#------------------------------------------------------------------------------ #$Date: 2016-04-03 06:41:17 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181275 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/53/2235305.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_2235305_Fobs loop_ _publ_author_name 'Najafi, Ezzatollah' 'Amini, Mostafa M.' 'Ng, Seik Weng' _publ_section_title ; 8-Hydroxy-2-methylquinolinium tetrachlorido(quinolin-8-olato-\k^2^N,O)stannate(IV) ; _journal_coeditor_code XU5531 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m738 _journal_volume 68 _journal_year 2012 _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 101.347 _cell_angle_gamma 90.000 _cell_length_a 8.9431 _cell_length_b 11.5892 _cell_length_c 20.1795 _exptl_crystal_F_000 1112.00 _reflns_d_resolution_high 0.7681 _cod_data_source_file xu5531Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P21/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 316.54 _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+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 2350.66 2075.08 51.36 o 2 0 0 4596.20 4423.87 106.55 o 3 0 0 2740.36 2597.79 71.30 o 4 0 0 6619.85 6228.01 102.05 o 5 0 0 8.34 21.33 9.73 o 6 0 0 49099.64 49255.19 584.75 o 7 0 0 1736.98 1725.48 87.55 o 8 0 0 2446.06 2156.47 106.18 o 9 0 0 930.03 841.32 71.98 o 10 0 0 8945.45 9284.26 655.23 o 11 0 0 1047.06 966.69 127.83 o 1 1 0 5108.37 5446.83 102.21 o 2 1 0 1.36 7.30 2.33 o 3 1 0 437.19 444.34 18.94 o 4 1 0 1486.09 1510.22 46.02 o 5 1 0 7548.85 7449.35 103.99 o 6 1 0 363.34 343.38 29.59 o 7 1 0 90.76 115.77 22.37 o 8 1 0 56.35 45.27 12.31 o 9 1 0 181.03 190.83 25.03 o 10 1 0 208.51 240.34 37.51 o 11 1 0 587.10 597.33 71.52 o 0 2 0 70075.77 66781.78 316.92 o 1 2 0 550.60 659.91 22.87 o 2 2 0 86353.20 84802.55 704.55 o 3 2 0 1072.59 1085.77 27.40 o 4 2 0 5407.72 5306.11 70.58 o 5 2 0 17.88 33.44 6.72 o 6 2 0 3308.74 3420.75 77.10 o 7 2 0 1099.56 1058.03 54.33 o 8 2 0 13685.88 13611.20 182.86 o 9 2 0 1121.57 1065.17 56.85 o 10 2 0 2619.91 2618.75 115.65 o 11 2 0 358.55 316.98 43.81 o 1 3 0 105.86 100.52 10.30 o 2 3 0 2379.91 2548.62 54.89 o 3 3 0 51965.78 51721.82 312.09 o 4 3 0 627.28 562.28 29.11 o 5 3 0 1203.68 1169.64 33.88 o 6 3 0 231.36 232.43 17.34 o 7 3 0 1262.03 1262.09 61.07 o 8 3 0 86.37 82.56 16.71 o 9 3 0 3613.12 