12551.48 13887.32 337.75 o 4 0 0 41732.83 41671.39 1376.73 o 6 0 0 5015.34 5291.27 80.49 o 8 0 0 3780.17 4034.91 108.37 o 10 0 0 4427.10 4343.76 123.72 o 12 0 0 592.94 582.48 61.41 o 1 1 0 26665.22 25887.44 832.88 o 2 1 0 27.72 25.98 5.02 o 3 1 0 9633.44 10104.52 113.21 o 4 1 0 7147.73 7902.34 323.02 o 5 1 0 1131.64 1266.45 25.08 o 6 1 0 7921.35 8541.09 102.71 o 7 1 0 10147.62 10610.86 127.24 o 8 1 0 2145.60 2218.70 69.57 o 9 1 0 62.35 41.71 22.66 o 10 1 0 5.42 32.12 31.61 o 11 1 0 3294.55 3112.23 110.17 o 12 1 0 247.17 294.25 43.35 o 13 1 0 454.98 508.43 90.76 o 0 2 0 7067.33 7270.60 137.27 o 1 2 0 557.66 542.27 7.71 o 2 2 0 21759.18 23077.99 250.79 o 3 2 0 458.86 447.50 13.61 o 4 2 0 18346.24 19217.95 213.08 o 5 2 0 3244.44 3359.62 47.47 o 6 2 0 15.30 18.87 10.72 o 7 2 0 4426.74 4664.69 65.83 o 8 2 0 22220.43 22445.58 255.34 o 9 2 0 10.87 23.38 29.35 o 10 2 0 1853.30 1823.11 55.92 o 11 2 0 84.37 63.73 36.12 o 12 2 0 5947.80 5792.08 117.18 o 13 2 0 432.38 439.36 47.86 o 1 3 0 2832.79 3177.08 146.30 o 2 3 0 486.04 544.94 15.66 o 3 3 0 430.31 428.53 15.14 o 4 3 0 3039.18 3301.36 47.07 o 5 3 0 2289.45 2415.67 50.24 o 6 3 0 303.57 323.73 16.97 o 7 3 0 13803.85 13989.43 165.24 o 8 3 0 351.73 324.50 21.34 o 9 3 0 3929.34 3977.39 103.85 o 10 3 0 2.51 -15.13 24.95 o 11 3 0 9098.64 8899.06 178.81 o 12 3 0 7.16 26.11 34.32 o 0 4 0 26368.77 26091.44 478.63 o 1 4 0 5891.75 5858.11 104.30 o 2 4 0 421.47 467.43 17.34 o 3 4 0 44.36 73.89 20.42 o 4 4 0 14058.91 13683.01 120.54 o 5 4 0 11557.39 11334.04 165.67 o 6 4 0 63.90 68.26 10.95 o 7 4 0 394.77 413.44 20.94 o 8 4 0 12877.29 12927.93 158.26 o 9 4 0 3502.17 3538.05 106.89 o 10 4 0 481.24 495.14 36.22 o 11 4 0 521.50 550.40 41.15 o 12 4 0 4790.95 4841.89 107.36 o 1 5 0 23789.43 24545.38 453.34 o 2 5 0 708.78 703.95 21.97 o 3 5 0 17152.35 16917.37 186.55 o 4 5 0 1745.68 1629.31 24.55 o 5 5 0 1056.19 1017.20 19.77 o 6 5 0 7.25 6.00 8.66 o 7 5 0 1222.58 1194.19 27.74 o 8 5 0 1726.66 1795.83 53.70 o 9 5 0 251.79 231.38 24.68 o 10 5 0 378.01 400.54 36.67 o 11 5 0 522.51 550.31 42.93 o 12 5 0 36.39 42.77 34.05 o 0 6 0 52143.73 50539.03 816.37 o 1 6 0 3794.04 3811.92 62.88 o 2 6 0 4636.40 4681.43 74.04 o 3 6 0 8360.13 8354.91 125.98 o 4 6 0 23980.25 23452.31 225.08 o 5 6 0 18.67 21.59 16.16 o 6 6 0 1496.62 1477.85 33.37 o 7 6 0 5063.57 5012.08 76.06 o 8 6 0 2129.88 2126.68 47.88 o 9 6 0 133.94 163.80 23.12 o 10 6 0 1177.68 1193.14 52.71 o 11 6 0 440.29 431.44 43.07 o 1 7 0 1758.31 1703.19 29.21 o 2 7 0 995.95 872.33 30.70 o 3 7 0 3446.79 