#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/60/2016066.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_2016066_Fobs loop_ _publ_author_name 'Rademeyer, M.' 'Lemmerer, A.' 'Billing, David G.' _publ_section_title ; Bis(4-aminopyridinium) hexachloridostannate(IV) and bis(p-toluidinium) hexachloridostannate(IV) ; _journal_coeditor_code SK3125 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m289 _journal_page_last m292 _journal_volume 63 _journal_year 2007 _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 90.239 _cell_angle_gamma 90.000 _cell_length_a 7.1166 _cell_length_b 25.3041 _cell_length_c 11.6862 _exptl_crystal_F_000 1080.00 _reflns_d_resolution_high 0.7570 _[local]_cod_data_source_file sk3125IIsup3.hkl _[local]_cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' 5am6_a in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 284.49 _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 2 0 0 72031.08 61809.13 630.09 o 3 0 0 6681.85 6417.24 148.15 o 4 0 0 61524.49 57333.21 392.46 o 5 0 0 10938.42 10309.49 483.33 o 6 0 0 1569.13 1565.29 93.73 o 7 0 0 3549.51 3580.14 89.70 o 8 0 0 910.94 944.94 206.24 o 9 0 0 2097.59 2031.94 243.72 o 1 1 0 2456.76 2366.94 33.44 o 2 1 0 8885.67 8662.16 162.22 o 3 1 0 1037.75 995.64 25.47 o 4 1 0 4837.59 4928.92 96.08 o 5 1 0 375.20 394.81 23.26 o 6 1 0 23.55 23.23 24.07 o 7 1 0 156.96 190.19 32.75 o 8 1 0 125.55 144.51 32.86 o 9 1 0 2.04 23.38 37.59 o 1 2 0 1825.82 1890.89 27.87 o 2 2 0 219.34 159.48 8.16 o 3 2 0 5940.48 5522.85 74.00 o 4 2 0 42906.99 41377.83 389.34 o 5 2 0 7401.70 7384.52 150.02 o 6 2 0 1194.76 1198.25 39.65 o 7 2 0 2901.23 2900.55 90.39 o 8 2 0 816.67 851.28 48.19 o 9 2 0 1553.18 1634.41 64.11 o 1 3 0 20532.60 20772.73 618.14 o 2 3 0 8782.51 8598.40 66.37 o 3 3 0 8094.35 7763.30 127.64 o 4 3 0 4498.54 4243.17 40.36 o 5 3 0 1816.64 1841.58 30.93 o 6 3 0 54.14 65.56 21.18 o 7 3 0 951.66 1046.32 53.66 o 8 3 0 1567.38 1553.75 106.95 o 9 3 0 1.50 -10.03 38.55 o 0 4 0 31078.66 28735.33 261.54 o 1 4 0 628.98 640.29 27.43 o 2 4 0 660.19 600.78 18.63 o 3 4 0 3481.68 3319.21 46.91 o 4 4 0 5765.84 5238.84 50.81 o 5 4 0 2491.57 2482.81 47.86 o 6 4 0 410.08 442.66 29.39 o 7 4 0 2058.33 2000.69 61.28 o 8 4 0 447.61 463.85 47.84 o 9 4 0 649.56 715.78 49.59 o 1 5 0 11409.07 10783.08 106.79 o 