3767.93 131.53 o 10 3 0 1.08 -17.92 23.81 o 11 3 0 641.64 622.74 79.28 o 0 4 0 1313.75 1215.67 43.27 o 1 4 0 6226.36 6213.19 67.59 o 2 4 0 12853.20 12844.82 120.24 o 3 4 0 1184.58 1348.39 37.51 o 4 4 0 1635.62 1660.92 62.96 o 5 4 0 3757.48 3544.60 89.74 o 6 4 0 318.19 345.64 26.73 o 7 4 0 1871.96 2067.07 469.17 o 8 4 0 4291.28 4531.30 267.53 o 9 4 0 182.79 165.69 30.49 o 10 4 0 685.79 767.33 64.72 o 11 4 0 83.09 101.25 34.92 o 1 5 0 12857.95 12562.71 96.22 o 2 5 0 21.73 11.33 2.97 o 3 5 0 16448.38 16554.99 122.75 o 4 5 0 2.43 4.53 5.85 o 5 5 0 13353.89 14234.99 283.53 o 6 5 0 15.50 70.71 21.38 o 7 5 0 2130.54 2244.38 87.77 o 8 5 0 926.77 928.41 86.77 o 9 5 0 2882.43 3048.86 118.33 o 10 5 0 75.45 55.20 41.79 o 0 6 0 477.29 513.33 39.06 o 1 6 0 1505.07 1653.28 41.00 o 2 6 0 608.21 528.67 24.22 o 3 6 0 39.67 51.88 6.08 o 4 6 0 1732.27 2642.03 353.19 o 6 6 0 29.72 376.82 339.63 o 7 6 0 290.13 390.65 38.65 o 8 6 0 138.31 149.05 47.82 o 9 6 0 22.92 -3.68 23.13 o 10 6 0 79.75 30.47 31.86 o 1 7 0 20000.78 19411.76 133.47 o 2 7 0 1998.98 1998.47 44.17 o 3 7 0 1327.54 1402.29 67.15 o 4 7 0 1822.18 1857.21 57.22 o 5 7 0 22475.31 23996.88 248.58 o 6 7 0 123.21 144.97 23.15 o 7 7 0 3821.70 4119.96 121.15 o 8 7 0 91.27 103.02 35.54 o 9 7 0 316.32 347.70 61.20 o 10 7 0 103.69 20.93 30.74 o 0 8 0 4371.49 4396.10 85.15 o 1 8 0 620.82 616.78 26.67 o 2 8 0 3365.03 3640.30 198.75 o 3 8 0 391.46 550.35 90.23 o 4 8 0 2570.55 2610.51 51.00 o 5 8 0 113.92 150.80 22.34 o 6 8 0 5762.91 6235.64 199.71 o 7 8 0 1860.60 1864.38 130.26 o 8 8 0 238.14 217.73 58.41 o 9 8 0 85.33 26.46 27.45 o 1 9 0 1070.48 1531.41 65.85 o 2 9 0 440.44 483.00 21.58 o 3 9 0 12616.70 12874.09 213.96 o 4 9 0 904.81 899.01 47.78 o 5 9 0 1181.72 1241.83 60.44 o 6 9 0 13.59 13.55 18.27 o 7 9 0 1648.76 1654.50 127.45 o 8 9 0 9.26 47.91 32.96 o 9 9 0 2393.39 2767.39 180.91 o 0 10 0 2638.91 3029.26 92.50 o 1 10 0 536.97 574.26 34.36 o 2 10 0 8241.59 8711.10 102.46 o 3 10 0 311.31 307.85 16.16 o 4 10 0 9439.31 9136.72 370.92 o 5 10 0 310.42 267.14 49.02 o 6 10 0 1917.66 1892.68 133.44 o 7 10 0 171.27 170.97 45.93 o 8 10 0 5576.50 5602.33 252.92 o 1 11 0 33.44 327.22 101.66 o 2 11 0 3187.21 3107.78 102.26 o 3 11 0 93.68 763.32 69.33 o 4 11 0 3108.90 3150.92 159.34 o 5 11 0 114.05 69.16 42.79 o 6 11 0 1235.38 1103.92 106.60 o 7 11 0 43.69 65.65 43.34 o 0 12 