3378.54 60.28 o 4 7 0 949.23 984.01 37.03 o 5 7 0 1135.96 1044.41 28.20 o 6 7 0 5690.89 5678.60 77.53 o 7 7 0 5712.50 5615.88 139.52 o 8 7 0 131.20 128.35 25.45 o 9 7 0 1186.23 1140.70 41.28 o 10 7 0 1305.15 1249.43 57.91 o 11 7 0 3483.82 3464.09 92.81 o 0 8 0 4236.03 4080.06 102.05 o 1 8 0 2973.32 2917.76 43.15 o 2 8 0 1649.62 1657.33 97.98 o 3 8 0 4093.36 3937.85 110.63 o 4 8 0 5491.79 5371.89 88.65 o 5 8 0 320.79 350.07 20.29 o 6 8 0 574.23 595.26 39.73 o 7 8 0 1431.32 1375.49 47.43 o 8 8 0 9334.52 9081.88 151.37 o 9 8 0 1128.26 1059.54 50.50 o 10 8 0 2462.62 2510.53 108.37 o 1 9 0 11.28 29.53 17.21 o 2 9 0 1086.11 1136.26 36.33 o 3 9 0 641.88 603.45 29.35 o 4 9 0 2468.46 2406.56 53.82 o 5 9 0 1009.37 1043.07 32.77 o 6 9 0 87.77 83.96 25.06 o 7 9 0 3986.17 3994.27 86.77 o 8 9 0 1747.06 1706.29 58.14 o 9 9 0 2138.38 2163.76 105.21 o 0 10 0 3060.12 3152.61 92.11 o 1 10 0 4071.64 3981.76 75.98 o 2 10 0 170.07 168.27 36.12 o 3 10 0 205.24 199.76 34.77 o 4 10 0 4729.26 4659.62 85.45 o 5 10 0 7500.06 7287.00 101.19 o 6 10 0 424.84 414.48 34.69 o 7 10 0 36.50 63.41 30.59 o 8 10 0 1066.56 1003.17 67.73 o 1 11 0 9264.60 9120.27 145.26 o 2 11 0 108.08 109.25 23.30 o 3 11 0 4627.97 4582.11 87.66 o 4 11 0 670.71 667.71 41.09 o 5 11 0 1007.73 1006.46 48.32 o 6 11 0 36.63 49.02 29.80 o 7 11 0 20.02 48.96 31.87 o 0 12 0 8633.35 8418.40 198.67 o 1 12 0 486.63 478.64 31.93 o 2 12 0 2125.67 2135.63 93.92 o 3 12 0 6403.97 6425.00 140.88 o 4 12 0 2315.86 2243.14 72.25 o 5 12 0 16.63 0.96 31.90 o 6 12 0 362.77 393.62 40.52 o 1 13 0 501.49 473.12 34.80 o 2 13 0 703.25 798.88 41.82 o 3 13 0 253.87 261.80 39.28 o -13 0 1 51.01 18.96 52.38 o -11 0 1 679.85 745.93 56.89 o -9 0 1 1501.47 1495.48 70.44 o -7 0 1 21.61 44.27 17.61 o -5 0 1 721.36 821.85 21.33 o -3 0 1 536.84 659.99 27.09 o -1 0 1 27331.05 25591.22 1312.16 o 1 0 1 12070.26 12482.97 260.54 o 3 0 1 92973.28 88672.55 1604.75 o 5 0 1 8357.05 8850.61 124.92 o 7 0 1 20324.82 20476.16 407.28 o 9 0 1 966.79 1052.98 60.51 o 11 0 1 1970.68 1957.85 83.99 o 13 0 1 2542.98 2719.14 115.59 o -13 1 1 1827.77 1721.43 67.05 o -12 1 1 5712.04 5401.36 111.43 o -11 1 1 1483.11 1439.72 52.99 o -10 1 1 1330.05 1373.78 52.38 o -9 1 1 1372.03 1406.06 67.28 o -8 1 1 7777.72 7921.97 128.99 o -7 1 1 334.63 408.02 16.85 o -6 1 1 1847.08 1824.10 50.64 o -5 1 1 4925.85 5424.74 67.68 o -4 1 1 27665.29 29733.58 323.00 o -3 1 1 39500.31 41066.30 540.06 o -2 1 1 3907.86 4144.53 51.22 o -1 1 1 297.90 338.12 5.38 o 0 1 1 25382.01 24941.36 298.95 o 1 1 1 458.58 