2 5 0 364.10 356.43 16.67 o 3 5 0 8971.75 8925.19 101.50 o 4 5 0 5174.89 5336.52 96.47 o 5 5 0 1416.88 1479.04 51.34 o 6 5 0 855.31 868.55 33.67 o 7 5 0 908.73 920.80 52.03 o 8 5 0 1157.57 1094.74 100.24 o 9 5 0 1.91 -10.57 38.07 o 0 6 0 38.57 28.75 13.79 o 1 6 0 0.15 3.07 10.73 o 2 6 0 1156.65 1189.39 19.61 o 3 6 0 1342.64 1373.06 27.90 o 4 6 0 754.96 706.39 30.34 o 5 6 0 138.43 181.96 17.74 o 6 6 0 653.52 623.20 31.30 o 7 6 0 687.98 705.42 57.74 o 8 6 0 549.88 518.81 58.26 o 9 6 0 107.19 133.64 48.72 o 1 7 0 3737.70 3559.65 65.42 o 2 7 0 2795.28 2758.44 49.70 o 3 7 0 6586.08 6405.18 136.05 o 4 7 0 31.53 24.83 13.00 o 5 7 0 625.09 583.62 26.04 o 6 7 0 2354.92 2393.87 74.38 o 7 7 0 518.70 521.35 40.79 o 8 7 0 352.17 339.54 51.40 o 9 7 0 1.41 -2.29 46.82 o 0 8 0 3201.54 3492.76 57.65 o 1 8 0 419.40 469.92 19.86 o 2 8 0 72.84 87.22 12.94 o 3 8 0 365.86 374.29 21.46 o 4 8 0 31.41 22.58 13.54 o 5 8 0 51.53 56.73 16.68 o 6 8 0 382.04 433.40 26.10 o 7 8 0 10.83 26.08 30.22 o 8 8 0 101.13 101.37 50.10 o 9 8 0 0.08 7.17 48.57 o 1 9 0 3340.15 3093.73 54.60 o 2 9 0 4597.26 4347.17 105.82 o 3 9 0 4812.59 4934.78 104.13 o 4 9 0 112.15 82.65 15.05 o 5 9 0 393.27 393.79 22.30 o 6 9 0 6483.83 6244.50 173.53 o 7 9 0 348.96 404.34 39.22 o 8 9 0 266.14 259.56 43.87 o 9 9 0 0.55 20.62 49.51 o 0 10 0 1.54 32.42 18.34 o 1 10 0 971.87 1093.10 24.73 o 2 10 0 3795.33 3952.36 92.05 o 3 10 0 2.60 16.32 15.29 o 4 10 0 30.84 44.75 14.80 o 5 10 0 251.51 280.84 21.15 o 6 10 0 8.46 19.18 21.01 o 7 10 0 126.17 156.27 29.64 o 8 10 0 9.67 -17.88 39.66 o 1 11 0 12861.43 14129.57 563.00 o 2 11 0 3452.45 3550.22 112.29 o 3 11 0 6183.97 6499.10 191.84 o 4 11 0 6.24 1.45 16.93 o 5 11 0 1234.77 1242.55 46.71 o 6 11 0 4350.45 4363.33 114.73 o 7 11 0 502.77 583.26 33.29 o 8 11 0 259.85 287.32 46.86 o 0 12 0 2037.59 2336.08 43.09 o 1 12 0 2285.44 2620.46 78.49 o 2 12 0 12454.24 12808.27 396.04 o 3 12 0 1235.00 1273.82 66.10 o 4 12 0 842.03 935.88 35.71 o 5 12 0 1879.20 1968.82 60.18 o 6 12 0 109.06 123.93 23.53 o 7 12 0 731.83 752.95 39.34 o 8 12 0 215.75 246.09 45.83 o 1 13 0 3990.12 3889.57 79.80 o 2 13 0 69.00 96.51 14.68 o 3 13 0 3934.69 3977.73 170.42 o 4 13 0 1036.51 1043.77 43.35 o 5 13 0 2219.97 2351.68 61.67 o 6 13 0 1475.64 1555.45 49.05 o 7 13 0 988.90 1099.18 45.88 o 8 13 0 246.16 319.53 