#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/82/2218267.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_2218267_Fobs loop_ _publ_author_name 'Yap, Quai Ling' 'Lo, Kong Mun' 'Ng, Seik Weng' _publ_section_title ; Bis[4-(dimethylamino)pyridinium] tetrabromidodiphenylstannate(IV) ; _journal_coeditor_code TK2264 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m696 _journal_volume 64 _journal_year 2008 _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 94.126 _cell_angle_gamma 90.000 _cell_length_a 10.7803 _cell_length_b 9.3847 _cell_length_c 14.4068 _exptl_crystal_F_000 812.00 _reflns_d_resolution_high 0.7697 _[local]_cod_data_source_file tk2264Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P21/n' _shelx_refln_list_code 4 _shelx_F_calc_maximum 300.78 _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 10759.41 11197.70 129.92 o 4 0 0 58425.82 57873.21 623.22 o 6 0 0 2489.34 2356.16 69.49 o 8 0 0 5286.14 5598.50 154.72 o 10 0 0 6544.28 6626.16 206.34 o 12 0 0 1088.95 976.85 117.95 o 1 1 0 23267.76 23231.54 190.80 o 2 1 0 133.32 141.22 19.33 o 3 1 0 485.19 463.30 23.31 o 4 1 0 8455.23 8373.06 86.61 o 5 1 0 7673.66 7625.04 84.75 o 6 1 0 6735.61 6738.67 82.53 o 7 1 0 776.73 815.61 32.77 o 8 1 0 1819.80 1761.91 55.77 o 9 1 0 3044.59 2968.95 88.39 o 10 1 0 0.67 -40.52 34.07 o 11 1 0 10.50 30.19 46.21 o 12 1 0 145.24 256.65 87.79 o 13 1 0 1106.55 1245.21 105.28 o 0 2 0 1750.63 1794.79 75.27 o 1 2 0 377.94 412.89 16.64 o 2 2 0 38142.30 38684.94 317.62 o 3 2 0 499.03 573.43 21.09 o 4 2 0 14786.74 14430.77 149.88 o 5 2 0 1523.95 1546.22 40.21 o 6 2 0 15.83 25.16 18.63 o 7 2 0 119.59 89.16 22.83 o 8 2 0 33997.28 33310.05 304.91 o 9 2 0 163.48 184.35 32.29 o 10 2 0 3825.72 3791.48 98.54 o 11 2 0 359.77 345.35 55.51 o 12 2 0 12021.57 12028.51 229.01 o 13 2 0 25.99 14.11 69.30 o 1 3 0 1641.47 1570.77 31.20 o 2 3 0 5464.09 5757.71 67.15 o 3 3 0 522.43 528.46 23.61 o 4 3 0 6630.00 6725.28 77.15 o 5 3 0 9122.68 8743.71 108.84 o 6 3 0 2340.37 2267.52 55.22 o 7 3 0 3283.95 3184.78 59.29 o 8 3 0 270.41 281.07 31.50 o 9 3 0 13525.00 13259.20 153.76 o 10 3 0 1004.07 1016.52 57.68 o 11 3 0 3067.29 3095.61 102.15 o 12 3 0 234.73 265.07 91.84 o 13 3 0 3764.00 3668.59 192.23 o 0 4 0 49816.82 47623.97 729.19 o 1 4 0 1556.19 1518.35 35.13 o 2 4 0 1937.40 1918.93 41.17 o 3 4 0 1339.16 1310.52 33.37 o 4 4 0 27947.96 27704.75 246.05 o 5 4 0 2700.14 2619.26 48.99 o 6 4 0 525.38 526.24 29.64 o 7 4 0 11.00 10.83 24.12 o 8 4 0 1867.33 1945.66 62.03 o 9 4 0 104.40 81.06 38.08 o 10 4 0 2215.60 2207.13 98.60 o 11 4 0 220.79 211.03 51.42 o 12 4 0 1893.81 2019.92 172.12 o 13 4 0 359.22 369.00 80.02 o 1 5 0 19608.22 19290.46 208.28 o 2 5 0 497.97 