#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2206947.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_2206947_Fobs loop_ _publ_author_name 'Li, Hai-Tang' 'Sun, Rui' 'Shi, He-Ping' 'Huang, Shu-Ping' _publ_section_title ; 2-(2-Ammoniophenylamino)ethanaminium hexachlorostannate(IV) monohydrate ; _journal_coeditor_code FL6183 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2088 _journal_page_last m2089 _journal_volume 61 _journal_year 2005 _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 92.985 _cell_angle_gamma 90.000 _cell_length_a 7.2640 _cell_length_b 22.9600 _cell_length_c 10.2704 _exptl_crystal_F_000 984.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file fl6183Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' ab5101p in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 281.61 _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 21263.31 22760.66 132.06 o 4 0 0 67858.30 68380.51 632.09 o 6 0 0 364.68 407.69 48.65 o 1 1 0 9479.56 9990.21 104.44 o 2 1 0 14354.07 14369.00 91.88 o 3 1 0 7813.67 7975.26 91.78 o 4 1 0 15633.76 16847.29 114.51 o 5 1 0 47.44 61.69 14.40 o 6 1 0 792.94 759.74 40.75 o 7 1 0 538.26 600.81 46.59 o 0 2 0 7257.21 7831.54 64.92 o 1 2 0 32400.62 32431.12 167.82 o 2 2 0 8658.09 9528.08 63.42 o 3 2 0 2486.95 2445.48 37.69 o 4 2 0 19717.77 20255.20 193.50 o 5 2 0 16774.38 17408.16 148.60 o 6 2 0 88.24 141.47 27.77 o 7 2 0 5.06 27.74 17.23 o 1 3 0 16197.99 16958.34 362.98 o 2 3 0 1401.32 1559.57 29.72 o 3 3 0 6692.34 6869.54 62.03 o 4 3 0 2447.53 2399.20 44.60 o 5 3 0 1020.98 980.69 39.21 o 6 3 0 205.94 206.51 24.43 o 7 3 0 1103.82 1228.01 64.22 o 0 4 0 7843.63 9237.38 89.07 o 1 4 0 14393.25 15139.72 463.27 o 2 4 0 2687.32 2819.49 47.45 o 3 4 0 1288.92 1309.24 49.28 o 4 4 0 8824.72 9202.38 171.57 o 5 4 0 6059.38 6016.35 90.79 o 6 4 0 8.09 27.55 14.58 o 7 4 0 32.97 83.20 23.23 o 1 5 0 1523.94 1478.69 31.64 o 2 5 0 15104.93 16425.11 141.62 o 3 5 0 1338.56 1406.58 29.83 o 4 5 0 2148.08 2065.57 49.01 o 5 5 0 2.27 3.33 13.26 o 6 5 0 31.42 49.64 15.39 o 7 5 0 46.61 101.86 40.34 o 8 5 0 1986.71 2153.22 112.46 o 0 6 0 39746.83 39671.09 229.71 o 1 6 0 229.98 280.89 19.41 o 2 6 0 4.70 7.67 14.65 o 3 6 0 121.85 106.59 19.97 o 4 6 0 10537.85 10356.01 129.46 o 5 6 0 160.47 160.72 21.34 o 6 6 0 18.70 48.52 16.24 o 7 6 0 6.41 52.35 19.33 o 8 6 0 1429.00 1601.33 102.35 o 1 7 0 5173.82 5544.81 83.51 o 2 7 0 794.17 711.60 43.47 o 3 7 0 4847.16 4840.08 93.84 o 4 7 0 1873.36 1773.93 54.19 o 5 7 0 4.88 2.75 13.07 o 6 7 0 194.45 228.16 26.03 o 7 7 0 217.98 285.96 35.17 o 8 7 0 895.13 1063.64 90.53 o 0 8 0 5215.59 5951.38 99.70 o 1 8 0 20086.91 20438.14 552.18 o 2 8 0 28.67 27.13 10.19 o 3 8 0 1560.87 