61.08 o 0 14 0 3847.54 3869.97 260.74 o 1 14 0 346.35 360.02 16.98 o 2 14 0 8161.74 8205.29 193.60 o 3 14 0 587.83 675.69 57.09 o 4 14 0 4199.71 4274.31 107.26 o 5 14 0 3941.81 4103.32 73.00 o 6 14 0 252.41 262.21 31.13 o 7 14 0 1402.26 1434.31 65.22 o 8 14 0 195.95 77.89 92.27 o 1 15 0 1813.76 2076.49 49.52 o 2 15 0 35.84 65.18 18.42 o 3 15 0 398.66 435.85 44.80 o 4 15 0 1375.50 1491.91 82.10 o 5 15 0 25.57 94.54 25.32 o 6 15 0 3.03 -19.44 32.07 o 7 15 0 106.19 177.22 48.34 o 8 15 0 112.79 175.58 91.39 o 0 16 0 39873.60 39627.67 2866.48 o 1 16 0 1634.34 1866.55 34.14 o 2 16 0 7616.49 7704.07 267.03 o 3 16 0 3638.62 3660.66 209.23 o 4 16 0 7754.62 7608.23 589.53 o 5 16 0 7381.81 7592.32 240.92 o 6 16 0 518.86 545.92 52.13 o 7 16 0 1164.45 1243.10 66.85 o 8 16 0 282.07 398.40 105.03 o 1 17 0 119.26 182.04 24.28 o 2 17 0 659.86 728.54 45.83 o 3 17 0 74.51 69.13 30.28 o 4 17 0 21.56 63.61 34.69 o 5 17 0 0.07 61.52 36.92 o 6 17 0 34.89 4.49 34.06 o 7 17 0 123.54 106.94 42.43 o 8 17 0 12.97 25.68 60.69 o 0 18 0 39053.29 39387.97 1699.36 o 1 18 0 449.20 526.11 26.15 o 2 18 0 3127.11 3359.89 249.51 o 3 18 0 337.51 377.63 39.82 o 4 18 0 13820.46 13783.39 849.54 o 5 18 0 2504.27 2716.44 98.57 o 6 18 0 906.58 930.29 103.56 o 7 18 0 443.66 489.60 60.48 o 1 19 0 1033.55 1311.54 73.54 o 2 19 0 7.96 7.94 35.42 o 3 19 0 71.89 102.24 33.97 o 4 19 0 476.90 650.99 56.13 o 5 19 0 448.26 580.61 97.55 o 6 19 0 134.80 112.02 45.05 o 7 19 0 55.82 54.26 52.14 o 0 20 0 18884.54 20063.07 238.22 o 1 20 0 554.52 763.47 42.90 o 2 20 0 218.85 225.79 44.23 o 3 20 0 476.47 546.06 55.59 o 4 20 0 5659.67 5380.29 569.29 o 5 20 0 1915.76 1969.53 124.90 o 6 20 0 20.01 -32.77 44.69 o 7 20 0 606.17 565.78 66.26 o 1 21 0 2925.53 3070.61 118.14 o 2 21 0 0.51 -6.98 30.76 o 3 21 0 1510.85 1507.26 73.05 o 4 21 0 1991.77 2069.67 210.06 o 5 21 0 725.74 861.48 128.42 o 6 21 0 91.35 108.21 60.58 o 7 21 0 67.93 32.72 56.04 o 0 22 0 3145.76 3134.65 162.24 o 1 22 0 327.59 459.51 85.00 o 2 22 0 58.65 24.14 44.45 o 3 22 0 138.56 132.24 39.12 o 4 22 0 1220.29 1301.61 136.49 o 5 22 0 206.17 205.07 47.85 o 6 22 0 123.18 126.89 53.81 o 7 22 0 270.91 173.21 61.19 o 1 23 0 779.54 868.21 57.00 o 2 23 0 43.68 16.87 34.97 o 3 23 0 852.41 817.63 62.13 o 4 23 0 1179.80 1209.08 98.87 o 5 23 0 200.15 220.79 50.63 o 6 23 