517.08 32.59 o 3 5 0 10282.51 9971.08 126.62 o 4 5 0 2794.52 2950.54 55.77 o 5 5 0 6356.37 6387.17 90.01 o 6 5 0 1015.85 1015.37 45.84 o 7 5 0 244.19 257.30 36.20 o 8 5 0 1088.53 1123.79 53.00 o 9 5 0 342.00 406.81 46.14 o 10 5 0 19.85 11.58 43.51 o 11 5 0 257.44 279.47 53.62 o 12 5 0 1.57 3.74 54.76 o 0 6 0 8071.71 7986.50 215.12 o 1 6 0 349.83 405.07 25.67 o 2 6 0 1071.22 1093.59 38.09 o 3 6 0 6014.10 6005.14 105.90 o 4 6 0 14174.76 14191.23 175.53 o 5 6 0 657.33 650.96 36.04 o 6 6 0 112.90 113.86 30.46 o 7 6 0 3313.40 3363.71 86.74 o 8 6 0 11371.02 11762.97 176.21 o 9 6 0 0.11 14.48 42.78 o 10 6 0 98.51 69.57 48.93 o 11 6 0 41.02 -1.79 52.23 o 12 6 0 4587.67 4975.20 136.73 o 1 7 0 158.73 160.47 26.05 o 2 7 0 1.61 14.73 24.05 o 3 7 0 238.53 269.41 32.87 o 4 7 0 9.79 37.70 24.47 o 5 7 0 4250.35 4375.45 111.78 o 6 7 0 288.85 260.28 48.93 o 7 7 0 3643.00 3681.74 92.83 o 8 7 0 4.10 104.14 51.80 o 9 7 0 7887.77 8284.71 201.81 o 10 7 0 108.28 86.70 75.58 o 11 7 0 1194.61 1207.51 113.12 o 0 8 0 12870.86 13046.73 280.47 o 1 8 0 1993.87 1964.52 54.79 o 2 8 0 159.86 158.79 35.63 o 3 8 0 390.38 320.68 47.07 o 4 8 0 9279.58 9627.37 165.86 o 5 8 0 4492.00 4459.43 314.77 o 6 8 0 33.09 103.94 61.42 o 7 8 0 512.14 505.17 77.62 o 8 8 0 6899.96 6928.52 186.62 o 9 8 0 351.37 345.15 83.63 o 10 8 0 9.67 37.73 82.84 o 1 9 0 6061.77 6251.04 135.57 o 2 9 0 823.01 875.70 64.99 o 3 9 0 2711.73 2660.59 296.75 o 4 9 0 46.48 81.77 82.33 o 5 9 0 1231.90 1282.88 167.15 o 6 9 0 374.77 350.81 73.27 o 7 9 0 10.27 25.45 71.46 o 8 9 0 8.23 102.38 77.46 o 9 9 0 44.03 110.40 83.97 o 0 10 0 8964.83 8874.42 244.78 o 1 10 0 255.19 266.07 61.89 o 2 10 0 375.76 370.55 75.53 o 3 10 0 2619.51 3192.49 171.43 o 4 10 0 6978.98 6893.01 237.16 o 5 10 0 507.47 480.54 109.55 o 6 10 0 83.94 121.48 107.96 o 7 10 0 893.72 977.06 138.67 o 1 11 0 109.20 43.51 63.48 o 2 11 0 183.06 57.54 102.04 o 3 11 0 316.14 245.21 107.35 o 4 11 0 1300.10 1326.49 266.33 o 5 11 0 1157.32 980.58 161.33 o 6 11 0 351.86 333.48 128.58 o 0 12 0 298.49 295.75 108.86 o 1 12 0 751.76 558.52 129.12 o 2 12 0 944.42 853.83 133.44 o -13 0 1 7335.79 7420.82 261.83 o -11 0 1 572.22 657.05 99.43 o -9 0 1 2052.47 2102.80 141.59 o -7 0 1 4528.34 4246.25 107.04 o -5 0 1 8048.38 8506.31 139.93 o -3 0 1 125.56 126.02 21.12 o -1 0 1 32074.43 31569.15 665.63 o 1 0 1 12492.64 12317.08 306.75 o 3 0 1 74298.06 73236.44 775.57 o 5 0 1 12418.76 12470.98 161.46 o 7 0 1 10653.77 10373.64 180.90 o 9 0 1 340.60 328.89 53.47 o 11 0 1 161.17 76.13 61.17 o 13 0 1 137.36 150.83 102.56 o -13 1 1 2410.63 2350.38 116.84 o -12 1 1 5541.19 5461.95 173.09 o -11 1 1 1797.93 1991.20 95.16 o -10 1 1 255.90 315.03 65.15 o -9 1 1 831.06 831.13 44.79 o -8 