#------------------------------------------------------------------------------ #$Date: 2016-04-02 20:33:34 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180763 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/00/84/2008467.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_2008467_Fobs loop_ _publ_author_name 'Minkwitz, R.' 'Hirsch, C.' _publ_section_title ; Tieftemperaturstruktur von diaquahydrogen(1+) hexachloroantimonat, H~5~O~2~^+^^.^SbCl~6~^{-^} ; _journal_issue 5 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 703 _journal_page_last 705 _journal_volume 55 _journal_year 1999 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _exptl_crystal_F_000 696.00 _cod_data_source_file jz1325sup2.hkl _cod_data_source_block m81c2c #BEGIN Tags that were not found in dictionaries: _shelx_title ' m81c2c in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 428.03 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries 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 41977.51 42494.00 1923.13 o 4 0 0 17130.19 16972.68 365.96 o 6 0 0 12966.24 11376.41 379.08 o 8 0 0 45040.91 43186.15 828.21 o 10 0 0 9174.99 8587.54 658.92 o 12 0 0 2146.57 2025.60 123.70 o 14 0 0 2706.53 2465.41 144.96 o 1 1 0 48256.90 50872.71 483.15 o 3 1 0 6752.74 5695.54 244.44 o 5 1 0 18879.63 19236.66 411.53 o 7 1 0 36939.27 36981.02 741.49 o 9 1 0 9839.24 9745.57 235.65 o 11 1 0 1045.06 1037.00 88.89 o 13 1 0 3150.82 3181.67 112.93 o 15 1 0 4408.71 4388.26 139.51 o 0 2 0 26472.91 24720.89 532.25 o 2 2 0 30652.04 31075.62 460.97 o 4 2 0 22846.15 22714.03 1203.95 o 6 2 0 10914.77 10433.45 272.16 o 8 2 0 10713.29 10729.52 326.83 o 10 2 0 7890.43 7778.77 265.95 o 12 2 0 2469.00 2364.76 129.06 o 14 2 0 2678.71 2642.65 153.61 o 1 3 0 24172.52 24560.31 479.98 o 3 3 0 23136.23 23813.04 658.47 o 5 3 0 4099.90 4101.26 161.82 o 7 3 0 5862.42 5872.74 263.61 o 9 3 0 20646.92 20312.18 682.72 o 11 3 0 7054.16 7013.04 393.94 o 13 3 0 152.29 189.43 289.44 o 0 4 0 32241.08 32312.08 876.43 o 2 4 0 18208.34 18807.43 504.73 o 4 4 0 4269.05 4855.77 175.56 o 6 4 0 4176.03 4028.64 158.79 o 8 4 0 11415.12 11378.54 384.25 o 10 4 0 8376.62 8164.19 560.55 o 12 4 0 1589.26 1617.38 158.31 o 1 5 0 6067.55 6067.52 389.60 o 3 5 0 6449.61 6314.31 250.12 o 5 5 0 15730.87 15876.08 669.42 o 7 5 0 12022.92 11472.95 378.77 o 9 5 0 946.76 877.54 122.88 o 11 5 0 591.24 472.82 286.21 o 0 6 0 16133.60 16090.76 572.42 o 2 6 0 5697.49 6438.92 218.40 o 4 6 0 1939.55 1948.75 97.55 o 6 6 0 6217.98 6180.45 231.98 o 8 6 0 4108.20 4038.62 155.20 o 10 6 0 1399.77 1709.25 302.42 o 1 7 0 7152.76 7400.99 270.57 o 3 7 0 2508.80 2342.31 116.04 o 5 7 0 1521.35 1488.33 512.17 o 7 7 0 2839.00 2905.46 187.61 o 9 7 0 3365.36 3281.72 239.65 o 0 8 0 74.77 48.39 414.94 o 2 8 0 2516.59 2500.39 123.30 o 4 8 0 6900.82 6502.22 245.47 o 6 8 0 