0 77.11 89.69 58.38 o 0 24 0 13.54 82.62 36.13 o 1 24 0 4.99 34.08 35.61 o 2 24 0 123.37 84.93 37.06 o 3 24 0 21.58 -22.40 38.58 o 4 24 0 177.68 191.15 45.75 o 5 24 0 0.19 -42.65 47.91 o 6 24 0 190.76 154.41 58.16 o 1 25 0 1189.12 1235.20 100.70 o 2 25 0 97.25 59.28 40.83 o 3 25 0 1565.47 1416.59 72.67 o 4 25 0 242.38 188.89 48.12 o 5 25 0 111.29 70.99 51.95 o 6 25 0 328.42 405.56 70.70 o 0 26 0 5.31 20.95 39.13 o 1 26 0 142.90 205.98 34.65 o 2 26 0 165.87 189.38 43.72 o 3 26 0 9.44 38.01 43.46 o 4 26 0 3.19 -31.00 45.01 o 5 26 0 149.96 122.64 53.77 o 1 27 0 908.27 901.54 53.34 o 2 27 0 308.45 421.06 50.80 o 3 27 0 1020.26 1069.97 125.27 o 4 27 0 42.45 48.38 48.73 o 5 27 0 116.21 135.35 55.49 o 0 28 0 63.42 75.25 59.55 o 1 28 0 317.84 463.03 42.96 o 2 28 0 669.73 750.46 60.03 o 3 28 0 5.87 41.25 46.93 o 4 28 0 11.71 -30.67 49.10 o 5 28 0 152.26 193.08 60.87 o 1 29 0 1257.25 1149.00 64.10 o 2 29 0 185.32 224.10 41.42 o 3 29 0 1076.87 971.17 75.76 o 4 29 0 25.74 20.38 53.27 o 0 30 0 346.56 375.66 75.84 o 1 30 0 230.93 291.61 42.66 o 2 30 0 1555.35 1667.17 70.48 o 3 30 0 4.02 7.51 51.03 o 4 30 0 146.83 173.60 61.39 o 1 31 0 1018.11 1028.55 62.76 o 2 31 0 47.67 88.16 75.10 o 3 31 0 423.72 359.84 61.57 o 0 32 0 1354.86 1404.67 119.55 o 1 32 0 293.96 315.28 48.69 o 2 32 0 2028.46 2115.69 270.49 o 1 33 0 0.40 52.70 55.84 o -9 1 1 24.62 17.58 37.08 o -8 1 1 1767.77 1681.62 58.25 o -7 1 1 480.27 455.04 37.31 o -6 1 1 2609.09 2510.27 58.97 o -5 1 1 5135.46 4874.95 53.96 o -4 1 1 9777.07 9170.48 173.51 o -3 1 1 9204.56 8646.44 96.42 o -2 1 1 608.15 592.59 13.48 o -1 1 1 25560.70 24704.97 179.84 o 0 1 1 675.12 560.65 132.69 o 1 1 1 30920.52 28029.24 140.70 o 2 1 1 635.59 619.73 17.30 o 3 1 1 20156.28 18772.36 192.20 o 4 1 1 31758.15 29695.89 294.52 o 5 1 1 7861.64 7747.85 107.07 o 6 1 1 644.30 660.06 34.05 o 7 1 1 617.35 608.45 51.31 o 8 1 1 7525.89 7456.47 121.49 o 9 1 1 42.41 42.20 39.24 o -9 2 1 129.11 82.97 38.03 o -8 2 1 44.44 32.55 29.89 o -7 2 1 227.73 213.38 29.08 o -6 2 1 2728.03 2652.39 60.86 o -5 2 1 624.41 681.12 31.56 o -4 2 1 19.77 17.77 10.47 o -3 2 1 98.88 104.57 9.68 o -2 2 1 26.77 46.01 6.16 o -1 2 1 2708.99 2616.30 43.13 o 0 2 1 7430.83 7765.87 78.70 o 1 2 1 4177.82 3582.45 34.36 o 2 2 1 1105.73 1125.70 19.85 o 3 2 1 338.25 298.93 16.15 o 4 2 1 2006.60 