#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/39/2203919.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_2203919_Fobs loop_ _publ_author_name 'Lee, Uk' 'Joo, Hea-Chung' _publ_section_title ; Octasodium hexatungstoplatinate(IV) hexaicosahydrate, Na~8~[PtW~6~O~24~]·26H~2~O ; _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i86 _journal_page_last i88 _journal_volume 60 _journal_year 2004 _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 93.560 _cell_angle_gamma 90.000 _cell_length_a 10.8730 _cell_length_b 11.7850 _cell_length_c 18.1160 _exptl_crystal_F_000 2124.00 _reflns_d_resolution_high 0.7703 _[local]_cod_data_source_file mg6028Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' NA8PTW6 POM' _shelx_refln_list_code 4 _shelx_f_calc_maximum 877.48 _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 564018.38 649226.19 3744.81 o 4 0 0 11123.76 14074.15 770.04 o 6 0 0 41163.73 44043.17 1295.66 o 8 0 0 23607.39 23739.83 1158.56 o 10 0 0 24.87 -539.38 539.38 o 12 0 0 506.57 707.16 676.85 o 14 0 0 391.88 359.00 761.10 o 1 1 0 201074.77 220332.73 1487.55 o 2 1 0 271695.94 292474.00 2099.77 o 3 1 0 126626.35 136636.80 1608.15 o 4 1 0 78831.89 77797.36 1366.37 o 5 1 0 16153.85 17390.01 804.68 o 6 1 0 3876.45 4257.44 594.23 o 7 1 0 115.14 1366.29 539.41 o 8 1 0 22660.03 26740.02 1195.25 o 9 1 0 2708.03 3382.33 715.64 o 10 1 0 10372.32 10386.94 988.14 o 11 1 0 1391.84 1760.35 640.17 o 12 1 0 26.52 1063.60 652.56 o 13 1 0 787.42 1522.46 783.97 o 14 1 0 225.99 1716.76 729.33 o 0 2 0 4885.97 4903.32 483.28 o 1 2 0 18327.47 17741.15 547.44 o 2 2 0 18563.63 16799.30 595.14 o 3 2 0 59507.03 60907.71 1074.37 o 4 2 0 90262.65 88489.18 1444.54 o 5 2 0 22086.27 23634.56 878.32 o 6 2 0 147415.22 149671.44 2446.98 o 7 2 0 5313.61 4566.99 666.28 o 8 2 0 13979.46 14792.84 1015.60 o 9 2 0 206.97 137.82 588.69 o 10 2 0 5426.06 6345.37 838.99 o 11 2 0 1023.20 817.25 671.80 o 12 2 0 7300.37 8457.55 986.60 o 13 2 0 2154.98 3501.57 803.83 o 1 3 0 8540.21 12808.10 601.47 o 2 3 0 77722.84 73153.31 1147.43 o 3 3 0 48828.62 48096.52 996.12 o 4 3 0 17154.12 17210.50 726.05 o 5 3 0 79000.77 78356.40 1526.67 o 6 3 0 27803.59 27676.78 1031.86 o 7 3 0 30860.23 32526.73 1215.00 o 8 3 0 75807.64 83259.89 1977.22 o 9 3 0 9279.95 10785.30 963.61 o 10 3 0 16337.01 16626.30 1274.80 o 11 3 0 13.35 1106.22 659.18 o 12 3 0 52.62 -623.68 723.12 o 13 3 0 1581.02 1392.15 709.34 o 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2836.93 o 4 6 0 102055.45 105053.63 1821.00 o 5 6 0 114511.78 113391.84 2014.10 o 6 6 0 41170.53 41742.07 1350.54 o 7 6 0 28002.87 26157.44 1143.41 o 8 6 0 938.43 391.34 604.06 o 9 6 0 501.64 -419.19 584.50 o 10 6 0 3493.99 