0 4948.77 5005.35 162.92 o 1 12 0 1085.71 1019.98 51.59 o 2 12 0 3226.02 3340.22 114.99 o 3 12 0 0.32 24.13 17.24 o 4 12 0 7623.93 7515.80 255.26 o 5 12 0 51.27 63.97 92.24 o 6 12 0 5689.27 5762.76 248.16 o 1 13 0 1037.73 1221.74 74.38 o 2 13 0 1607.12 1524.68 81.33 o 3 13 0 2989.78 2711.99 151.91 o 4 13 0 1523.00 1358.66 112.66 o 5 13 0 142.91 241.92 249.96 o 0 14 0 1052.75 1494.12 155.82 o 1 14 0 2133.90 2021.67 96.97 o 2 14 0 571.58 638.12 74.20 o 3 14 0 497.34 368.89 58.40 o 4 14 0 3473.63 3492.52 203.11 o 1 15 0 3172.39 3039.15 237.47 o -11 1 1 2959.40 2965.59 302.19 o -10 1 1 4159.67 4175.23 117.80 o -9 1 1 1901.73 1818.25 73.42 o -8 1 1 125.62 137.34 19.65 o -7 1 1 9967.56 10110.14 149.43 o -6 1 1 543.90 478.53 34.40 o -5 1 1 19754.07 19694.73 209.53 o -4 1 1 8068.37 7842.46 102.97 o -3 1 1 5098.13 4774.13 78.54 o -2 1 1 9201.73 9286.64 89.42 o -1 1 1 22950.50 24269.26 978.77 o 1 1 1 90274.70 84532.88 709.92 o 2 1 1 1529.81 1403.95 29.39 o 3 1 1 97.76 147.06 10.68 o 4 1 1 1413.57 1411.24 37.54 o 5 1 1 2341.29 1862.56 65.12 o 6 1 1 5948.25 5860.46 105.24 o 7 1 1 8794.32 8957.42 141.38 o 8 1 1 513.94 557.76 38.40 o 9 1 1 3433.65 3411.41 101.11 o 10 1 1 495.56 525.79 51.65 o 11 1 1 6251.89 5724.02 219.73 o -11 2 1 158.97 173.01 34.88 o -10 2 1 2192.63 1938.77 126.45 o -9 2 1 197.03 201.34 31.97 o -8 2 1 171.02 220.57 27.53 o -7 2 1 210.51 184.64 28.77 o -6 2 1 2945.98 2865.88 78.01 o -5 2 1 466.65 465.57 24.70 o -4 2 1 11876.67 11783.89 185.28 o -3 2 1 1213.54 1446.34 54.05 o -2 2 1 20156.54 20490.27 158.63 o -1 2 1 471.93 509.50 12.28 o 0 2 1 10931.80 10467.69 74.26 o 1 2 1 1180.73 1061.25 62.23 o 2 2 1 5363.71 5287.06 62.14 o 3 2 1 2475.65 2642.72 39.12 o 4 2 1 4878.93 4762.39 101.98 o 5 2 1 772.28 763.88 32.83 o 6 2 1 6207.28 6142.91 121.05 o 7 2 1 719.75 753.40 47.12 o 8 2 1 934.64 996.45 58.47 o 9 2 1 346.88 322.67 30.98 o 10 2 1 2601.03 2462.91 111.94 o 11 2 1 40.80 52.93 22.71 o -11 3 1 53.13 22.07 26.43 o -10 3 1 412.11 411.93 47.56 o -9 3 1 8987.09 9125.74 204.42 o -8 3 1 2666.08 2766.11 91.77 o -7 3 1 9116.97 9159.67 168.31 o -6 3 1 7.56 4.87 8.58 o -5 3 1 3.42 20.21 5.22 o -4 3 1 1454.98 1540.45 61.80 o -3 3 1 32713.78 33278.66 221.70 o -2 3 1 44555.55 46007.09 204.63 o -1 3 1 36820.07 36210.63 135.18 o 0 3 1 860.46 1002.47 19.52 o 1 3 1 2163.84 2009.55 28.43 o 2 3 1 521.32 