#------------------------------------------------------------------------------ #$Date: 2012-09-11 12:26:43 +0300 (Tue, 11 Sep 2012) $ #$Revision: 66590 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/50/2235070.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_2235070_Fobs loop_ _publ_author_name 'Najafi, Ezzatollah' 'Amini, Mostafa M.' 'Ng, Seik Weng' _publ_section_title ; 10-Hydroxybenzo[h]quinolin-1-ium tetrachlorido(pyridine-2-carboxylato-\k^2^N,O)stannate(IV) methanol monosolvate ; _journal_coeditor_code HG5222 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m743 _journal_volume 68 _journal_year 2012 _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 115.722 _cell_angle_gamma 90.000 _cell_length_a 31.5065 _cell_length_b 8.0802 _cell_length_c 20.0948 _exptl_crystal_F_000 2416.00 _reflns_d_resolution_high 0.7680 _[local]_cod_data_source_file hg5222Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 693.38 _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 4 0 0 11915.74 13064.17 325.93 o 6 0 0 106441.28 103970.52 1210.63 o 8 0 0 2434.36 2154.67 354.60 o 10 0 0 22936.27 21068.52 479.74 o 12 0 0 36592.36 34918.61 832.05 o 14 0 0 406.86 601.61 103.59 o 16 0 0 52483.45 52248.37 856.47 o 18 0 0 1084.52 999.58 152.13 o 20 0 0 16673.26 15882.29 780.23 o 22 0 0 4608.37 5123.55 308.53 o 24 0 0 9282.99 9217.49 501.85 o 26 0 0 12890.38 12770.76 1384.76 o 28 0 0 41806.36 40034.45 1608.53 o 30 0 0 1521.21 1407.65 245.20 o 32 0 0 38700.64 40014.54 1949.48 o 34 0 0 7754.75 7512.66 578.86 o 36 0 0 922.45 696.12 198.33 o 1 1 0 21734.39 21210.90 309.82 o 3 1 0 44691.17 46368.02 552.53 o 5 1 0 367.49 424.21 37.65 o 7 1 0 65851.55 66818.56 695.74 o 9 1 0 693.70 581.77 54.96 o 11 1 0 32646.40 33262.71 493.54 o 13 1 0 15528.91 16799.71 321.09 o 15 1 0 4155.52 4478.09 173.17 o 17 1 0 2279.31 2412.04 122.36 o 19 1 0 125.93 168.87 42.35 o 21 1 0 20562.43 20411.92 393.91 o 23 1 0 17425.60 18188.03 425.85 o 25 1 0 425.39 320.97 71.33 o 27 1 0 0.06 22.42 59.59 o 29 1 0 19868.04 19409.81 575.03 o 31 1 0 6973.17 7499.41 480.99 o 33 1 0 224.37 235.59 93.64 o 35 1 0 667.51 1035.80 302.21 o 0 2 0 75901.60 75009.45 713.84 o 2 2 0 3166.10 2885.05 77.04 o 4 2 0 81118.86 81738.13 434.30 o 6 2 0 1186.73 1183.53 84.21 o 8 2 0 1019.58 1092.88 49.06 o 10 2 0 2593.70 2356.40 115.62 o 12 2 0 59858.10 62156.47 574.34 o 14 2 0 755.29 665.88 62.21 o 16 2 0 12978.88 12019.75 306.67 o 18 2 0 2127.92 2036.30 110.48 o 20 2 0 13069.20 12624.15 366.55 o 22 2 0 10.41 12.30 42.24 o 24 2 0 4077.46 4054.87 199.35 o 26 2 0 60.87 49.25 60.02 o 28 2 0 2482.31 2252.83 190.47 o 30 2 0 11.71 17.06 66.51 o 32 2 0 3025.24 3253.99 413.69 o 34 2 0 1733.52 1421.34 386.66 o 36 2 0 257.73 518.28 212.55 o 1 3 0 17678.42 16333.24 243.04 o 3 3 0 132014.80 