2128.89 2120.01 129.61 o 8 8 0 555.90 433.05 345.32 o 1 9 0 349.66 57.97 346.01 o 3 9 0 3892.89 3651.08 174.94 o 5 9 0 2632.01 2773.20 202.90 o -15 1 1 63.90 184.37 212.94 o -13 1 1 2830.50 2679.33 103.31 o -11 1 1 92.65 210.62 143.09 o -9 1 1 6337.94 6285.98 272.57 o -7 1 1 127.39 107.41 102.14 o -5 1 1 5491.93 5503.91 127.83 o -3 1 1 28.00 120.74 78.91 o -1 1 1 22.40 67.75 61.72 o 1 1 1 26.89 42.98 67.44 o 3 1 1 7461.65 7547.58 181.91 o 5 1 1 12.31 1404.45 336.68 o 7 1 1 6502.17 6394.59 163.63 o 9 1 1 1.23 96.71 130.98 o 11 1 1 2487.01 2380.31 84.93 o 13 1 1 26.41 317.37 158.85 o -14 2 1 107.12 115.91 239.10 o -12 2 1 55.62 45.19 221.58 o -10 2 1 2020.84 1932.12 230.98 o -8 2 1 48.08 27.85 184.15 o -6 2 1 9348.32 8541.73 330.94 o -4 2 1 1405.88 1533.64 88.33 o -2 2 1 24129.38 25372.87 410.31 o 0 2 1 2591.16 2670.92 295.57 o 2 2 1 12791.35 13664.56 1946.87 o 4 2 1 648.21 472.69 143.14 o 6 2 1 1240.10 1332.88 74.63 o 8 2 1 5.78 319.18 170.31 o 10 2 1 0.54 39.79 214.36 o 12 2 1 155.96 369.76 275.50 o 14 2 1 107.44 69.25 308.29 o -13 3 1 4.26 188.95 249.53 o -11 3 1 237.20 143.64 214.13 o -9 3 1 35.47 34.24 214.53 o -7 3 1 583.12 900.44 87.24 o -5 3 1 277.17 71.48 162.51 o -3 3 1 2018.21 2154.79 70.29 o -1 3 1 2121.37 2316.00 84.08 o 1 3 1 2687.95 3785.53 913.64 o 3 3 1 4531.14 4937.31 177.68 o 5 3 1 961.20 929.08 64.23 o 7 3 1 3595.99 3950.31 263.61 o 9 3 1 180.45 345.30 293.06 o 11 3 1 1929.48 1642.05 263.84 o 13 3 1 0.03 57.52 266.35 o -14 4 1 138.72 224.38 295.32 o -12 4 1 55.47 237.50 246.07 o -10 4 1 38.50 453.44 202.20 o -8 4 1 1964.21 1909.69 96.10 o -6 4 1 304.75 338.63 177.78 o -4 4 1 7963.53 7721.40 256.38 o -2 4 1 1080.40 1146.37 63.06 o 0 4 1 13855.36 15734.78 739.49 o 2 4 1 874.65 608.67 354.68 o 4 4 1 7107.97 7132.83 529.51 o 6 4 1 46.80 203.23 168.65 o 8 4 1 1077.56 1447.41 268.18 o 10 4 1 274.35 698.82 243.16 o 12 4 1 33.97 328.95 233.92 o -13 5 1 3.55 93.42 307.44 o -11 5 1 6.34 139.74 238.07 o -9 5 1 36.61 146.15 224.40 o -7 5 1 474.34 526.05 186.73 o -5 5 1 91.14 208.27 183.96 o -3 5 1 896.72 771.18 198.25 o -1 5 1 916.29 1570.01 511.25 o 1 5 1 670.94 931.95 291.00 o 3 5 1 2402.93 2439.83 171.18 o 5 5 1 173.28 105.48 192.11 o 7 5 1 2053.42 1807.07 364.50 o 9 5 1 2.45 344.15 192.40 o 11 5 1 995.12 641.04 296.40 o -12 6 1 143.16 561.39 276.77 o -10 6 1 661.34 722.88 354.45 o -8 6 1 269.67 441.29 272.29 o -6 6 1 2391.78 2463.72 132.83 o -4 6 1 391.24 537.20 114.80 o -2 6 1 5490.03 5750.59 201.08 o 0 6 1 20.92 186.09 169.80 o 2 6 1 5114.41 5196.98 169.37 o 4 6 1 138.75 107.88 216.34 o 6 6 1 2150.11 2095.83 115.26 o 8 6 1 254.39 82.38 262.55 o 10 6 1 595.23 517.32 140.87 o -9 7 1 1678.35 1623.86 163.81 o -7 7 1 51.84 49.76 256.32 o -5 7 1 1141.96 908.94 157.94 o -3 7 1 269.35 491.08 243.65 o -1 7 1 197.18 87.43 250.08 o 1 7 1 381.30 580.07 220.79 o 3 7 1 59.17 