467.62 7.38 o 2 1 1 894.20 885.82 15.39 o 3 1 1 3539.51 3739.79 46.54 o 4 1 1 35863.04 37022.96 400.03 o 5 1 1 1728.97 1715.03 30.12 o 6 1 1 2228.17 2344.80 38.05 o 7 1 1 4757.52 4909.32 67.21 o 8 1 1 9179.92 9269.57 115.07 o 9 1 1 263.79 253.78 26.49 o 10 1 1 243.60 271.90 29.69 o 11 1 1 75.18 83.57 30.29 o 12 1 1 1468.06 1383.64 72.70 o 13 1 1 68.96 119.08 41.99 o -13 2 1 23.69 9.69 28.02 o -12 2 1 2808.56 2764.94 76.26 o -11 2 1 10251.07 9916.95 167.30 o -10 2 1 1119.20 1055.65 46.29 o -9 2 1 5167.64 5222.97 111.08 o -8 2 1 1868.51 1975.42 39.97 o -7 2 1 12955.37 13367.89 231.00 o -6 2 1 379.91 351.98 16.17 o -5 2 1 6220.54 6226.91 77.30 o -4 2 1 4080.03 4012.49 82.34 o -3 2 1 14659.79 15423.54 146.08 o -2 2 1 23277.15 24006.63 202.30 o -1 2 1 10627.41 10934.38 92.76 o 0 2 1 5768.18 6080.33 63.47 o 1 2 1 3322.60 3791.85 43.92 o 2 2 1 1510.06 1634.19 24.47 o 3 2 1 8162.62 8358.44 98.25 o 4 2 1 446.74 493.35 18.67 o 5 2 1 179.03 139.65 19.23 o 6 2 1 7085.03 7326.66 91.50 o 7 2 1 10153.46 10470.80 126.74 o 8 2 1 1313.36 1317.94 49.89 o 9 2 1 223.76 222.97 27.09 o 10 2 1 2553.71 2567.76 65.45 o 11 2 1 12304.87 12397.61 199.51 o 12 2 1 69.54 42.56 31.87 o 13 2 1 162.67 163.04 38.56 o -12 3 1 8561.02 8198.03 121.97 o -11 3 1 489.28 480.51 28.96 o -10 3 1 1082.91 1077.68 49.24 o -9 3 1 37.10 65.85 24.58 o -8 3 1 23176.52 23333.67 301.78 o -7 3 1 601.97 659.04 24.72 o -6 3 1 503.46 476.34 13.07 o -5 3 1 6052.43 6491.84 67.99 o -4 3 1 50353.91 50502.15 422.97 o -3 3 1 30.70 54.71 6.90 o -2 3 1 112.96 162.24 6.51 o -1 3 1 10252.18 10654.70 126.18 o 0 3 1 16636.92 16435.43 178.21 o 1 3 1 812.91 842.56 28.90 o 2 3 1 21374.55 21918.36 405.48 o 3 3 1 2150.64 2326.49 35.17 o 4 3 1 2601.47 2710.27 49.21 o 5 3 1 1298.07 1408.03 41.54 o 6 3 1 2373.52 2391.04 41.48 o 7 3 1 20.07 6.15 13.85 o 8 3 1 5671.40 5756.26 81.67 o 9 3 1 219.15 240.52 22.12 o 10 3 1 594.61 580.79 36.68 o 11 3 1 162.31 141.32 46.06 o 12 3 1 7574.74 7609.81 142.93 o -12 4 1 914.44 978.18 52.35 o -11 4 1 5304.26 5142.50 86.17 o -10 4 1 4033.50 3912.32 119.25 o -9 4 1 109.09 120.45 19.63 o -8 4 1 755.65 743.24 24.68 o -7 4 1 5188.25 5291.55 64.54 o -6 4 1 2202.85 2307.75 28.97 o -5 4 1 2949.11 2982.57 33.49 o -4 4 1 8638.36 8864.35 81.23 o -3 4 1 6007.42 6172.65 58.25 o -2 4 1 12969.60 13074.56 124.03 o -1 4 1 1691.52 1572.53 21.38 o 0 4 1 2040.82 2052.59 34.44 o 1 4 1 98.08 77.99 9.11 o 2 4 1 1975.17 2014.24 41.09 o 3 4 1 7150.90 7144.27 329.62 o 4 4 1 3570.97 3468.27 50.61 o 5 4 1 325.99 376.64 17.42 o 6 4 1 