1931.09 28.92 o 5 2 1 1143.66 1125.20 29.51 o 6 2 1 1.80 3.87 17.67 o 7 2 1 475.95 477.52 38.67 o 8 2 1 61.56 155.38 46.09 o 9 2 1 180.00 177.85 41.73 o -9 3 1 91.43 28.16 38.05 o -8 3 1 1543.93 1510.16 65.66 o -7 3 1 30.47 22.21 29.52 o -6 3 1 5430.04 5169.26 141.75 o -5 3 1 3184.21 3167.36 118.11 o -4 3 1 5510.19 5414.62 154.37 o -3 3 1 14530.61 13566.31 200.15 o -2 3 1 18145.31 17513.83 176.85 o -1 3 1 57516.25 55323.76 358.65 o 0 3 1 131.19 131.51 9.02 o 1 3 1 44526.92 42053.94 651.08 o 2 3 1 8344.59 8295.79 103.50 o 3 3 1 12211.06 11401.20 75.83 o 4 3 1 4548.71 4327.95 65.89 o 5 3 1 4864.77 4979.58 63.57 o 6 3 1 301.78 302.08 25.82 o 7 3 1 629.83 729.75 45.51 o 8 3 1 2877.49 2972.81 80.74 o 9 3 1 71.48 82.66 39.62 o -9 4 1 354.11 366.26 43.17 o -8 4 1 53.61 18.43 30.40 o -7 4 1 657.85 579.93 70.76 o -6 4 1 7458.89 7254.82 89.62 o -5 4 1 2027.39 2026.43 57.66 o -4 4 1 4009.36 3944.50 110.88 o -3 4 1 354.78 339.40 13.93 o -2 4 1 27794.23 26524.51 589.87 o 0 4 1 28886.98 27698.98 365.24 o 1 4 1 10940.03 11754.13 1029.45 o 2 4 1 1468.78 1445.41 36.81 o 3 4 1 7896.81 7560.82 47.96 o 4 4 1 5282.31 5035.81 62.42 o 5 4 1 2385.07 2217.72 32.55 o 6 4 1 522.85 482.89 28.75 o 7 4 1 1627.18 1589.89 60.36 o 8 4 1 37.18 54.66 37.34 o 9 4 1 496.01 576.38 48.04 o -9 5 1 103.15 109.23 39.63 o -8 5 1 559.34 478.59 45.66 o -7 5 1 10.12 49.19 29.40 o -6 5 1 4705.07 4593.44 73.78 o -5 5 1 2316.47 2502.87 86.85 o -4 5 1 21.30 17.45 10.78 o -3 5 1 3039.01 3191.71 76.02 o -2 5 1 36287.86 34649.75 1037.66 o 0 5 1 336.58 405.99 14.97 o 1 5 1 15928.83 15324.50 135.25 o 2 5 1 2786.52 2791.15 60.28 o 3 5 1 9554.44 9290.09 181.64 o 4 5 1 605.57 600.47 21.44 o 5 5 1 2531.43 2483.74 36.45 o 6 5 1 743.76 754.91 37.55 o 7 5 1 193.57 211.02 34.09 o 8 5 1 371.29 417.25 44.68 o 9 5 1 64.54 46.80 47.04 o -9 6 1 880.12 923.45 79.46 o -8 6 1 7.74 -8.69 47.50 o -7 6 1 2016.27 1956.67 74.68 o -6 6 1 3674.74 3684.43 114.16 o -5 6 1 1541.39 1533.01 53.96 o -4 6 1 1011.96 1020.14 27.93 o -3 6 1 241.42 221.69 13.36 o -2 6 1 23493.50 23950.60 539.08 o -1 6 1 135.23 237.49 22.59 o 0 6 1 5256.30 5477.87 88.86 o 1 6 1 1397.21 1464.52 43.42 o 2 6 1 17621.33 16963.93 280.50 o 3 6 1 4525.94 4392.75 46.89 o 4 6 1 775.96 782.06 29.78 o 5 6 1 2576.90 2523.98 37.78 o 6 6 1 1333.23 1297.63 43.13 o 7 6 1 2808.37 