146.53 223.25 o 5 7 1 225.96 47.02 264.64 o 7 7 1 280.91 451.14 262.27 o 9 7 1 102.52 59.34 331.99 o -8 8 1 470.86 455.48 265.30 o -6 8 1 141.91 126.24 218.15 o -4 8 1 279.09 467.11 383.90 o -2 8 1 64.53 49.30 236.46 o 0 8 1 111.59 81.51 211.55 o 2 8 1 19.03 173.45 202.44 o 4 8 1 9.19 435.99 251.53 o 6 8 1 209.28 479.17 279.25 o -5 9 1 26.67 421.91 317.71 o -3 9 1 145.49 530.72 252.49 o -1 9 1 74.10 337.81 233.26 o 1 9 1 123.77 495.56 428.40 o 3 9 1 419.40 167.20 283.15 o -14 0 2 4956.19 5200.22 239.19 o -12 0 2 1533.13 1630.95 307.89 o -10 0 2 11513.73 10238.33 333.48 o -8 0 2 33039.72 32560.75 676.83 o -6 0 2 9179.58 9208.11 318.42 o -4 0 2 6143.53 6484.73 182.68 o -2 0 2 56988.60 58237.59 1653.36 o 0 0 2 52288.80 52431.87 1353.91 o 2 0 2 22184.42 20538.78 351.34 o 4 0 2 20562.49 22343.54 572.65 o 6 0 2 10210.67 10057.12 288.24 o 8 0 2 8913.97 8633.54 289.30 o 10 0 2 14187.58 12914.10 437.46 o 12 0 2 3716.61 3496.36 153.43 o 14 0 2 114.35 319.33 339.43 o -15 1 2 7259.87 7135.59 163.65 o -13 1 2 4582.25 4661.09 123.66 o -11 1 2 1344.37 1266.44 65.08 o -9 1 2 10114.26 10458.91 224.98 o -7 1 2 29589.59 29690.13 593.70 o -5 1 2 21162.83 22385.00 478.80 o -3 1 2 17334.32 17273.03 354.87 o -1 1 2 37598.16 36100.97 1177.66 o 1 1 2 45017.73 46336.11 350.35 o 3 1 2 31075.37 30344.85 368.56 o 5 1 2 9748.49 9273.94 178.34 o 7 1 2 4551.56 4520.31 107.46 o 9 1 2 11363.80 11230.70 260.63 o 11 1 2 10028.64 10008.04 252.81 o 13 1 2 1741.92 1823.13 99.76 o -14 2 2 6356.44 6207.69 242.84 o -12 2 2 2731.19 2858.05 171.86 o -10 2 2 280.78 248.99 179.69 o -8 2 2 17755.72 18063.72 642.49 o -6 2 2 81050.77 77841.58 3547.50 o -4 2 2 16128.56 15213.19 371.39 o -2 2 2 9242.61 9668.19 267.05 o 0 2 2 20913.44 19320.75 468.12 o 2 2 2 111269.61 102946.91 5373.63 o 4 2 2 22665.91 22850.11 505.30 o 6 2 2 1844.53 1753.06 80.42 o 8 2 2 6803.70 6848.86 232.45 o 10 2 2 7223.67 7136.60 236.28 o 12 2 2 3496.74 3451.42 153.00 o -15 3 2 1188.71 1240.13 360.10 o -13 3 2 8240.17 8008.61 738.12 o -11 3 2 8486.76 8471.08 273.01 o -9 3 2 1786.33 1704.41 482.49 o -7 3 2 9602.78 9997.31 296.89 o -5 3 2 23502.63 23975.65 546.76 o -3 3 2 8848.89 9007.07 305.61 o -1 3 2 28075.78 27331.82 499.90 o 1 3 2 59976.63 58235.86 750.49 o 3 3 2 5138.55 5283.66 179.01 o 5 3 2 11.51 199.02 178.94 o 7 3 2 17620.55 17111.55 631.99 o 9 3 2 20699.32 20406.99 550.51 o 11 3 2 1515.68 1284.59 199.48 o 13 3 2 468.54 474.55 405.35 o -14 4 2 2089.01 2094.88 149.40 o -12 4 2 3810.08 3479.70 204.50 o -10 4 2 4669.57 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4673.62 165.77 o 2 6 2 2597.82 2549.84 106.46 o 4 6 2 8495.56 8377.90 280.17 o 6 6 2 4639.61 4971.69 190.91 o 8 6 2 1200.99 1093.59 449.63 o 10 6 2 3032.36 3044.66 312.46 o -11 7 2 3393.09 2984.00 244.44 o -9 7 2 3381.97 3662.73 145.04 o -7 7 2 804.00 971.45 290.77 o -5 7 2 