1 1 6081.91 5867.52 91.89 o -7 1 1 299.41 295.20 27.38 o -6 1 1 502.58 522.82 25.13 o -5 1 1 3754.37 3699.65 52.31 o -4 1 1 21263.61 21248.90 187.54 o -3 1 1 35133.73 34658.17 313.51 o -2 1 1 4029.16 4005.82 48.07 o -1 1 1 1701.78 1781.97 22.58 o 0 1 1 22590.90 22796.44 243.02 o 1 1 1 673.79 702.68 10.58 o 2 1 1 100.66 139.85 12.25 o 3 1 1 3346.29 3446.27 69.31 o 4 1 1 35247.39 34616.18 292.39 o 5 1 1 6736.62 6832.39 79.15 o 6 1 1 80.52 80.05 19.18 o 7 1 1 9315.39 9323.14 108.70 o 8 1 1 16292.61 16004.95 167.78 o 9 1 1 1319.97 1301.89 52.14 o 10 1 1 974.76 1065.70 60.22 o 11 1 1 717.00 740.89 64.21 o 12 1 1 4762.23 4757.88 142.57 o 13 1 1 254.40 379.39 79.33 o -13 2 1 5410.94 5674.70 163.14 o -12 2 1 141.42 48.62 63.39 o -11 2 1 147.65 102.82 67.92 o -10 2 1 6.90 -13.63 40.84 o -9 2 1 18048.13 17925.13 232.07 o -8 2 1 60.30 77.38 26.30 o -7 2 1 4947.37 4829.42 72.40 o -6 2 1 1.96 9.63 17.96 o -5 2 1 26170.00 24932.82 244.67 o -4 2 1 571.12 556.33 24.52 o -3 2 1 8229.55 8181.52 91.00 o -2 2 1 10799.96 10797.04 107.31 o -1 2 1 20380.50 20370.86 169.86 o 0 2 1 1073.33 1146.68 26.72 o 1 2 1 7164.38 7728.22 83.06 o 2 2 1 1339.72 1419.78 25.11 o 3 2 1 1552.25 1555.42 32.23 o 4 2 1 1047.33 1127.21 32.52 o 5 2 1 36.87 25.38 18.33 o 6 2 1 1476.39 1429.00 38.53 o 7 2 1 2357.13 2302.53 51.48 o 8 2 1 48.09 46.80 26.80 o 9 2 1 3365.86 3341.60 70.37 o 10 2 1 19.59 -21.48 33.19 o 11 2 1 4682.97 4709.12 149.36 o 12 2 1 3.57 108.22 57.51 o 13 2 1 4929.99 5155.20 157.18 o -13 3 1 709.22 1061.47 96.89 o -12 3 1 5107.07 5252.49 148.58 o -11 3 1 2214.82 2231.20 87.26 o -10 3 1 647.68 680.96 68.73 o -9 3 1 58.62 77.81 36.90 o -8 3 1 23631.05 22889.96 251.01 o -7 3 1 179.40 153.76 24.99 o -6 3 1 544.91 605.02 33.91 o -5 3 1 11385.95 11613.97 133.68 o -4 3 1 31322.48 31126.96 270.56 o -3 3 1 6023.73 6111.84 69.21 o -2 3 1 432.27 409.05 20.56 o -1 3 1 15260.45 15362.14 146.35 o 0 3 1 15926.52 15819.18 184.66 o 1 3 1 247.46 298.94 21.40 o 2 3 1 9736.42 9939.88 102.03 o 3 3 1 108.77 109.54 13.98 o 4 3 1 16563.23 16603.76 155.17 o 5 3 1 6743.03 6730.13 80.56 o 6 3 1 2780.81 2771.49 73.28 o 7 3 1 2894.79 2824.73 64.78 o 8 3 1 14950.08 14643.84 160.32 o 9 3 1 2997.70 2878.36 102.66 o 10 3 1 21.77 13.26 40.01 o 11 3 1 116.14 120.50 48.49 o 12 3 1 12261.70 11910.72 199.61 o 13 3 1 19.95 20.80 70.34 o -13 4 1 3286.74 3494.17 158.91 o -12 4 1 1116.40 1248.25 92.05 o -11 4 1 31.34 -26.38 46.35 o -10 4 1 783.69 839.81 57.33 o -9 4 1 3149.34 3174.37 81.15 o -8 4 1 478.59 576.63 43.81 o -7 4 1 1123.11 1109.79 49.26 o -6 4 1 1819.69 1924.74 47.22 o -5 4 1 3295.30 3351.67 56.18 o -4 4 1 3336.27 3465.44 53.87 o -3 4 1 1184.92 1186.75 52.53 o -2 4 1 3035.16 2898.83 46.60 o -1 