568.85 38.20 o 3 3 1 15602.83 15745.91 163.57 o 4 3 1 9050.44 9348.32 105.28 o 5 3 1 62.67 50.17 11.30 o 6 3 1 1465.05 1488.08 47.52 o 7 3 1 4834.61 4623.25 93.79 o 8 3 1 655.69 621.80 46.94 o 9 3 1 7332.43 7412.16 183.44 o 10 3 1 0.41 -14.98 16.77 o 11 3 1 11.88 19.80 33.95 o -11 4 1 30.57 -7.19 22.81 o -10 4 1 650.24 686.27 61.14 o -9 4 1 1067.53 1112.32 73.22 o -8 4 1 10156.18 10527.78 278.89 o -7 4 1 4698.65 4824.75 131.08 o -6 4 1 1000.78 1069.19 51.06 o -5 4 1 168.29 160.18 17.92 o -4 4 1 19986.89 19907.05 749.20 o -3 4 1 3479.40 3519.67 66.06 o -2 4 1 67900.41 67247.21 214.84 o -1 4 1 3633.31 3578.75 47.62 o 0 4 1 715.08 592.37 17.41 o 1 4 1 2696.18 2725.95 38.54 o 2 4 1 23119.80 22209.88 161.76 o 3 4 1 13839.53 13763.41 355.50 o 4 4 1 15400.12 15687.66 163.25 o 5 4 1 2.57 91.78 92.80 o 6 4 1 3340.85 3394.53 98.53 o 7 4 1 334.94 370.22 55.04 o 8 4 1 10027.72 10370.77 279.08 o 9 4 1 646.72 678.96 56.70 o 10 4 1 1456.41 1474.47 119.23 o -10 5 1 45.27 33.34 27.52 o -9 5 1 2758.12 2619.82 127.75 o -8 5 1 388.79 583.71 208.55 o -7 5 1 144.07 659.97 107.19 o -6 5 1 1503.77 2310.43 82.69 o -5 5 1 1438.34 1586.52 54.30 o -4 5 1 480.50 671.96 74.18 o -3 5 1 263.86 351.83 25.59 o -2 5 1 1286.75 1123.10 28.42 o -1 5 1 4199.13 4125.94 57.08 o 0 5 1 397.56 404.33 16.26 o 1 5 1 3184.44 3083.75 47.44 o 2 5 1 4439.72 4316.67 76.07 o 3 5 1 153.08 184.46 25.85 o 4 5 1 3797.83 3885.46 107.31 o 5 5 1 171.27 360.73 153.85 o 6 5 1 998.73 954.31 51.13 o 7 5 1 359.59 368.14 36.01 o 8 5 1 44.44 34.64 23.96 o 9 5 1 399.99 409.99 63.68 o 10 5 1 165.84 99.91 63.30 o -10 6 1 1693.48 1824.06 180.26 o -9 6 1 56.11 34.06 29.63 o -8 6 1 948.74 818.92 84.84 o -7 6 1 3341.20 3453.54 87.61 o -6 6 1 11068.06 11316.67 148.83 o -5 6 1 11221.48 11635.13 162.60 o -4 6 1 17215.86 17591.69 154.73 o -3 6 1 780.60 882.27 25.67 o -2 6 1 7147.90 7359.34 81.08 o -1 6 1 7407.51 7663.42 85.49 o 0 6 1 23511.96 22552.97 139.01 o 1 6 1 10899.85 10675.07 89.70 o 2 6 1 6442.98 6317.57 67.47 o 3 6 1 2471.40 2428.16 79.07 o 4 6 1 8589.98 8601.36 126.22 o 5 6 1 630.07 621.73 38.42 o 6 6 1 15878.45 16765.70 337.82 o 7 6 1 1465.86 1501.55 83.75 o 8 6 1 945.22 894.59 57.18 o 9 6 1 510.57 524.67 73.14 o 10 6 1 3441.49 3412.60 193.22 o -10 7 1 142.92 158.82 49.58 o -9 7 1 52.16 57.81 22.99 o -8 7 1 773.89 918.31 92.94 o -7 7 1 121.96 6.11 33.93 o -6 