2765.97 70.22 o 8 6 1 0.67 -38.01 38.01 o 9 6 1 432.75 515.85 55.48 o -9 7 1 12.27 99.44 40.72 o -8 7 1 82.56 104.28 38.59 o -7 7 1 163.86 189.87 33.99 o -6 7 1 2487.09 2589.92 62.24 o -5 7 1 59.93 75.97 16.83 o -4 7 1 608.80 609.74 25.87 o -3 7 1 32.88 45.74 11.38 o -2 7 1 15335.69 15460.94 533.66 o -1 7 1 409.85 432.43 36.52 o 0 7 1 2709.67 2988.20 53.91 o 1 7 1 1930.21 1934.06 50.46 o 2 7 1 2255.10 2287.18 36.03 o 3 7 1 429.66 458.74 18.94 o 4 7 1 5.59 1.66 12.14 o 5 7 1 685.51 688.49 24.24 o 6 7 1 377.06 444.29 34.47 o 7 7 1 26.88 33.96 27.36 o 8 7 1 0.18 1.46 37.99 o 9 7 1 53.74 65.15 48.86 o -9 8 1 1085.52 1240.44 74.94 o -8 8 1 23.72 1.33 38.41 o -7 8 1 2479.58 2463.65 114.57 o -6 8 1 2024.33 2001.51 66.78 o -5 8 1 1923.76 1959.75 51.15 o -4 8 1 1323.29 1273.78 39.12 o -3 8 1 3167.37 3226.65 53.51 o -2 8 1 33048.40 32682.70 1414.23 o -1 8 1 30.94 56.59 9.47 o 0 8 1 1383.64 1525.22 41.66 o 1 8 1 440.42 426.06 21.67 o 2 8 1 39743.25 36593.36 550.12 o 3 8 1 2444.72 2523.77 48.92 o 4 8 1 66.86 58.70 13.05 o 5 8 1 1361.11 1413.27 39.15 o 6 8 1 2362.75 2350.32 72.67 o 7 8 1 2970.98 2897.84 60.78 o 8 8 1 0.43 13.63 38.94 o 9 8 1 287.24 316.74 54.00 o -9 9 1 0.41 47.54 49.66 o -8 9 1 132.22 107.84 40.54 o -7 9 1 3.54 65.39 32.50 o -6 9 1 107.26 157.71 22.49 o -5 9 1 10.63 15.27 16.64 o -4 9 1 1611.80 1707.57 48.23 o -3 9 1 205.92 184.94 16.41 o -2 9 1 74.12 94.76 14.49 o -1 9 1 90.94 135.28 13.81 o 0 9 1 2688.52 3057.24 83.98 o 1 9 1 31.37 30.94 12.27 o 2 9 1 1.52 24.30 11.44 o 3 9 1 452.85 520.34 19.88 o 4 9 1 51.67 29.20 13.37 o 5 9 1 21.54 3.10 18.25 o 6 9 1 99.47 108.96 23.28 o 7 9 1 55.18 73.04 27.94 o 8 9 1 2.65 -36.65 39.00 o 9 9 1 14.58 -23.56 50.70 o -8 10 1 136.53 121.23 41.56 o -7 10 1 1549.71 1598.22 61.93 o -6 10 1 2240.04 2314.89 69.31 o -5 10 1 1674.48 1723.53 39.62 o -4 10 1 805.52 882.80 29.65 o -3 10 1 1528.86 1577.21 93.67 o -2 10 1 29280.07 29412.93 1026.74 o -1 10 1 22.69 87.10 13.86 o 0 10 1 2131.15 2449.72 35.72 o 1 10 1 135.83 91.32 14.13 o 2 10 1 33045.34 31424.89 445.11 o 3 10 1 3114.33 2987.81 49.75 o 4 10 1 562.86 543.17 23.30 o 5 10 1 1151.62 1079.91 53.48 o 6 10 1 2728.63 2667.01 100.85 o 7 10 1 1902.80 1953.56 132.41 o 8 10 1 2.45 0.59 40.30 o -8 11 1 499.07 518.57 51.09 o 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