128894.90 586.85 o 5 3 0 10877.75 10142.30 178.95 o 7 3 0 204710.36 202625.55 1588.92 o 9 3 0 92860.63 92488.68 1162.12 o 11 3 0 2298.32 2149.38 93.69 o 13 3 0 15344.02 15663.74 316.59 o 15 3 0 211.51 287.17 26.76 o 17 3 0 602.91 593.49 57.97 o 19 3 0 13086.75 13399.43 270.52 o 21 3 0 2340.55 2349.33 124.49 o 23 3 0 23045.09 24196.64 516.16 o 25 3 0 9629.83 10283.20 289.63 o 27 3 0 2793.42 2857.71 320.32 o 29 3 0 10556.65 10991.30 734.21 o 31 3 0 13488.35 13943.62 1286.41 o 33 3 0 23.82 -132.71 233.08 o 35 3 0 13264.16 13685.60 908.59 o 0 4 0 203783.34 200587.78 1402.35 o 2 4 0 53848.51 54571.86 510.79 o 4 4 0 34017.41 33075.71 507.46 o 6 4 0 31090.84 30419.54 360.43 o 8 4 0 311.27 394.01 41.45 o 10 4 0 36327.23 37639.52 778.78 o 12 4 0 157.93 382.00 66.47 o 14 4 0 1983.10 2326.23 158.13 o 16 4 0 5652.99 6177.98 241.13 o 18 4 0 1166.18 1213.64 113.28 o 20 4 0 7871.42 7449.63 550.02 o 22 4 0 17840.01 16932.09 1344.81 o 24 4 0 4124.29 3472.75 166.46 o 26 4 0 3903.47 3329.25 419.59 o 28 4 0 11656.73 11535.95 934.28 o 30 4 0 191.26 92.04 349.87 o 32 4 0 7803.04 7729.20 689.16 o 34 4 0 1111.68 1017.81 303.06 o 1 5 0 600.67 685.75 72.65 o 3 5 0 9026.05 8633.31 244.71 o 5 5 0 23484.09 23269.62 379.37 o 7 5 0 4913.23 4662.18 168.66 o 9 5 0 21372.65 21021.33 301.28 o 11 5 0 1109.84 1284.68 137.77 o 13 5 0 1006.77 968.89 113.09 o 15 5 0 65.90 73.78 109.20 o 17 5 0 6405.23 6168.83 330.97 o 19 5 0 6700.40 7114.95 562.32 o 21 5 0 65.89 -133.26 141.88 o 23 5 0 5128.90 4758.28 511.19 o 25 5 0 941.29 605.47 283.40 o 27 5 0 177.28 -154.09 154.09 o 29 5 0 312.46 357.88 265.89 o 31 5 0 188.62 -93.02 170.52 o 0 6 0 136688.91 134541.20 1708.36 o 2 6 0 8732.04 7907.55 330.55 o 4 6 0 17589.69 17379.13 623.23 o 6 6 0 51202.40 50423.07 1057.63 o 8 6 0 1722.30 1680.38 123.36 o 10 6 0 26383.43 26894.30 508.91 o 12 6 0 50937.66 53382.81 1199.72 o 14 6 0 46.95 25.17 58.39 o 16 6 0 30237.86 29515.92 1582.11 o 18 6 0 19.45 -108.89 133.02 o 20 6 0 18606.28 18580.21 967.24 o 22 6 0 1994.31 1715.51 487.78 o 24 6 0 2.45 117.52 140.60 o 26 6 0 358.36 628.71 227.24 o 28 6 0 9311.66 8947.70 765.67 o 30 6 0 1.50 336.68 193.54 o 1 7 0 9330.07 9553.75 408.78 o 3 7 0 9437.00 9056.80 509.89 o 5 7 0 934.41 885.06 132.35 o 7 7 0 17965.00 18245.72 448.37 o 9 7 0 25720.43 27904.83 705.78 o 11 7 0 29.01 203.16 106.98 o 13 7 0 7086.14 7268.02 350.23 o 15 7 0 1717.33 1604.54 156.69 o 17 7 0 3929.52 4153.79 470.98 o 19 7 0 2390.18 2702.78 435.97 o 21 7 0 166.32 -115.09 127.62 o 23 7 0 3385.50 3376.90 459.76 o 25 7 0 6234.77 6003.59 634.38 o 27 7 0 232.32 324.27 238.06 o 0 8 0 7424.15 6964.97 467.47 o 2 8 0 479.14 578.97 111.68 o 4 8 0 330.17 263.04 101.12 o 6 8 0 52.70 -13.58 79.29 o 8 8 0 417.11 194.38 94.14 o 10 8 0 455.76 289.90 168.26 o 12 8 0 2737.42 