1331.21 66.38 o 4 8 0 3227.12 3105.21 86.66 o 5 8 0 7235.98 7356.16 122.74 o 6 8 0 424.95 492.69 40.74 o 7 8 0 106.87 172.21 27.63 o 8 8 0 266.62 411.05 58.60 o 1 9 0 8914.61 8872.88 101.01 o 2 9 0 1112.16 1121.81 67.92 o 3 9 0 11147.92 10865.65 328.12 o 4 9 0 330.93 334.50 48.66 o 5 9 0 1097.03 1052.06 60.01 o 6 9 0 332.57 341.26 37.45 o 7 9 0 3950.53 4114.15 109.72 o 8 9 0 156.07 310.91 51.05 o 0 10 0 26759.89 27137.95 236.22 o 1 10 0 5508.11 5307.67 84.28 o 2 10 0 178.92 140.69 21.58 o 3 10 0 5078.08 5208.55 134.98 o 4 10 0 9886.29 9893.58 202.21 o 5 10 0 5967.10 5862.96 168.03 o 6 10 0 704.43 728.93 47.58 o 7 10 0 0.02 23.59 21.25 o 8 10 0 498.65 679.88 112.37 o 1 11 0 2071.65 2182.68 57.87 o 2 11 0 26677.79 27587.03 187.29 o 3 11 0 1839.13 1888.81 87.33 o 4 11 0 2699.81 2622.84 110.01 o 5 11 0 233.14 218.03 49.11 o 6 11 0 3628.39 3730.29 116.41 o 7 11 0 262.41 385.30 118.97 o 0 12 0 16940.51 17769.36 209.33 o 1 12 0 56.17 45.87 16.21 o 2 12 0 1580.06 1668.02 50.10 o 3 12 0 416.91 533.46 56.49 o 4 12 0 5542.01 5456.32 158.04 o 5 12 0 662.54 593.25 67.04 o 6 12 0 1589.79 1665.41 104.87 o 7 12 0 5.45 59.90 26.29 o 1 13 0 1259.67 1298.37 49.54 o 2 13 0 5297.47 5476.17 92.81 o 3 13 0 3327.14 3176.10 116.22 o 4 13 0 59.25 69.20 34.67 o 5 13 0 0.37 -10.44 24.90 o 6 13 0 991.65 907.24 88.39 o 7 13 0 1263.93 1293.76 76.16 o 0 14 0 17.31 17.47 19.36 o 1 14 0 3290.98 3373.89 69.80 o 2 14 0 23.87 47.19 27.85 o 3 14 0 804.12 723.10 63.63 o 4 14 0 272.85 350.13 54.71 o 5 14 0 813.32 845.01 80.47 o 6 14 0 35.28 65.44 34.34 o 7 14 0 10.14 84.17 35.63 o 1 15 0 687.00 646.02 34.81 o 2 15 0 444.56 425.03 51.08 o 3 15 0 2232.56 1994.72 97.54 o 4 15 0 15.93 39.84 31.97 o 5 15 0 97.87 79.34 40.01 o 6 15 0 96.11 136.88 51.05 o 7 15 0 1296.31 1366.54 78.10 o 0 16 0 305.00 288.12 41.11 o 1 16 0 177.23 210.28 25.49 o 2 16 0 240.96 224.64 43.00 o 3 16 0 80.73 79.59 36.09 o 4 16 0 4.36 41.37 30.73 o 5 16 0 174.31 167.40 48.99 o 6 16 0 687.73 764.48 84.16 o 1 17 0 175.32 168.18 24.64 o 2 17 0 10541.31 10513.84 215.49 o 3 17 0 224.67 198.71 47.53 o 4 17 0 6.54 44.49 33.49 o 5 17 0 23.18 24.12 32.68 o 6 17 0 1839.21 1874.34 118.86 o 0 18 0 535.52 493.51 52.93 o 1 18 0 955.56 972.58 63.21 o 2 18 0 294.30 379.59 42.81 o 3 18 0 334.15 285.29 53.89 o 4 18 0 752.61 719.52 76.54 o 5 18 0 142.77 184.68 51.18 o 6 18 0 1092.02 1168.12 95.99 o 1 19 0 1611.27 1767.71 73.64 o 2 19 0 3663.37 3611.56 135.32 o 3 19 0 3977.15 3792.80 144.84 o 4 19 0 0.48 1.02 24.89 o 5 19 0 37.62 71.99 39.90 o 6 19 0 1280.52 1145.53 168.39 o 0 20 0 2.12 -16.44 21.58 o 1 20 0 3392.83 3445.69 102.00 o 2 20 0 4.20 1.35 20.34 o 3 20 0 1649.75 1490.00 95.67 o 4 20 0 7.21 31.88 38.63 o 5 20 