4735.25 750.32 o 11 6 0 1497.97 1513.46 690.39 o 12 6 0 287.58 -672.04 672.04 o 1 7 0 18414.18 19252.15 931.12 o 2 7 0 2910.63 2878.53 535.75 o 3 7 0 968.12 1246.25 463.91 o 4 7 0 15168.29 13470.08 778.41 o 5 7 0 45003.44 41741.89 1303.42 o 6 7 0 64952.30 64436.29 1670.98 o 7 7 0 36723.42 36878.25 1361.71 o 8 7 0 58087.23 57400.04 1788.41 o 9 7 0 15779.21 16963.29 1122.75 o 10 7 0 1747.83 1957.22 676.74 o 11 7 0 2580.82 2207.63 756.58 o 12 7 0 8156.12 10078.45 1062.66 o 0 8 0 6905.26 7626.44 741.14 o 1 8 0 6389.31 6935.03 724.70 o 2 8 0 1708.65 1968.79 543.28 o 3 8 0 6831.98 6808.18 704.26 o 4 8 0 791.64 1282.01 500.30 o 5 8 0 320.77 7.58 448.53 o 6 8 0 49.77 591.95 518.08 o 7 8 0 14535.19 13371.53 925.71 o 8 8 0 30251.14 28434.59 1395.80 o 9 8 0 19171.47 19852.64 1180.41 o 10 8 0 46970.67 47258.43 1818.36 o 11 8 0 7137.97 6751.41 927.45 o 12 8 0 11548.84 11077.87 1204.72 o 1 9 0 24997.32 25708.98 1156.93 o 2 9 0 13644.07 15821.54 940.67 o 3 9 0 93.82 1013.92 510.99 o 4 9 0 5578.09 6373.09 706.75 o 5 9 0 1897.10 1946.76 551.75 o 6 9 0 77.97 380.27 451.78 o 7 9 0 37.47 -268.03 522.81 o 8 9 0 174.34 1153.18 586.30 o 9 9 0 5752.78 6757.73 837.83 o 10 9 0 11672.19 10145.61 1067.61 o 11 9 0 17274.27 16182.71 1338.99 o 0 10 0 1495.52 1254.49 571.56 o 1 10 0 7993.94 7650.92 820.35 o 2 10 0 3551.48 3313.44 661.83 o 3 10 0 42962.45 41261.77 1462.30 o 4 10 0 19840.59 22236.29 1148.64 o 5 10 0 17673.35 17419.32 1029.10 o 6 10 0 7569.11 6886.51 790.25 o 7 10 0 2123.85 2961.50 636.10 o 8 10 0 538.55 523.39 560.33 o 9 10 0 32.62 -85.24 645.93 o 10 10 0 1011.05 441.52 668.44 o 1 11 0 9869.23 9285.07 859.84 o 2 11 0 38.93 558.80 536.07 o 3 11 0 1236.89 116.56 549.17 o 4 11 0 17491.46 16284.15 1034.47 o 5 11 0 16104.98 14977.14 1045.98 o 6 11 0 38022.36 38856.60 1576.75 o 7 11 0 12541.82 12480.51 1056.78 o 8 11 0 22985.06 23009.80 1319.53 o 9 11 0 5518.60 5466.48 864.18 o 0 12 0 5041.74 5214.87 767.02 o 1 12 0 831.36 1000.51 622.95 o 2 12 0 8259.69 7017.50 826.57 o 3 12 0 182.47 651.66 540.36 o 4 12 0 3543.95 3462.70 717.11 o 5 12 0 5917.52 5734.31 801.83 o 6 12 0 5740.26 4634.64 777.98 o 7 12 0 10031.04 8793.26 925.21 o 8 12 0 36877.08 39085.63 1714.01 o 1 13 0 2104.82 84.37 610.95 o 2 13 0 290.26 1830.01 613.79 o 3 13 0 5133.99 4441.44 750.28 o 4 13 0 119.41 -550.29 550.29 o 5 13 0 564.15 745.06 567.44 o 6 13 0 6813.39 6076.63 861.31 o 7 13 0 6175.60 4843.94 882.87 o 0 14 0 2658.15 3983.02 705.87 o 1 14 0 188.11 1487.53 580.14 o 2 14 0 661.84 -546.15 563.20 o 3 14 0 141.90 447.53 586.76 o 4 14 0 2489.95 1522.04 641.81 o 5 14 0 3027.40 1409.01 759.98 o 1 15 0 145.53 60.14 541.77 o 2 15 0 2327.81 3850.03 733.70 o -13 0 1 17573.68 17660.23 