2889.48 449.75 o 14 8 0 93.69 131.82 252.70 o 16 8 0 4332.39 3222.85 429.89 o 18 8 0 267.95 1.37 226.90 o 20 8 0 426.75 155.69 163.16 o 22 8 0 5748.51 6212.03 656.96 o 24 8 0 23.17 -62.85 225.34 o 1 9 0 2066.67 1958.26 189.06 o 3 9 0 20447.06 19446.06 655.16 o 5 9 0 11993.54 12262.81 550.18 o 7 9 0 9220.33 8453.75 1079.24 o 9 9 0 19863.13 21298.47 1026.37 o 11 9 0 16.36 -81.82 281.18 o 13 9 0 21073.90 21545.29 1096.80 o 15 9 0 43.59 43.45 173.46 o 17 9 0 1881.18 2024.96 382.48 o 19 9 0 11152.04 12298.62 912.36 o 0 10 0 17544.09 18733.52 1256.62 o 2 10 0 5621.24 6474.59 529.17 o 4 10 0 433.96 277.74 198.09 o 6 10 0 8368.24 8474.15 652.79 o 8 10 0 3841.15 3487.45 452.23 o 10 10 0 16441.12 15249.53 928.84 o -37 1 1 5244.80 5662.19 542.35 o -35 1 1 1459.69 1500.05 358.62 o -33 1 1 9046.26 9690.18 431.74 o -31 1 1 1178.48 1668.01 185.00 o -29 1 1 13887.93 14006.94 477.40 o -27 1 1 324.34 269.80 64.23 o -25 1 1 4794.72 4426.26 215.52 o -23 1 1 1341.92 1300.25 103.65 o -21 1 1 26283.26 26616.70 434.18 o -19 1 1 1551.49 1552.17 124.94 o -17 1 1 54139.59 52870.89 553.22 o -15 1 1 13187.12 13960.18 256.98 o -13 1 1 170751.63 170096.47 819.71 o -11 1 1 1523.41 1425.39 70.21 o -9 1 1 114691.77 115933.65 944.19 o -7 1 1 79356.95 80052.88 551.12 o -5 1 1 540.76 454.87 85.92 o -3 1 1 123676.95 123615.30 876.60 o -1 1 1 202540.64 197799.28 729.04 o 1 1 1 600.59 578.99 41.06 o 3 1 1 96407.93 98894.55 522.81 o 5 1 1 4172.39 3885.43 128.98 o 7 1 1 23743.59 23723.90 350.77 o 9 1 1 21675.83 21385.02 340.74 o 11 1 1 8452.76 8308.17 231.88 o 13 1 1 37078.38 37362.85 530.47 o 15 1 1 27868.40 27133.11 489.71 o 17 1 1 8427.14 8318.18 287.38 o 19 1 1 20078.27 19994.05 486.47 o 21 1 1 11748.90 12464.06 319.48 o 23 1 1 17920.58 17063.18 477.40 o 25 1 1 1197.95 1323.28 131.07 o 27 1 1 19767.62 19888.28 574.31 o 29 1 1 178.61 170.80 82.27 o 31 1 1 26979.76 26765.62 717.50 o 33 1 1 9246.34 9605.94 463.42 o 35 1 1 7454.67 7315.88 812.19 o -36 2 1 6068.80 6536.14 665.71 o -34 2 1 4626.47 4666.79 497.38 o -32 2 1 10620.37 9826.95 1327.09 o -30 2 1 4764.86 4916.01 278.34 o -28 2 1 7932.69 7662.03 332.96 o -26 2 1 2782.76 2855.71 170.04 o -24 2 1 3729.17 3803.14 183.08 o -22 2 1 3666.82 3674.20 169.54 o -20 2 1 43264.91 43771.92 510.15 o -18 2 1 142.87 111.48 48.12 o -16 2 1 85571.98 88324.95 726.10 o -14 2 1 46517.56 46382.06 501.70 o -12 2 1 847.31 481.22 55.20 o -10 2 1 369410.88 367756.91 2564.84 o -8 2 1 23131.26 23168.65 591.99 o -6 2 1 195233.92 196627.75 1589.50 o -4 2 1 49954.10 47043.75 462.08 o -2 2 1 5699.58 5745.47 127.93 o 0 2 1 174645.91 171767.19 1321.12 o 2 2 1 119230.86 117930.70 1179.59 o 4 2 1 61442.47 61739.22 668.30 o 6 2 1 64389.15 65613.41 591.19 o 8 2 1 68559.69 72225.73 704.37 o 10 2 1 8731.28 9576.07 287.37 o 12 2 1 