0 1891.70 1916.56 120.06 o 1 21 0 1736.71 1727.79 75.32 o 2 21 0 2968.43 2897.04 111.51 o 3 21 0 2633.22 2627.70 113.23 o 4 21 0 19.51 26.76 28.95 o 5 21 0 396.88 381.52 66.06 o 0 22 0 78.79 34.60 39.40 o 1 22 0 101.92 142.27 31.33 o 2 22 0 257.80 304.43 42.42 o 3 22 0 76.82 111.91 30.81 o 4 22 0 121.88 176.67 49.73 o 5 22 0 39.83 72.13 36.70 o 1 23 0 17.49 46.25 22.27 o 2 23 0 3974.08 4022.89 121.56 o 3 23 0 0.08 3.72 26.51 o 4 23 0 10.70 36.04 32.05 o 0 24 0 8.55 13.19 26.89 o 1 24 0 78.07 129.79 29.93 o 2 24 0 100.05 123.60 30.33 o 3 24 0 91.29 134.03 40.22 o 4 24 0 15.45 41.64 34.03 o 1 25 0 122.79 166.73 46.08 o 2 25 0 447.40 535.66 53.49 o 3 25 0 300.28 353.62 72.63 o 0 26 0 23.48 96.95 43.17 o 1 26 0 311.08 383.84 58.84 o 2 26 0 1.43 51.79 29.97 o 1 27 0 363.98 425.20 61.59 o -7 0 1 2214.79 2255.30 153.65 o -5 0 1 788.05 758.95 42.82 o -3 0 1 17595.15 17846.57 381.48 o -1 0 1 23748.89 25531.20 443.66 o 1 0 1 8967.38 9611.49 66.98 o 3 0 1 18072.28 18580.17 147.20 o 5 0 1 1296.50 1329.05 55.54 o 7 0 1 4728.48 4728.15 218.23 o -8 1 1 606.12 900.30 82.80 o -7 1 1 100.25 172.57 40.19 o -6 1 1 1286.34 1151.57 49.42 o -5 1 1 11488.84 11418.32 105.00 o -4 1 1 25759.12 26911.89 207.84 o -3 1 1 3606.75 3760.01 46.17 o -2 1 1 4428.20 4661.84 78.75 o -1 1 1 15557.53 16843.41 211.07 o 0 1 1 8413.54 9176.89 53.34 o 1 1 1 17309.48 17645.42 118.19 o 2 1 1 8604.62 9309.86 80.55 o 3 1 1 3273.40 3424.31 45.15 o 4 1 1 10203.64 10478.73 90.96 o 5 1 1 10256.12 10460.44 124.19 o 6 1 1 2.11 24.79 18.24 o 7 1 1 43.57 45.65 25.40 o 8 1 1 717.58 744.97 91.47 o -8 2 1 2984.39 3443.38 161.62 o -7 2 1 243.91 269.63 47.83 o -6 2 1 1446.17 1345.79 47.10 o -5 2 1 725.03 694.06 32.66 o -4 2 1 2194.99 2137.00 51.80 o -3 2 1 267.76 260.46 15.14 o -2 2 1 171.77 253.40 62.37 o -1 2 1 1326.81 1598.61 24.13 o 0 2 1 0.55 27.61 28.35 o 1 2 1 3610.82 3527.11 39.25 o 2 2 1 2122.72 2100.17 29.77 o 3 2 1 3249.45 3444.20 45.32 o 4 2 1 2176.81 2150.37 42.47 o 5 2 1 231.07 245.54 21.08 o 6 2 1 3020.90 3037.01 70.43 o 7 2 1 440.16 484.44 58.84 o 8 2 1 1788.00 1761.28 147.83 o -8 3 1 2111.21 2441.28 143.80 o -7 3 1 506.43 574.01 51.19 o -6 3 1 82.87 80.18 22.42 o -5 3 1 125.28 134.68 19.60 o -4 3 1 10179.73 10221.62 182.94 o -3 3 1 1962.63 1918.36 32.60 o -2 3 1 2305.03 2468.12 37.61 o -1 3 1 733.44 708.10 28.48 o 0 3 1 67881.29 62537.11 2247.94 o 1 3 1 169.54 118.95 10.62 o 2 3 1 465.91 501.12 17.80 o 3 3 1 296.68 328.21 16.47 o 4 3 1 15556.95 16074.35 172.08 o 5 3 1 98.25 104.45 18.45 o 6 3 1 490.61 556.46 35.51 o 7 3 1 177.06 193.94 42.57 o 8 3 1 1209.68 1273.60 126.93 o -8 4 1 838.88 1083.32 82.55 o -7 4 1 234.33 302.44 40.15 o -6 4 1 50.16 75.83 21.57 o -5 4 1 475.82 