4 1 12284.48 11820.57 121.36 o 0 4 1 1051.91 1067.16 48.85 o 1 4 1 6150.95 5907.97 90.68 o 2 4 1 434.38 469.01 22.92 o 3 4 1 15445.42 14935.76 152.14 o 4 4 1 1510.20 1549.53 42.69 o 5 4 1 4742.41 4576.25 64.97 o 6 4 1 2627.74 2667.61 51.47 o 7 4 1 6860.84 6555.00 102.58 o 8 4 1 4160.61 4166.64 86.10 o 9 4 1 656.88 703.92 43.34 o 10 4 1 214.84 239.75 46.15 o 11 4 1 88.88 93.77 49.03 o 12 4 1 7.40 -32.97 52.24 o 13 4 1 261.02 224.57 76.28 o -12 5 1 2665.13 2631.45 94.26 o -11 5 1 215.55 187.76 62.66 o -10 5 1 359.84 303.83 54.24 o -9 5 1 9.86 26.97 39.17 o -8 5 1 3119.57 3191.83 78.73 o -7 5 1 730.69 686.61 37.03 o -6 5 1 3283.55 3350.73 83.41 o -5 5 1 207.25 211.79 24.50 o -4 5 1 9925.85 9737.05 117.39 o -3 5 1 6425.07 6353.17 93.10 o -2 5 1 204.78 270.60 21.56 o -1 5 1 3965.37 4343.82 68.01 o 0 5 1 45580.13 44755.46 495.30 o 1 5 1 851.94 967.53 33.46 o 2 5 1 3865.38 3827.42 68.70 o 3 5 1 948.56 982.39 39.91 o 4 5 1 37318.29 36828.64 377.23 o 5 5 1 1620.06 1693.54 46.01 o 6 5 1 30.85 16.79 24.38 o 7 5 1 1705.19 1798.04 57.91 o 8 5 1 11187.06 11292.75 152.97 o 9 5 1 15.20 25.97 39.48 o 10 5 1 2081.82 2181.24 77.48 o 11 5 1 714.57 719.48 62.04 o 12 5 1 2480.02 2472.23 119.50 o -12 6 1 967.00 1085.64 76.24 o -11 6 1 16.68 -22.52 50.79 o -10 6 1 2295.94 2447.16 148.89 o -9 6 1 6397.81 6151.95 115.39 o -8 6 1 160.19 218.53 41.89 o -7 6 1 756.08 804.70 47.70 o -6 6 1 268.85 267.65 33.44 o -5 6 1 8540.15 8557.99 161.59 o -4 6 1 4858.64 4962.96 114.16 o -3 6 1 160.23 178.27 27.80 o -2 6 1 4312.30 4145.61 67.06 o -1 6 1 7933.12 7655.67 96.52 o 0 6 1 4389.69 4321.48 88.05 o 1 6 1 687.22 821.74 35.07 o 2 6 1 95.21 49.13 28.22 o 3 6 1 4375.59 4400.63 78.00 o 4 6 1 1367.53 1426.81 48.87 o 5 6 1 64.74 74.83 26.56 o 6 6 1 5376.03 5471.23 102.37 o 7 6 1 2720.65 2682.71 96.95 o 8 6 1 2606.76 2765.63 84.02 o 9 6 1 1328.29 1360.71 108.96 o 10 6 1 1842.57 1769.73 106.44 o 11 6 1 2049.09 2036.89 171.69 o 12 6 1 188.49 235.12 91.23 o -11 7 1 174.84 250.51 85.38 o -10 7 1 477.73 596.46 65.85 o -9 7 1 155.40 142.94 56.96 o -8 7 1 12317.17 12723.18 190.77 o -7 7 1 203.60 225.77 52.89 o -6 7 1 2481.31 2484.86 87.29 o -5 7 1 426.94 460.74 47.67 o -4 7 1 14961.79 14552.12 185.84 o -3 7 1 25.52 69.41 29.87 o -2 7 1 264.65 327.70 30.58 o -1 7 1 22.50 49.79 23.47 o 0 7 1 5547.90 5586.87 109.03 o 1 7 1 389.08 433.29 53.08 o 2 7 1 3639.98 3573.27 81.03 o 3 7 1 48.34 62.82 28.91 o 4 7 1 1868.39 1814.85 76.32 o 5 7 1 624.54 637.37 60.12 o 6 7 1 992.27 1046.41 87.06 o 7 7 1 9.67 93.07 57.89 o 8 7 1 10203.91 9548.27 212.07 o 9 7 1 412.45 279.02 78.36 o 10 7 1 370.37 293.15 85.90 o 11 7 1 12.58 -111.36 74.24 o -10 8 1 181.66 180.73 88.08 o -9 8 1 4406.53 4718.22 161.13 o -8 