1155.08 1299.37 343.27 o -3 7 2 7802.55 7576.78 280.72 o -1 7 2 9785.72 9338.00 335.13 o 1 7 2 2531.64 2669.24 121.13 o 3 7 2 925.88 957.30 126.04 o 5 7 2 2767.18 2565.67 128.42 o 7 7 2 4237.16 4283.65 178.43 o 9 7 2 2694.78 1649.45 454.53 o -8 8 2 1441.32 1739.69 265.44 o -6 8 2 4325.64 4457.24 196.28 o -4 8 2 3079.65 3010.28 184.64 o -2 8 2 627.27 942.03 220.97 o 0 8 2 1785.71 1772.13 203.82 o 2 8 2 4261.44 4282.15 173.69 o 4 8 2 2782.47 2431.49 259.73 o 6 8 2 1830.76 1553.84 194.78 o -5 9 2 2939.01 3098.10 597.07 o -3 9 2 1173.29 1025.56 333.64 o -1 9 2 706.00 364.40 265.13 o 1 9 2 2225.66 1986.56 148.82 o 3 9 2 1968.64 2030.58 146.70 o -15 1 3 740.62 784.75 227.15 o -13 1 3 273.60 271.57 173.72 o -11 1 3 1283.13 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40.30 51.13 230.44 o 11 5 3 4.09 139.09 303.40 o -12 6 3 22.32 175.56 301.57 o -10 6 3 334.04 968.70 374.31 o -8 6 3 9.12 45.58 191.18 o -6 6 3 977.64 847.90 259.83 o -4 6 3 120.61 147.52 215.60 o -2 6 3 662.20 716.76 78.06 o 0 6 3 190.52 553.09 270.23 o 2 6 3 133.22 82.72 229.49 o 4 6 3 45.02 384.28 166.29 o 6 6 3 5.45 220.03 212.25 o 8 6 3 8.14 211.53 173.52 o 10 6 3 111.23 275.59 284.17 o -11 7 3 165.85 425.03 316.79 o -9 7 3 21.91 365.10 297.85 o -7 7 3 1.23 50.86 204.74 o -5 7 3 3.24 44.73 232.69 o -3 7 3 416.09 521.06 173.46 o -1 7 3 0.01 67.88 229.15 o 1 7 3 1935.35 1784.56 120.28 o 3 7 3 0.31 427.34 329.80 o 5 7 3 2265.48 2159.12 125.40 o 7 7 3 0.27 467.90 255.85 o -8 8 3 326.43 539.23 325.62 o -6 8 3 2.49 285.17 254.00 o -4 8 3 573.48 885.64 125.93 o -2 8 3 152.31 168.54 216.27 o 0 8 3 1020.72 1067.03 134.11 o 2 8 3 412.18 375.91 196.79 o 4 8 3 950.06 1307.28 337.30 o 6 8 3 345.19 902.85 287.19 o -5 9 3 47.13 497.09 339.39 o -3 9 3 22.97 386.32 313.37 o -1 9 3 0.06 165.20 279.89 o 1 9 3 166.42 339.82 230.25 o 3 9 3 45.04 167.36 251.27 o -16 0 4 824.33 916.95 298.21 o -14 0 4 6138.45 5780.65 608.25 o -12 0 4 23779.66 23593.00 768.77 o -10 0 4 5739.38 6131.33 237.14 o -8 0 4 2127.26 2298.03 95.18 o -6 0 4 26760.00 29637.85 1367.60 o -4 0 4 183213.34 187742.19 1133.85 o -2 0 4 25948.40 25364.23 385.20 o 0 0 4 2196.47 2592.06 95.53 o 2 0 4 25678.71 23058.51 615.33 o 4 0 4 32669.91 32032.43 615.82 o 6 0 4 6397.09 6703.36 259.16 o 8 0 4 9829.00 9875.41 692.25 o 10 0 4 8121.11 8166.47 278.93 o 12 0 4 791.09 600.65 294.61 o -15 1 4 2243.75 2379.05 93.39 o -13 1 4 7096.96 7069.54 169.25 o -11 1 4 9735.85 9842.84 239.92 o -9 1 4 5578.57 5844.19 154.06 o -7 1 4 16522.47 17264.60 784.64 o -5 1 4 48882.51 51376.05 1411.09 o -3 1 4 11457.28 10104.64 755.13 o -1 1 4 282.15 122.07 88.04 o 1 1 4 44128.81 44327.54 564.38 o 3 1 4 65925.23 64747.93 744.78 o 5 1 4 7008.23 6568.77 171.01 o 7 1 4 414.62 402.53 158.65 o 9 1 4 7057.27 7200.22 188.35 o 11 1 4 8092.86 8356.63 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