7 1 692.81 845.44 52.17 o -5 7 1 5647.42 6058.39 129.75 o -3 7 1 1655.37 1742.94 39.74 o -2 7 1 1230.65 1283.37 36.97 o -1 7 1 176.11 203.69 21.98 o 0 7 1 3538.10 3602.08 60.19 o 1 7 1 2758.14 2843.08 66.01 o 2 7 1 226.09 248.64 14.00 o 3 7 1 2660.21 2705.28 49.90 o 4 7 1 1395.96 1450.27 64.84 o 5 7 1 1335.78 2084.80 394.14 o 6 7 1 338.72 383.93 33.13 o 7 7 1 853.50 946.88 56.25 o 8 7 1 20.43 14.35 61.62 o 9 7 1 149.11 126.78 44.27 o 10 7 1 935.06 971.76 106.72 o -9 8 1 1642.89 1673.89 136.84 o -8 8 1 591.47 642.04 81.77 o -7 8 1 299.61 330.73 36.05 o -6 8 1 8263.20 8749.71 169.60 o -5 8 1 3120.89 3286.45 69.28 o -4 8 1 1462.44 1973.01 97.62 o -3 8 1 2558.60 2701.25 56.24 o -2 8 1 4776.42 4912.40 78.11 o -1 8 1 120.91 225.29 62.88 o 0 8 1 4901.30 4989.74 139.74 o 1 8 1 4707.18 4514.84 65.73 o 2 8 1 1918.14 2188.45 91.51 o 3 8 1 1564.54 1510.14 64.72 o 4 8 1 9181.98 9529.14 132.21 o 5 8 1 9.92 19.75 8.09 o 6 8 1 4633.30 4887.08 109.33 o 7 8 1 1747.53 1678.58 124.13 o 8 8 1 748.90 735.68 105.82 o 9 8 1 28.40 4.63 28.68 o -9 9 1 415.37 316.81 62.51 o -8 9 1 1484.95 1515.33 129.61 o -7 9 1 1965.13 2215.71 146.69 o -6 9 1 477.43 508.21 51.67 o -5 9 1 8450.06 8537.06 240.35 o -4 9 1 313.11 324.27 17.63 o -3 9 1 4998.47 5112.92 83.13 o -2 9 1 1292.76 1283.07 53.50 o -1 9 1 3589.02 3705.38 73.94 o 0 9 1 742.07 763.92 34.16 o 1 9 1 7741.73 7662.69 86.22 o 2 9 1 1992.82 2070.73 43.04 o 3 9 1 8901.98 9395.66 226.61 o 4 9 1 513.96 594.88 32.22 o 5 9 1 5440.05 5735.33 210.78 o 6 9 1 35.96 15.56 15.09 o 7 9 1 1680.85 1682.61 129.49 o 8 9 1 169.19 179.76 54.54 o 9 9 1 2580.40 3054.69 190.98 o -8 10 1 443.05 426.60 73.77 o -7 10 1 2180.79 2364.18 157.24 o -6 10 1 0.42 -2.60 19.55 o -5 10 1 174.20 186.21 26.48 o -4 10 1 2030.17 2183.39 55.08 o -3 10 1 90.86 99.65 13.16 o -2 10 1 879.85 1235.79 87.47 o -1 10 1 1239.29 1332.90 48.81 o 0 10 1 2205.67 2416.30 69.26 o 1 10 1 117.59 598.58 222.61 o 2 10 1 5538.40 5921.52 122.78 o 3 10 1 309.62 248.40 33.18 o 4 10 1 1041.64 967.26 37.60 o 5 10 1 602.81 601.52 72.54 o 6 10 1 1.96 3.90 28.81 o 7 10 1 311.67 313.23 60.89 o 8 10 1 1798.78 1819.05 145.81 o -7 11 1 3478.92 3416.59 193.99 o -6 11 1 1653.03 1944.98 139.28 o -5 11 1 1735.08 1655.39 122.21 o -4 11 1 13.86 221.64 94.44 o -3 11 1 12390.54 12318.82 153.58 o -2 11 1 195.99 206.26 75.41 o -1 11 1 2024.47 2107.93 