#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/48/2214813.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_2214813_Fobs loop_ _publ_author_name 'Grigoriev, Mikhail S.' 'German, Konstantin E.' 'Maruk, Alesia Ya.' _publ_section_title ; Guanidinium tetraoxidorhenate(VII) ; _journal_coeditor_code NG2292 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2061 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 75.314 _cell_angle_beta 88.707 _cell_angle_gamma 80.985 _cell_length_a 4.9657 _cell_length_b 7.7187 _cell_length_c 8.4423 _exptl_crystal_F_000 280.00 _reflns_d_resolution_high 0.6196 _[local]_cod_data_source_file ng2292Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Germ in P1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 166.88 _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' 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 15410.68 14193.90 236.82 o 2 0 0 17922.28 17064.00 216.93 o 3 0 0 8788.48 8317.20 84.91 o 4 0 0 6796.45 6570.70 103.36 o 5 0 0 4333.45 4257.17 85.59 o 6 0 0 3776.56 3748.09 76.89 o 7 0 0 2940.26 2887.63 66.21 o -7 1 0 1.01 -29.44 29.44 o -6 1 0 3.80 -28.66 29.13 o -5 1 0 0.15 -20.49 20.49 o -4 1 0 1.70 8.80 7.45 o -3 1 0 44.27 33.55 5.93 o -2 1 0 184.88 221.41 7.32 o -1 1 0 433.59 405.83 14.64 o 0 1 0 24.12 45.09 4.54 o 1 1 0 0.29 -3.03 3.86 o 2 1 0 2430.95 2599.53 24.53 o 3 1 0 2.65 4.23 4.50 o 4 1 0 5.90 7.39 8.32 o 5 1 0 2.08 13.69 11.71 o 6 1 0 71.12 75.23 16.16 o 7 1 0 102.40 118.97 59.77 o -7 2 0 2446.32 2522.41 109.50 o -6 2 0 4558.10 4645.44 110.06 o -5 2 0 4824.70 4825.33 160.42 o -4 2 0 7495.88 6972.98 82.39 o -3 2 0 7978.44 7412.26 100.53 o -2 2 0 12832.91 12107.26 172.87 o -1 2 0 3486.75 3347.89 50.00 o 0 2 0 27849.13 26138.85 282.78 o 1 2 0 15353.51 14786.17 168.40 o 2 2 0 17178.49 16849.22 177.60 o 3 2 0 10828.48 10572.44 126.28 o 4 2 0 7028.04 6780.23 91.47 o 5 2 0 5558.10 5371.55 141.97 o 6 2 0 3405.16 3394.92 77.04 o 7 2 0 3078.54 3095.76 172.66 o 8 2 0 2036.95 1740.12 129.06 o -7 3 0 8.81 -9.78 34.79 o -6 3 0 0.37 18.60 33.77 o -5 3 0 3.56 -19.01 19.01 o -4 3 0 41.59 31.82 20.33 o -3 3 0 0.34 -4.05 19.50 o -2 3 0 77.26 86.71 14.36 o -1 3 0 171.28 191.73 12.41 o 0 3 0 320.54 383.35 11.69 o 1 3 0 3776.20 3940.88 49.42 o 2 3 0 12.16 26.32 5.74 o 3 3 0 128.53 148.22 9.22 o 4 3 0 5.79 -3.05 9.69 o 5 3 0 22.66 -10.18 19.80 o 6 3 0 0.80 25.85 31.13 o 7 3 0 13.63 -19.19 37.59 o -7 4 0 1324.84 1269.09 58.79 o -6 4 0 2827.90 2805.69 82.16 o -5 4 0 3180.91 3232.63 68.80 o -4 4 0 5024.01 4911.04 77.93 o -3 4 0 6053.28 6022.61 89.95 o -2 4 0 10898.66 10549.27 148.92 o -1 4 0 6783.95 6661.11 93.91 o 0 4 0 12231.85 12171.24 145.14 o 1 4 0 11398.55 11418.70 111.93 o 2 4 0 13780.50 13452.83 155.46 o 3 4 0 12794.87 12419.47 134.43 o 4 4 0 6760.81 6793.19 86.71 o 5 4 0 6480.79 6524.52 106.43 o 6 4 0 3276.45 3480.58 100.27 o 7 4 0 2343.54 2397.04 116.77 o -6 5 0 7.65 5.42 35.95 o -5 5 0 147.46 128.02 27.48 o -4 5 0 1.03 6.38 19.76 o -3 5 0 236.94 284.47 28.48 o -2 5 0 10.25 31.24 17.18 o -1 5 0 16.64 20.57 14.31 o 0 5 0 148.39 174.35 11.73 o 1 5 0 535.00 572.07 13.93 o 2 5 0 1.09 12.86 8.26 o 3 5 0 32.53 43.58 9.40 o 4 5 0 75.70 58.55 13.90 o 5 5 0 3.81 -2.04 16.55 o 6 5 0 29.92 39.27 29.72 o 7 5 0 1.78 -23.35 33.33 o -6 6 0 1935.54 1871.18 68.36 o -5 6 0 2537.57 2463.57 61.65 o -4 6 0 3676.86 3763.72 66.20 o -3 6 0 4560.95 4699.38 75.39 o -2 6 0 6710.89 6781.82 99.52 o -1 6 0 7106.92 7175.95 102.62 o 0 6 0 7657.52 7822.13 109.10 o 1 6 0 6013.32 6043.23 67.63 o 2 6 0 5419.22 5416.02 63.73 o 3 6 0 7367.01 7401.42 84.90 o 4 6 0 3928.42 3979.99 56.34 o 5 6 0 4680.39 4671.86 75.42 o 6 6 0 3452.66 3615.97 108.63 o 7 6 0 2497.84 2497.80 206.08 o -5 7 0 87.03 66.48 33.82 o -4 7 0 17.42 -23.21 23.26 o -3 7 0 47.08 40.80 21.10 o -2 7 0 22.88 1.13 28.01 o -1 7 0 110.07 132.90 22.78 o 0 7 0 3.21 20.23 16.88 o 1 7 0 165.47 167.57 14.73 o 2 7 0 142.84 169.78 11.73 o 3 7 0 80.13 107.54 14.82 o 4 7 0 306.18 316.78 18.04 o 5 7 0 11.32 -3.39 20.43 o 6 7 0 210.59 223.21 29.80 o 7 7 0 2.80 -30.13 37.95 o -5 8 0 1547.59 1449.57 50.18 o -4 8 0 1971.13 1933.12 46.99 o -3 8 0 2583.78 2636.74 53.00 o -2 8 0 2776.37 2940.67 64.04 o -1 8 0 3753.55 3842.19 73.82 o 0 8 0 4932.53 5099.47 132.33 o 1 8 0 4933.86 5157.30 79.34 o 2 8 0 4050.34 4116.32 51.03 o 3 8 0 5590.16 5616.02 76.15 o 4 8 0 3662.32 3702.62 57.14 o 5 8 0 3105.16 3155.97 60.98 o 6 8 0 2748.56 2787.63 68.32 o -4 9 0 10.42 -29.92 29.92 o -3 9 0 58.09 5.03 28.52 o -2 9 0 45.10 14.23 26.13 o -1 9 0 143.55 132.86 27.39 o 0 9 0 93.17 77.32 53.04 o 1 9 0 50.43 52.25 18.62 o 2 9 0 105.40 105.77 16.61 o 3 9 0 7.27 -19.87 19.87 o 4 9 0 142.56 131.29 21.69 o 5 9 0 19.27 -25.15 25.15 o 6 9 0 145.20 37.54 29.43 o -3 10 0 2090.66 1967.14 56.28 o -2 10 0 2079.14 2006.27 66.75 o -1 10 0 2266.36 2235.38 81.52 o 0 10 0 2882.28 2892.38 76.53 o 1 10 0 2934.29 3035.53 53.17 o 2 10 0 2401.26 2580.78 47.28 o 3 10 0 2615.12 2545.98 57.88 o 4 10 0 2482.80 2398.94 50.74 o 5 10 0 1720.02 1629.11 64.32 o -2 11 0 12.98 -12.12 36.72 o -1 11 0 6.88 -7.53 34.49 o 0 11 0 56.21 84.50 25.37 o 1 11 0 20.45 10.01 21.95 o 2 11 0 99.96 106.30 22.08 o 3 11 0 33.33 39.12 34.23 o 4 11 0 297.31 248.75 58.77 o 1 