1412.10 1421.09 33.09 o 7 4 1 11761.12 11858.62 144.97 o 8 4 1 8286.00 8163.29 108.31 o 9 4 1 449.25 538.21 51.47 o 10 4 1 16.83 26.78 26.46 o 11 4 1 6836.33 6515.18 125.38 o 12 4 1 782.13 756.56 135.46 o -12 5 1 2377.15 2533.84 79.11 o -11 5 1 1677.29 1717.59 125.07 o -10 5 1 969.29 939.38 46.56 o -9 5 1 50.81 33.26 20.95 o -8 5 1 1526.64 1576.08 33.44 o -7 5 1 614.08 654.32 26.85 o -6 5 1 2594.22 2631.92 35.15 o -5 5 1 4838.67 4710.34 49.09 o -4 5 1 12820.70 12622.09 113.08 o -3 5 1 458.08 516.98 14.96 o -2 5 1 14.54 67.17 17.32 o -1 5 1 2557.57 2323.02 33.77 o 0 5 1 34819.30 33821.38 313.35 o 1 5 1 52.23 63.60 11.37 o 2 5 1 4435.44 4316.45 67.31 o 3 5 1 364.88 348.80 17.74 o 4 5 1 29762.90 29386.59 278.12 o 5 5 1 4608.86 4524.31 54.00 o 6 5 1 3920.30 3872.60 60.40 o 7 5 1 1276.07 1336.66 48.77 o 8 5 1 6519.54 6572.31 93.30 o 9 5 1 1628.80 1690.96 43.99 o 10 5 1 132.15 101.63 30.29 o 11 5 1 38.14 41.70 32.55 o 12 5 1 142.37 192.50 55.54 o -11 6 1 1188.79 1112.59 54.18 o -10 6 1 16.55 56.98 30.47 o -9 6 1 30.33 7.29 27.66 o -8 6 1 7.37 10.36 17.96 o -7 6 1 383.88 413.75 24.87 o -6 6 1 149.79 151.34 13.03 o -5 6 1 238.35 264.66 12.44 o -4 6 1 1455.82 1386.48 23.41 o -3 6 1 1445.44 1477.88 39.28 o -2 6 1 1561.91 1538.83 46.06 o -1 6 1 14682.36 14557.74 159.08 o 0 6 1 5236.92 5287.14 55.26 o 1 6 1 10767.52 10694.17 120.35 o 2 6 1 1331.03 1403.73 32.49 o 3 6 1 33371.86 33266.62 434.53 o 4 6 1 3.64 0.06 10.92 o 5 6 1 5031.79 4923.43 66.83 o 6 6 1 2076.23 2130.60 55.71 o 7 6 1 16348.86 16369.33 196.19 o 8 6 1 69.17 69.77 20.81 o 9 6 1 334.19 317.14 26.63 o 10 6 1 1608.46 1594.67 59.22 o 11 6 1 1436.30 1540.96 64.03 o -11 7 1 38.98 63.78 36.97 o -10 7 1 46.59 41.79 31.85 o -9 7 1 3692.19 3450.48 66.05 o -8 7 1 6814.88 6675.44 98.26 o -7 7 1 3478.12 3396.44 71.36 o -6 7 1 502.61 475.24 28.63 o -5 7 1 21.86 37.87 12.48 o -4 7 1 9579.50 9290.71 134.96 o -3 7 1 12417.43 12124.25 170.13 o -2 7 1 354.62 343.17 18.49 o -1 7 1 958.32 975.38 23.64 o 0 7 1 11237.28 11124.27 96.36 o 1 7 1 7463.00 7307.59 87.27 o 2 7 1 487.16 546.52 19.23 o 3 7 1 4875.99 4834.37 79.11 o 4 7 1 4029.88 4034.12 58.93 o 5 7 1 53.44 54.26 14.88 o 6 7 1 640.70 614.85 23.99 o 7 7 1 7096.20 6951.43 118.39 o 8 7 1 5731.99 5657.41 104.03 o 9 7 1 914.31 963.06 45.34 o 10 7 1 1297.87 1288.96 54.23 o 11 7 1 1492.90 1505.28 66.47 o -10 8 1 25.48 1.81 45.15 o -9 8 1 2192.71 2289.29 89.86 o -8 8 1 947.83 936.02 44.36 o -7 8 1 8358.55 7896.60 132.81 o -6 8 1 65.84 87.75 32.96 o -5 8 1 6561.05 6467.43 92.46 o -4 8 1 