493.99 30.28 o -4 4 1 7407.60 7523.01 73.00 o -3 4 1 2113.87 2216.72 35.79 o -2 4 1 19.11 15.64 11.12 o -1 4 1 646.53 663.13 18.48 o 0 4 1 2210.47 2339.44 37.24 o 1 4 1 4630.97 4712.09 57.05 o 2 4 1 171.47 222.14 13.34 o 3 4 1 1157.63 1138.91 29.78 o 4 4 1 938.28 984.73 29.70 o 5 4 1 0.27 -4.67 11.99 o 6 4 1 6.80 21.89 14.14 o 7 4 1 542.49 596.09 64.73 o 8 4 1 578.33 607.08 100.55 o -8 5 1 68.55 143.29 35.30 o -7 5 1 10.96 36.29 19.65 o -6 5 1 1.90 4.03 15.14 o -5 5 1 5301.14 5222.34 84.05 o -4 5 1 1138.72 1027.85 40.52 o -3 5 1 1070.05 1012.00 34.30 o -2 5 1 9686.51 10551.66 119.85 o -1 5 1 4648.54 4843.45 107.92 o 0 5 1 3055.50 3203.93 106.98 o 1 5 1 2654.42 2496.23 56.27 o 2 5 1 10781.45 10905.48 273.22 o 3 5 1 2485.81 2492.12 42.69 o 4 5 1 3222.56 3244.93 51.09 o 5 5 1 3018.08 2989.00 65.77 o 6 5 1 1062.93 1060.39 44.29 o 7 5 1 195.93 260.80 45.41 o 8 5 1 586.08 728.87 112.03 o -8 6 1 104.48 196.87 41.93 o -7 6 1 1749.86 1810.00 69.36 o -6 6 1 487.32 504.60 41.43 o -5 6 1 595.92 587.18 33.68 o -4 6 1 2583.30 2541.97 60.58 o -3 6 1 4004.55 4020.15 134.16 o -2 6 1 857.87 852.62 36.50 o -1 6 1 6738.60 6755.31 72.08 o 0 6 1 23029.19 24215.50 141.39 o 1 6 1 2165.41 2212.03 112.46 o 2 6 1 563.11 572.67 24.25 o 3 6 1 4954.63 4904.63 63.86 o 4 6 1 6409.15 6460.61 99.66 o 5 6 1 479.05 491.04 31.96 o 6 6 1 1032.02 1086.35 45.41 o 7 6 1 1769.64 1810.47 68.76 o 8 6 1 410.78 505.67 96.44 o -8 7 1 814.24 1185.56 85.39 o -7 7 1 7.28 36.56 18.07 o -6 7 1 1152.60 1075.43 52.62 o -5 7 1 6236.04 6282.02 95.46 o -4 7 1 12038.95 12442.78 167.19 o -3 7 1 1156.13 1139.50 48.91 o -2 7 1 2189.74 2077.85 70.35 o -1 7 1 10487.30 10809.89 125.56 o 0 7 1 15836.84 16301.73 295.40 o 1 7 1 4410.25 4574.33 67.94 o 2 7 1 1462.47 1368.16 37.11 o 3 7 1 1570.67 1520.32 68.65 o 4 7 1 1075.51 1058.98 44.13 o 5 7 1 4159.41 4016.63 133.73 o 6 7 1 13.81 51.07 15.55 o 7 7 1 187.77 286.28 39.76 o 8 7 1 23.75 90.10 50.36 o -8 8 1 1324.63 1495.84 97.20 o -7 8 1 158.94 216.49 32.21 o -6 8 1 2143.34 2075.29 72.24 o -5 8 1 1840.29 1702.71 61.59 o -4 8 1 1164.94 1185.82 63.09 o -3 8 1 1647.27 1600.80 58.80 o -2 8 1 17068.87 18092.69 298.74 o -1 8 1 18.19 59.20 10.90 o 0 8 1 2327.32 2301.37 50.77 o 1 8 1 2969.90 3095.56 120.17 o 2 8 1 21098.53 20893.90 431.58 o 3 8 1 3069.95 3258.39 104.92 o 4 8 1 6988.48 6728.97 220.97 o 5 8 1 633.22 569.96 35.48 o 6 8 1 3059.82 3187.79 141.33 o 7 8 1 285.56 375.84 45.77 o 8 8 1 1712.11 1721.20 157.08 o -8 9 1 1081.46 1325.71 91.91 o -7 9 1 203.71 238.21 34.60 o -6 9 1 1023.44 1016.13 53.14 o -5 9 1 510.27 488.26 47.09 o -4 9 1 13672.29 11982.91 671.51 o -3 9 1 135.90 119.83 29.65 o -2 9 1 638.06 663.84 60.38 o -1 9 1 13.70 29.42 10.19 o 0 9 1 