12 0 1419.20 1353.81 38.30 o -3 -11 1 1631.99 1640.21 71.55 o -2 -11 1 1263.16 1313.60 53.70 o -1 -11 1 1148.89 1186.83 35.78 o 0 -11 1 1279.26 1280.44 44.77 o 1 -11 1 1161.46 1060.79 55.02 o -5 -10 1 714.73 621.92 106.42 o -4 -10 1 348.78 312.02 71.26 o -3 -10 1 687.96 684.84 41.39 o -2 -10 1 493.47 537.56 26.15 o -1 -10 1 930.71 968.72 32.72 o 0 -10 1 542.53 567.36 54.43 o 1 -10 1 557.83 600.99 67.61 o 2 -10 1 661.24 571.43 44.36 o 3 -10 1 318.59 280.62 33.70 o -5 -9 1 1408.04 1394.84 63.94 o -4 -9 1 1731.17 1743.75 40.05 o -3 -9 1 2592.52 2579.26 59.74 o -2 -9 1 3262.03 3486.47 94.34 o -1 -9 1 2859.59 3082.93 52.82 o 0 -9 1 2886.94 2984.64 77.13 o 1 -9 1 2410.32 2492.89 71.22 o 2 -9 1 1656.76 1710.68 52.27 o 3 -9 1 1422.00 1362.80 57.12 o 4 -9 1 898.28 891.10 43.90 o -6 -8 1 463.55 484.55 32.59 o -5 -8 1 1059.37 1093.07 39.26 o -4 -8 1 860.75 884.45 30.29 o -3 -8 1 1027.34 995.58 29.33 o -2 -8 1 684.53 759.56 25.27 o -1 -8 1 1549.77 1639.84 35.89 o 0 -8 1 1315.93 1472.08 51.06 o 1 -8 1 958.16 949.30 35.36 o 2 -8 1 1375.85 1426.76 44.54 o 3 -8 1 659.45 686.77 37.30 o 4 -8 1 437.12 415.03 29.34 o -7 -7 1 1454.10 1526.56 105.40 o -6 -7 1 3022.93 3135.27 62.94 o -5 -7 1 2787.49 2904.22 57.08 o -4 -7 1 3072.81 3071.62 49.12 o -3 -7 1 2856.77 2936.59 46.55 o -2 -7 1 3767.52 3812.44 45.56 o -1 -7 1 3943.26 4014.17 59.13 o 0 -7 1 4281.51 4445.01 79.69 o 1 -7 1 3879.10 4135.56 77.90 o 2 -7 1 3107.75 3258.48 57.28 o 3 -7 1 2884.37 2971.26 56.09 o 4 -7 1 1358.29 1378.97 40.69 o 5 -7 1 1451.55 1376.95 47.96 o -7 -6 1 737.27 778.92 50.41 o -6 -6 1 671.02 707.37 33.07 o -5 -6 1 1208.80 1242.09 37.03 o -4 -6 1 1948.41 2009.40 36.57 o 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1 1229.55 1263.66 35.13 o 2 -4 1 1695.86 1749.52 37.54 o 3 -4 1 975.79 981.97 30.44 o 4 -4 1 1282.77 1311.76 35.54 o 5 -4 1 1018.23 980.22 45.78 o 6 -4 1 518.60 524.61 44.43 o -7 -3 1 1695.29 1710.81 96.07 o -6 -3 1 3811.66 3822.84 87.25 o -5 -3 1 4368.11 4485.29 91.99 o -4 -3 1 7540.86 7575.46 95.55 o -3 -3 1 12481.99 12471.98 134.85 o -2 -3 1 9213.19 8776.32 103.36 o -1 -3 1 9271.52 9018.95 79.51 o 0 -3 1 8214.89 7635.29 128.88 o 1 -3 1 7966.52 7841.56 98.72 o 2 -3 1 3691.69 3575.82 75.56 o 3 -3 1 8157.15 7926.38 116.72 o 4 -3 1 4616.67 4402.38 61.21 o 5 -3 1 3762.61 3740.79 74.31 o 6 -3 1 2323.72 2323.52 72.49 o 7 -3 1 1458.62 1550.65 62.40 o -7 -2 1 525.90 481.18 48.52 o -6 -2 1 1133.20 1158.13 48.07 o -5 -2 1 711.36 726.54 27.36 o -4 -2 1 1327.45 1290.37 25.61 o -3 -2 1 2314.87 2238.24 32.99 o -2 -2 1 3634.37 3735.77 66.40 o -1 -2 1 4858.69 4806.84 45.12 o 0 -2 