191.01 181.50 22.13 o -3 8 1 2777.82 2660.59 53.89 o -2 8 1 378.34 364.49 21.33 o -1 8 1 2097.75 2068.03 64.12 o 0 8 1 2538.29 2523.01 54.18 o 1 8 1 88.98 88.13 12.35 o 2 8 1 105.55 109.25 13.48 o 3 8 1 97.51 85.71 17.21 o 4 8 1 231.13 230.12 21.04 o 5 8 1 1279.50 1330.00 65.40 o 6 8 1 3530.78 3353.49 102.48 o 7 8 1 2729.03 2741.68 67.46 o 8 8 1 49.67 54.93 27.51 o 9 8 1 585.89 611.24 39.99 o 10 8 1 1188.97 1205.08 54.59 o -9 9 1 622.59 528.22 40.09 o -8 9 1 7774.69 7882.54 145.39 o -7 9 1 1847.74 1792.58 58.14 o -6 9 1 1678.63 1635.46 54.44 o -5 9 1 3943.85 4003.23 64.35 o -4 9 1 7053.49 6979.77 163.00 o -3 9 1 59.25 52.73 17.85 o -2 9 1 312.77 319.45 36.12 o -1 9 1 13727.45 13228.21 189.97 o 0 9 1 1479.67 1450.24 40.55 o 1 9 1 53.97 58.47 18.76 o 2 9 1 649.47 631.26 30.97 o 3 9 1 2248.30 2252.78 40.86 o 4 9 1 934.52 918.96 67.73 o 5 9 1 4774.92 4721.93 72.42 o 6 9 1 15.17 -5.56 23.37 o 7 9 1 66.95 93.92 28.21 o 8 9 1 2038.23 2138.41 111.98 o 9 9 1 4319.34 4324.57 95.98 o -9 10 1 269.46 303.03 37.92 o -8 10 1 111.14 135.39 34.02 o -7 10 1 869.54 875.82 59.60 o -6 10 1 464.52 443.21 35.72 o -5 10 1 206.69 224.22 22.08 o -4 10 1 2114.38 2083.27 52.54 o -3 10 1 2127.87 2057.06 50.98 o -2 10 1 3841.45 3585.82 108.37 o -1 10 1 3189.64 3102.25 84.44 o 0 10 1 132.27 134.96 21.60 o 1 10 1 983.18 955.16 37.99 o 2 10 1 787.69 736.04 36.33 o 3 10 1 4244.61 4077.63 78.18 o 4 10 1 3015.60 3015.03 114.69 o 5 10 1 2518.64 2451.49 50.81 o 6 10 1 41.95 32.78 27.26 o 7 10 1 3105.51 2999.41 76.76 o 8 10 1 5394.54 5303.21 108.84 o -7 11 1 1452.84 1490.51 91.21 o -6 11 1 249.98 334.37 36.19 o -5 11 1 2493.66 2439.56 70.49 o -4 11 1 733.56 722.52 35.05 o -3 11 1 1208.48 1264.10 46.50 o -2 11 1 1918.74 1887.06 52.68 o -1 11 1 1974.29 1860.42 53.64 o 0 11 1 7481.89 7190.62 192.35 o 1 11 1 2657.19 2483.87 60.28 o 2 11 1 5934.61 5612.46 100.87 o 3 11 1 1216.98 1231.53 128.69 o 4 11 1 8553.91 8544.56 139.39 o 5 11 1 1042.86 995.79 69.53 o 6 11 1 2114.57 2140.68 68.91 o 7 11 1 211.29 245.68 37.27 o -6 12 1 483.10 421.34 39.92 o -5 12 1 427.86 403.88 41.21 o -4 12 1 1380.12 1404.62 50.40 o -3 12 1 1257.66 1183.72 46.93 o -2 12 1 796.42 795.19 38.95 o -1 12 1 2643.45 2612.41 65.76 o 0 12 1 1869.50 1835.18 83.99 o 1 12 1 2307.32 2388.54 61.60 o 2 12 1 197.98 128.10 25.81 o 3 12 1 3428.22 3323.63 75.57 o 4 12 1 6.99 -14.30 25.07 o 5 12 1 963.42 973.52 50.90 o 6 12 1 4312.52 4351.85 101.04 o -3 13 1 7135.48 7164.56 128.31 o -2 13 1 468.08 450.07 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