61579.76 59508.70 285.81 o 1 9 1 167.19 157.47 19.25 o 2 9 1 2331.21 2382.08 79.74 o 3 9 1 2371.87 2508.97 81.97 o 4 9 1 23781.62 23971.46 304.33 o 5 9 1 1274.16 1272.05 82.89 o 6 9 1 2875.69 3094.47 123.59 o 7 9 1 320.69 371.83 62.86 o 8 9 1 1696.30 2028.67 172.33 o -8 10 1 1026.18 1288.10 74.46 o -7 10 1 1116.79 1242.81 62.22 o -6 10 1 4451.06 4413.84 157.91 o -5 10 1 623.28 620.71 52.20 o -4 10 1 5609.26 5590.73 150.63 o -3 10 1 7441.54 7551.13 160.78 o -2 10 1 19189.74 20060.40 762.87 o -1 10 1 4188.98 4217.08 64.66 o 0 10 1 6711.65 7135.45 119.48 o 1 10 1 10142.91 10904.62 306.62 o 2 10 1 10506.93 10758.03 118.42 o 3 10 1 10504.49 11169.25 197.17 o 4 10 1 109.67 116.20 36.24 o 5 10 1 1.58 9.50 29.17 o 6 10 1 789.91 848.31 76.74 o 7 10 1 2856.17 2935.75 139.90 o -7 11 1 1.05 27.73 21.32 o -6 11 1 382.51 401.00 40.67 o -5 11 1 5864.20 5846.82 281.70 o -4 11 1 26.10 34.41 29.81 o -3 11 1 1026.40 930.00 63.64 o -2 11 1 12613.59 12852.22 215.49 o -1 11 1 23798.30 25222.61 339.34 o 0 11 1 872.34 857.01 33.36 o 1 11 1 16549.52 17775.24 434.67 o 2 11 1 16003.70 16584.69 153.25 o 3 11 1 3965.35 3747.11 226.11 o 4 11 1 2391.19 2095.60 98.15 o 5 11 1 5691.75 5808.48 174.54 o 6 11 1 1773.20 1851.65 85.65 o 7 11 1 191.27 252.02 55.21 o -7 12 1 2314.25 2411.40 101.09 o -6 12 1 115.39 125.67 32.87 o -5 12 1 335.83 301.61 53.08 o -4 12 1 227.62 247.41 46.16 o -3 12 1 8144.30 7255.94 479.20 o -2 12 1 300.03 317.93 25.69 o -1 12 1 11164.34 11995.14 128.66 o 0 12 1 2425.92 2320.95 54.81 o 1 12 1 2701.64 2645.54 95.50 o 2 12 1 4818.25 4909.07 86.85 o 3 12 1 8934.70 8933.08 252.58 o 4 12 1 2088.87 2018.89 98.92 o 5 12 1 413.85 432.77 60.55 o 6 12 1 2467.13 2552.86 164.45 o 7 12 1 1944.50 2109.72 123.42 o -7 13 1 252.26 293.44 44.51 o -6 13 1 2342.37 2335.01 121.80 o -5 13 1 1589.42 1513.60 93.32 o -4 13 1 2124.80 1990.21 99.64 o -3 13 1 3745.37 3677.86 123.53 o -2 13 1 5049.14 4650.99 156.31 o -1 13 1 982.86 953.63 37.87 o 0 13 1 1866.39 1867.47 51.60 o 1 13 1 2054.03 1968.93 87.96 o 2 13 1 2390.08 2476.49 65.97 o 3 13 1 168.19 131.71 37.50 o 4 13 1 634.70 637.23 67.33 o 5 13 1 907.79 856.31 75.81 o 6 13 1 1.30 4.65 26.29 o 7 13 1 115.88 162.03 46.03 o -7 14 1 120.52 187.08 36.06 o -6 14 1 1413.03 1284.89 108.00 o -5 14 1 0.47 -8.92 27.38 o -4 14 1 6.70 8.60 29.63 o -3 14 1 21.85 20.58 26.65 o -2 14 1 4326.15 3701.27 350.99 o -1 14 1 4.26 0.01 11.43 o 0 14 1 52.57 54.98 15.45 o 1 14 1 282.82 326.15 31.37 o 2 14 1 4124.30 3608.33 439.89 o 3 14 1 498.46 479.82 56.36 o 4 14 1 399.83 355.08 59.53 o 5 14 1 278.18 243.12 50.50 o 6 14 1 779.04 849.16 86.72 o 7 14 1 53.64 95.71 41.16 o -7 15 1 47.13 75.27 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