8 1 131.86 159.67 71.02 o -7 8 1 310.73 415.74 73.26 o -6 8 1 1202.16 924.30 77.40 o -5 8 1 7755.93 8062.42 133.78 o -4 8 1 3235.79 3153.37 82.89 o -3 8 1 55.97 25.34 34.18 o -2 8 1 6757.51 6695.67 100.52 o -1 8 1 4277.11 4360.81 87.92 o 0 8 1 1579.98 1555.93 69.02 o 1 8 1 1409.99 1354.56 62.09 o 2 8 1 355.69 327.76 45.03 o 3 8 1 4198.76 4298.48 123.52 o 4 8 1 1114.36 1161.12 77.39 o 5 8 1 403.41 348.72 63.46 o 6 8 1 1958.07 1898.53 100.92 o 7 8 1 2711.37 2467.74 115.44 o 8 8 1 2123.96 2081.22 142.83 o 9 8 1 943.30 1107.60 101.13 o 10 8 1 1556.04 1473.21 115.60 o -9 9 1 111.22 247.76 111.60 o -8 9 1 407.17 309.62 110.21 o -7 9 1 119.84 156.68 209.91 o -6 9 1 1021.99 1160.03 122.12 o -5 9 1 453.33 486.62 102.89 o -4 9 1 3217.58 3344.04 125.08 o -3 9 1 67.75 0.37 59.88 o -2 9 1 4.07 -63.62 46.42 o -1 9 1 2119.71 1876.14 93.93 o 0 9 1 13123.01 13238.91 211.16 o 1 9 1 4.55 29.69 47.96 o 2 9 1 2093.31 2195.67 83.77 o 3 9 1 91.76 200.97 58.81 o 4 9 1 12215.15 12357.58 836.19 o 5 9 1 962.98 996.33 85.72 o 6 9 1 127.83 136.02 68.04 o 7 9 1 88.43 88.96 72.59 o 8 9 1 3122.63 3477.29 324.28 o 9 9 1 978.11 938.14 104.09 o -8 10 1 8.22 -76.83 108.72 o -7 10 1 84.86 169.63 110.17 o -6 10 1 164.49 232.90 107.13 o -5 10 1 1467.61 1348.25 133.00 o -4 10 1 2042.04 2196.48 152.57 o -3 10 1 272.17 205.53 93.06 o -2 10 1 1713.36 1629.46 85.17 o -1 10 1 3908.62 3729.25 114.90 o 0 10 1 2046.55 2109.05 127.06 o 1 10 1 1049.31 1127.28 123.81 o 2 10 1 36.01 74.83 88.25 o 3 10 1 3731.51 3700.80 173.36 o 4 10 1 47.24 20.53 89.64 o 5 10 1 1622.91 1605.81 142.30 o 6 10 1 1419.45 1429.91 167.67 o 7 10 1 780.74 830.84 133.46 o -6 11 1 894.68 664.53 136.37 o -5 11 1 78.95 71.85 109.32 o -4 11 1 4390.44 4710.49 225.63 o -3 11 1 1461.57 1510.67 145.87 o -2 11 1 19.22 -77.43 75.12 o -1 11 1 414.02 380.70 73.60 o 0 11 1 1295.59 1466.13 92.35 o 1 11 1 623.64 461.77 106.98 o 2 11 1 919.56 937.12 127.73 o 3 11 1 909.49 1010.42 128.97 o 4 11 1 1847.32 1824.44 152.78 o 5 11 1 31.43 -41.59 107.07 o -2 12 1 499.73 567.02 129.84 o -1 12 1 790.13 842.33 92.27 o 0 12 1 2.72 33.83 80.85 o 1 12 1 55.50 -56.83 104.18 o 2 12 1 373.19 515.69 129.92 o -12 0 2 3149.77 2928.52 195.32 o -10 0 2 121.85 148.62 104.41 o -8 0 2 835.75 907.71 57.84 o -6 0 2 2934.41 2894.51 76.04 o -4 0 2 9185.68 9494.78 182.47 o -2 0 2 10223.72 10861.11 146.34 o 2 0 2 16845.00 16835.00 189.24 o 4 0 2 74818.21 72411.99 774.12 o 6 0 2 420.14 425.01 31.26 o 8 0 2 20094.93 19803.87 306.80 o 10 0 2 707.48 791.56 72.74 o 12 0 2 1586.97 1449.48 136.94 o -13 1 2 5851.43 5767.27 162.44 o -12 1 2 217.61 310.88 68.94 o -11 1 2 170.51 101.87 56.14 o -10 1 2 3249.12 3172.07 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