1 4009.43 3957.74 50.10 o 1 -2 1 1891.91 1814.32 36.65 o 2 -2 1 1705.23 1728.15 39.52 o 3 -2 1 452.58 457.77 24.04 o 4 -2 1 370.32 396.06 18.00 o 5 -2 1 940.04 981.85 46.35 o 6 -2 1 696.27 691.52 45.16 o 7 -2 1 373.57 412.09 41.02 o -7 -1 1 1852.49 2091.06 131.59 o -6 -1 1 3580.30 3477.01 65.35 o -5 -1 1 3866.30 3766.48 71.17 o -4 -1 1 4255.29 4116.11 57.71 o -3 -1 1 11880.15 11680.35 131.02 o -2 -1 1 11150.21 10827.75 94.47 o -1 -1 1 16916.63 16356.99 168.22 o 0 -1 1 13786.17 13494.52 137.10 o 1 -1 1 21591.57 19758.57 395.92 o 2 -1 1 6600.41 6268.21 73.35 o 3 -1 1 9592.44 9428.42 98.25 o 4 -1 1 5810.67 5618.73 72.11 o 5 -1 1 5418.52 5310.17 85.52 o 6 -1 1 3612.60 3702.10 90.07 o 7 -1 1 1891.25 1984.13 97.29 o -7 0 1 356.88 393.59 34.70 o -6 0 1 839.89 837.57 37.52 o -5 0 1 700.82 718.76 27.63 o -4 0 1 903.14 923.97 22.96 o -3 0 1 793.10 817.60 12.44 o -2 0 1 541.07 512.44 8.23 o -1 0 1 4800.90 4631.10 48.17 o 1 0 1 3798.57 3815.00 49.28 o 2 0 1 4935.25 4925.60 60.44 o 3 0 1 2987.69 2963.65 30.67 o 4 0 1 613.13 620.95 14.69 o 5 0 1 851.79 816.64 22.52 o 6 0 1 620.23 627.68 25.88 o 7 0 1 311.05 304.47 32.01 o -7 1 1 1717.17 1829.30 186.71 o -6 1 1 3406.38 3357.41 73.90 o -5 1 1 5362.40 5335.90 106.93 o -4 1 1 4800.09 4609.79 63.96 o -3 1 1 11943.34 11300.21 147.32 o -2 1 1 12471.20 11944.20 114.84 o -1 1 1 23093.42 21463.79 234.77 o 0 1 1 14636.32 14443.01 186.45 o 1 1 1 21393.62 21106.97 345.86 o 2 1 1 10001.91 9550.10 137.29 o 3 1 1 9115.89 8794.29 161.56 o 4 1 1 4331.64 4193.76 49.46 o 5 1 1 4165.81 4075.80 54.40 o 6 1 1 4005.73 4001.15 71.38 o 7 1 1 2128.99 2057.39 58.55 o -7 2 1 259.92 218.15 49.30 o -6 2 1 447.19 484.83 40.65 o -5 2 1 615.31 605.67 52.93 o -4 2 1 1208.32 1147.95 30.52 o -3 2 1 2364.60 2296.16 30.55 o -2 2 1 577.01 568.85 16.19 o -1 2 1 6540.15 6359.17 97.58 o 0 2 1 2393.11 2262.55 47.94 o 1 2 1 1873.26 1809.46 25.44 o 2 2 1 1343.85 1335.81 22.22 o 3 2 1 2189.75 2226.51 30.51 o 4 2 1 589.52 598.03 21.32 o 5 2 1 515.53 542.45 17.05 o 6 2 1 393.99 401.31 28.42 o 7 2 1 210.05 281.01 51.06 o -7 3 1 1626.10 1606.91 63.25 o -6 3 1 2423.88 2378.27 79.36 o -5 3 1 4342.62 4045.02 78.34 o -4 3 1 4073.02 3843.41 63.05 o -3 3 1 7637.75 7278.13 86.46 o -2 3 1 6910.82 6511.73 83.89 o -1 3 1 11847.74 11153.85 147.97 o 0 3 1 11918.83 11148.10 119.03 o 1 3 1 10852.88 10266.92 99.95 o 2 3 1 10249.88 9895.41 105.77 o 3 3 1 12008.50 11783.38 140.33 o 4 3 1 6853.03 6738.45 85.14 o 5 3 1 4420.87 4296.05 85.19 o 6 3 1 4556.00 4456.06 142.50 o 7 3 1 2395.68 2457.59 86.83 o -7 4 1 346.70 398.80 44.03 o -6 4 1 384.68 361.42 42.21 o -5 4 1 