68.22 o 0 11 1 919.54 913.23 35.33 o 1 11 1 3990.21 4060.51 83.42 o 2 11 1 98.28 105.19 22.96 o 3 11 1 13877.64 14193.12 352.62 o 4 11 1 206.30 216.90 43.32 o 5 11 1 2735.95 2713.85 157.74 o 6 11 1 28.38 63.84 45.54 o 7 11 1 4336.90 4571.72 226.50 o -6 12 1 1.07 14.50 81.48 o -5 12 1 202.31 124.81 37.26 o -4 12 1 624.43 1069.29 333.63 o -3 12 1 869.69 803.25 80.52 o -2 12 1 3479.32 3652.44 132.41 o -1 12 1 415.78 519.05 42.03 o 0 12 1 313.49 590.47 109.10 o 1 12 1 108.46 108.00 22.96 o 2 12 1 7.94 67.12 37.11 o 3 12 1 57.28 124.43 150.00 o 4 12 1 467.21 482.23 71.90 o 5 12 1 68.73 98.69 34.73 o 6 12 1 13.56 38.16 32.53 o -5 13 1 2334.00 2431.33 158.45 o -4 13 1 4.69 215.14 61.89 o -3 13 1 1891.04 1899.16 193.69 o -2 13 1 30.34 161.50 52.96 o -1 13 1 3674.06 3753.51 126.49 o 0 13 1 205.44 154.95 21.99 o 1 13 1 2229.23 2139.25 96.81 o 2 13 1 75.12 111.61 31.74 o 3 13 1 766.80 746.86 115.43 o 4 13 1 1.40 12.29 83.10 o 5 13 1 7695.87 7704.37 302.16 o -4 14 1 982.50 1122.31 153.64 o -3 14 1 188.72 278.93 55.78 o -2 14 1 1624.94 1477.59 108.30 o -1 14 1 2360.04 2452.28 174.80 o 0 14 1 2566.28 2669.61 185.41 o 1 14 1 293.63 356.27 43.67 o 2 14 1 2774.50 2888.39 155.08 o 3 14 1 48.73 69.55 45.64 o 4 14 1 779.98 807.76 92.80 o -1 15 1 1722.40 1545.48 172.48 o 0 15 1 262.08 178.35 82.90 o 1 15 1 8.19 73.45 68.19 o -11 0 2 7840.14 7734.77 364.39 o -10 0 2 3385.97 3455.25 179.87 o -9 0 2 1887.46 1755.12 103.44 o -8 0 2 1133.29 1037.15 74.14 o -7 0 2 148.31 167.67 41.47 o -6 0 2 16007.21 15853.41 371.33 o -5 0 2 39978.98 35734.65 3759.45 o -4 0 2 262.09 209.79 24.99 o -3 0 2 6260.26 6220.58 115.81 o -2 0 2 5681.58 5313.04 127.83 o -1 0 2 49552.98 48982.38 315.40 o 1 0 2 32461.04 31624.59 443.93 o 2 0 2 3222.88 3344.31 48.73 o 3 0 2 464.87 433.32 27.85 o 4 0 2 7835.66 7577.88 191.23 o 5 0 2 18128.05 17535.10 594.99 o 6 0 2 12156.96 11034.20 208.63 o 7 0 2 8623.81 8563.35 196.99 o 8 0 2 1591.14 1610.15 93.18 o 9 0 2 19.99 -12.29 26.16 o 10 0 2 2490.21 2651.69 135.29 o 11 0 2 2464.55 2350.60 199.93 o -11 1 2 333.82 313.52 56.04 o -10 1 2 1038.99 1304.38 117.70 o -9 1 2 92.61 90.94 17.95 o -8 1 2 194.87 249.91 26.18 o -7 1 2 180.96 161.32 19.64 o -6 1 2 914.65 934.29 64.48 o -5 1 2 3588.56 3498.87 89.54 o -4 1 2 497.79 554.12 36.14 o -3 1 2 71.51 69.19 10.14 o 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