33847.95 33608.27 516.54 o 14 2 1 93.53 36.96 41.70 o 16 2 1 9580.14 9824.66 272.83 o 18 2 1 8976.29 9302.20 247.50 o 20 2 1 33.28 43.33 53.71 o 22 2 1 19330.40 18791.80 418.76 o 24 2 1 362.73 365.91 74.60 o 26 2 1 6234.54 6076.94 410.33 o 28 2 1 18085.82 17985.46 540.93 o 30 2 1 13545.28 14280.74 498.81 o 32 2 1 554.11 611.33 209.28 o 34 2 1 30450.26 32598.37 1335.72 o -35 3 1 1413.06 1293.15 301.42 o -33 3 1 455.94 289.06 172.01 o -31 3 1 1511.47 1779.72 311.88 o -29 3 1 471.56 264.15 157.41 o -27 3 1 514.77 543.79 85.97 o -25 3 1 5791.13 5956.89 205.41 o -23 3 1 5278.55 5434.13 182.82 o -21 3 1 635.16 701.24 88.08 o -19 3 1 146.35 206.47 33.22 o -17 3 1 3511.33 3531.36 197.97 o -15 3 1 545.80 807.18 227.22 o -13 3 1 353.86 171.39 49.44 o -11 3 1 2026.30 1797.06 166.79 o -9 3 1 21260.96 21902.78 533.83 o -7 3 1 389.74 459.09 56.99 o -5 3 1 19306.97 19482.37 222.82 o -3 3 1 2398.23 2514.23 88.90 o -1 3 1 445.22 502.82 48.08 o 1 3 1 7130.48 7385.47 160.81 o 3 3 1 6970.95 7690.05 156.29 o 5 3 1 169.57 124.03 23.88 o 7 3 1 372.97 446.08 44.88 o 9 3 1 779.67 966.40 68.81 o 11 3 1 4562.41 4688.18 142.88 o 13 3 1 35787.19 37982.98 418.45 o 15 3 1 7100.70 7099.60 207.48 o 17 3 1 1283.88 1175.50 88.89 o 19 3 1 1407.61 1267.56 102.25 o 21 3 1 91.30 -23.84 41.60 o 23 3 1 1711.84 1690.20 125.33 o 25 3 1 527.91 489.36 97.59 o 27 3 1 127.46 106.66 59.36 o 29 3 1 226.31 -59.96 151.50 o 31 3 1 101.95 122.72 163.72 o 33 3 1 84.90 131.59 328.19 o -34 4 1 480.39 694.61 237.46 o -32 4 1 3664.41 4887.36 550.95 o -30 4 1 1890.25 2068.98 473.24 o -28 4 1 27.00 -31.39 162.45 o -26 4 1 12172.25 12414.46 773.10 o -24 4 1 4285.42 4376.39 452.58 o -22 4 1 16808.81 17100.75 848.78 o -20 4 1 10888.14 11250.43 664.22 o -18 4 1 3561.71 3358.24 354.22 o -16 4 1 5773.74 5858.89 574.48 o -14 4 1 11769.73 13659.02 895.75 o -12 4 1 5220.01 5503.75 194.98 o -10 4 1 82157.21 81907.84 831.88 o -8 4 1 51290.41 53017.42 462.23 o -6 4 1 60766.87 58233.55 564.73 o -4 4 1 106703.63 105953.47 765.90 o -2 4 1 8.51 -5.30 34.54 o 0 4 1 27218.13 25479.74 359.20 o 2 4 1 63964.32 63399.06 534.98 o 4 4 1 2994.72 3101.99 114.68 o 6 4 1 59907.56 60569.50 593.80 o 8 4 1 5878.88 6143.24 164.73 o 10 4 1 14162.39 13799.26 231.70 o 12 4 1 32.52 40.49 19.56 o 14 4 1 1235.26 1120.05 82.82 o 16 4 1 921.27 999.13 61.42 o 18 4 1 9794.94 9481.04 294.08 o 20 4 1 2802.36 2747.89 87.11 o 22 4 1 14210.98 14140.99 224.34 o 24 4 1 13183.69 12936.67 409.69 o 26 4 1 2786.28 2681.56 386.83 o 28 4 1 12125.37 12984.54 848.21 o 30 4 1 2146.33 1703.24 352.75 o 32 4 1 596.19 221.45 513.30 o -33 5 1 4146.63 5292.01 600.28 o -31 5 1 2079.61 2514.16 422.68 o -29 5 1 6111.22 6420.12 624.12 o -27 5 1 4175.60 4856.43 528.15 o -25 5 1 9054.81 9098.62 1601.04 o -23 5 1 10797.80 10444.51 777.71 o -21 5 1 14015.25 14119.03 800.13 o -19 5 1 3781.29 3828.24 413.40 o -17 5 1 11870.32 11780.61 684.10 o -15 5 1 9809.26 8669.47 855.72 o -13 5 1 58188.64 57909.20 721.38 o -11 5 1 5887.37 5845.08 402.66 o -9 5 1 49711.76 50613.61 494.68 o -7 5 1 75917.28 77026.41 741.47 o -5 5 1 3469.80 2886.17 156.25 o -3 5 1 54146.31 54018.97 680.89 o -1 5 1 97472.49 95816.18 841.34 o 1 5 1 4001.55 3884.68 171.42 o 3 5 1 80398.45 79181.99 798.55 o 5 5 1 12292.46 11841.86 371.68 o 7 5 1 9467.30 9179.78 229.54 o 9 5 1 15873.67 15705.02 361.82 o 11 5 1 13251.23 13129.84 573.22 o 13 5 1 7048.82 7488.77 348.38 o 15 5 1 12548.90 13679.13 447.47 o 17 5 1 7841.29 8312.39 457.73 o 19 5 1 23457.31 24206.06 590.06 o 21 5 1 2634.57 2559.83 364.40 o 23 5 1 751.36 970.17 240.11 o 25 5 1 12261.63 12853.11 842.29 o 27 5 1 16402.02 16450.87 984.05 o 29 5 1 2497.60 2438.52 948.52 o 31 5 1 24173.22 26877.69 1363.87 o -30 6 1 290.67 405.06 169.27 o -28 6 1 0.75 -26.79 195.10 o -26 6 1 26.11 111.19 141.41 o -24 6 1 42.59 53.82 187.90 o -22 6 1 31.42 -42.19 232.62 o -20 6 1 2253.74 2024.39 340.15 o -18 6 1 2299.56 2371.93 352.30 o -16 6 1 8147.00 8468.45 609.11 o -14 6 1 2371.68 2244.56 163.18 o -12 6 1 4393.52 5004.32 287.71 o -10 6 1 14208.95 14604.72 300.03 o -8 6 1 1969.24 2033.17 152.64 o -6 6 1 1276.25 1417.95 122.01 o -4 6 1 1543.26 1526.77 131.60 o -2 6 1 2423.64 2485.73 196.78 o 0 6 1 6.57 -16.86 89.79 o 2 6 1 760.34 617.15 177.30 o 4 6 1 521.40 535.44 105.01 o 6 6 1 1233.33 1040.75 94.19 o 8 6 1 7500.64 7813.08 229.88 o 10 6 1 18.26 68.32 52.46 o 12 6 1 7264.90 7021.20 243.40 o 14 6 1 340.90 266.85 89.49 o 16 6 1 4417.38 4598.62 300.52 o 18 6 1 633.26 379.91 136.27 o 20 6 1 972.32 1341.36 290.63 o 22 6 1 522.62 611.65 222.65 o 24 6 1 0.99 -16.92 121.56 o 26 6 1 32.95 24.87 120.88 o 28 6 1 537.66 553.58 226.79 o -27 7 1 284.37 169.22 331.98 o -25 7 1 3258.76 3851.46 500.43 o -23 7 1 807.20 394.59 283.58 o -21 7 1 671.82 715.40 237.62 o -19 7 1 6462.54 7148.41 626.41 o -17 7 1 7111.58 6822.93 650.19 o -15 7 1 1162.82 1088.97 248.26 o -13 7 1 17131.33 17938.38 575.47 o -11 7 1 6596.79 6331.47 304.54 o -9 7 1 1243.87 1292.36 117.60 o -7 7 1 15453.23 16034.70 663.31 o -5 7 1 10129.54 9985.29 411.81 o -3 7 1 12657.08 11941.33 454.18 o -1 7 1 59433.64 59365.02 1183.47 o 1 7 1 1179.03 1116.17 130.19 o 3 7 1 43997.89 43896.17 746.57 o 5 7 1 723.00 467.87 148.24 o 7 7 1 12885.21 12993.23 404.65 o 9 7 1 3251.78 2906.06 241.13 o 11 7 1 3239.52 3260.97 257.51 o 13 7 1 52.84 44.72 56.92 o 15 7 1 4200.46 4114.95 391.93 o 17 7 1 126.05 6.27 210.32 o 19 7 1 1385.72 742.76 233.05 o 21 7 1 4970.97 4715.33 543.02 o 23 7 1 11.02 -166.54 166.54 o 25 7 1 3246.87 3413.96 692.67 o -24 8 1 648.04 771.06 343.96 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