392.97 405.46 29.13 o -4 4 1 314.65 380.00 31.41 o -3 4 1 1371.38 1286.10 28.45 o -2 4 1 45.95 47.03 14.44 o -1 4 1 1552.40 1556.58 33.30 o 0 4 1 998.80 935.64 16.89 o 1 4 1 1553.70 1468.16 19.82 o 2 4 1 876.78 810.33 12.79 o 3 4 1 1244.02 1251.20 30.68 o 4 4 1 961.42 929.52 22.05 o 5 4 1 736.12 735.67 29.53 o 6 4 1 554.59 512.92 34.41 o 7 4 1 195.69 209.78 35.08 o -6 5 1 1691.21 1608.33 80.93 o -5 5 1 2663.05 2643.76 63.39 o -4 5 1 3225.14 3217.05 58.88 o -3 5 1 5863.89 5679.01 86.56 o -2 5 1 6787.27 6662.33 109.43 o -1 5 1 8918.70 8839.85 132.19 o 0 5 1 13573.91 13295.79 144.05 o 1 5 1 9877.24 9614.60 87.93 o 2 5 1 7126.57 6984.35 77.67 o 3 5 1 7386.33 7233.76 81.45 o 4 5 1 5624.83 5484.60 72.25 o 5 5 1 3254.53 3341.45 57.50 o 6 5 1 3307.36 3450.34 126.66 o 7 5 1 2174.87 2131.46 107.03 o -6 6 1 193.76 247.94 51.77 o -5 6 1 360.90 365.73 48.51 o -4 6 1 144.43 110.49 23.09 o -3 6 1 994.54 1033.70 33.90 o -2 6 1 205.88 206.46 19.96 o -1 6 1 926.94 910.29 28.57 o 0 6 1 712.26 702.89 20.91 o 1 6 1 1299.89 1281.60 27.68 o 2 6 1 1334.24 1339.18 21.28 o 3 6 1 581.99 609.07 17.05 o 4 6 1 507.15 482.43 18.60 o 5 6 1 290.58 289.22 21.10 o 6 6 1 303.54 313.18 32.22 o 7 6 1 28.65 16.29 34.73 o -5 7 1 2039.37 2035.41 57.13 o -4 7 1 2364.45 2371.63 51.15 o -3 7 1 3270.82 3310.25 59.88 o -2 7 1 3889.87 3867.90 64.83 o -1 7 1 3468.61 3483.61 57.97 o 0 7 1 6265.51 6175.48 90.07 o 1 7 1 6269.50 6274.25 74.02 o 2 7 1 5254.81 5308.72 57.80 o 3 7 1 4967.64 4962.67 60.84 o 4 7 1 4407.56 4328.96 69.53 o 5 7 1 3294.43 3414.98 66.24 o 6 7 1 2701.97 2771.66 57.65 o 7 7 1 2079.26 2016.62 83.67 o -5 8 1 300.85 289.97 33.57 o -4 8 1 141.78 137.77 26.34 o -3 8 1 533.88 552.63 29.04 o -2 8 1 173.73 154.08 21.67 o -1 8 1 333.78 381.19 34.31 o 0 8 1 106.37 103.15 20.05 o 1 8 1 69.58 45.98 15.12 o 2 8 1 518.19 551.77 18.10 o 3 8 1 254.38 274.13 17.91 o 4 8 1 389.64 398.14 25.87 o 5 8 1 253.97 280.22 25.56 o 6 8 1 459.11 460.72 31.42 o -4 9 1 1600.58 1492.94 81.70 o -3 9 1 2015.83 1904.96 80.76 o -2 9 1 2907.30 2942.12 65.68 o -1 9 1 2411.99 2311.51 54.32 o 0 9 1 3433.83 3433.30 82.93 o 1 9 1 4184.04 4240.69 58.22 o 2 9 1 4152.59 4208.38 60.36 o 3 9 1 4185.08 4161.23 70.55 o 4 9 1 2971.78 3017.49 54.26 o 5 9 1 2731.29 2759.99 57.78 o 6 9 1 1793.61 1848.31 54.03 o -3 10 1 165.79 144.98 32.53 o -2 10 1 114.49 54.12 28.57 o -1 10 1 316.16 308.71 37.62 o 0 10 1 324.67 350.79 40.35 o 1 10 1 54.17 78.62 20.38 o 2 10 1 289.13 310.32 19.84 o 3 10 1 152.94 146.45 23.10 o 4 10 1 219.21 156.87 24.86 o 5 10 1 89.38 43.34 29.75 o 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