1419.19 o -11 0 1 50752.46 48639.68 1946.67 o -9 0 1 23665.61 22579.81 1246.65 o -7 0 1 4018.98 4652.26 672.89 o -5 0 1 1983.61 2569.60 550.36 o -3 0 1 86848.94 94530.70 1470.03 o -1 0 1 627222.81 637355.31 3432.73 o 1 0 1 509145.69 452102.63 2413.23 o 3 0 1 37979.27 37627.36 921.62 o 5 0 1 18469.33 19647.16 852.65 o 7 0 1 18367.85 21558.48 1045.27 o 9 0 1 4552.45 4741.05 715.88 o 11 0 1 1538.89 1979.40 672.91 o 13 0 1 222.84 286.05 665.39 o -14 1 1 13.78 204.10 701.33 o -13 1 1 3017.30 2367.28 795.57 o -12 1 1 3515.94 3941.09 796.75 o -11 1 1 8062.57 7545.35 991.00 o -10 1 1 9444.09 8083.35 911.58 o -9 1 1 66935.84 62335.53 2061.40 o -8 1 1 22843.80 24411.76 1177.64 o -7 1 1 6142.63 6446.48 746.13 o -6 1 1 73594.55 71928.09 1778.60 o -5 1 1 43674.38 43217.88 1272.95 o -4 1 1 37316.15 30368.61 1057.25 o -3 1 1 223807.89 246763.88 2550.21 o -2 1 1 201860.95 212619.03 2176.46 o -1 1 1 64523.71 64721.55 785.30 o 0 1 1 119974.46 112803.73 1078.97 o 1 1 1 35486.05 36879.15 581.55 o 2 1 1 46474.72 47410.35 798.11 o 3 1 1 134176.80 139129.00 1584.04 o 4 1 1 3111.48 3814.61 498.03 o 5 1 1 38934.93 38642.71 1094.00 o 6 1 1 9751.05 11540.07 769.66 o 7 1 1 917.10 882.77 557.71 o 8 1 1 12310.60 13167.10 997.99 o 9 1 1 482.31 568.88 614.83 o 10 1 1 3302.19 1365.57 825.32 o 11 1 1 66.22 1021.95 647.83 o 12 1 1 360.45 2018.57 684.86 o 13 1 1 5.28 293.13 725.95 o -13 2 1 7291.07 6923.89 955.54 o -12 2 1 44.36 473.08 623.20 o -11 2 1 7680.73 7907.33 943.27 o -10 2 1 1028.02 1082.61 662.36 o -9 2 1 25564.44 24263.26 1354.65 o -8 2 1 1277.81 2754.36 674.37 o -7 2 1 212182.00 228718.02 3563.96 o -6 2 1 5026.57 6670.93 725.90 o -5 2 1 203486.39 197085.80 2826.52 o -4 2 1 388.59 987.29 530.12 o -3 2 1 108936.45 119205.41 1707.06 o -2 2 1 16386.55 17295.70 658.99 o -1 2 1 2000.32 2221.60 399.99 o 0 2 1 517.32 412.03 463.71 o 1 2 1 20867.69 23486.74 622.90 o 2 2 1 29094.42 27505.28 712.08 o 3 2 1 1095.97 1083.62 405.94 o 4 2 1 16253.80 15440.11 682.05 o 5 2 1 15222.42 16338.44 746.74 o 6 2 1 21269.02 21327.35 927.65 o 7 2 1 741.85 1361.18 508.84 o 8 2 1 3110.33 3020.16 646.64 o 9 2 1 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1 4576.63 4998.64 854.06 o -10 5 1 9030.97 8695.20 968.62 o -9 5 1 1346.62 952.47 673.83 o -8 5 1 88.96 27.94 615.17 o -7 5 1 551.93 1210.31 590.23 o -6 5 1 146.45 501.06 575.42 o -5 5 1 32584.94 30925.68 1157.25 o -4 5 1 3043.32 3346.04 531.65 o -3 5 1 20734.69 21850.55 856.55 o -2 5 1 88919.75 85149.18 1560.41 o -1 5 1 9561.69 9632.96 711.87 o 0 5 1 182006.80 190753.95 2384.23 o 1 5 1 164577.75 172644.88 2347.59 o 2 5 1 201679.23 213163.72 2379.19 o 3 5 1 131063.32 134007.97 1889.15 o 4 5 1 14248.99 15243.57 750.76 o 5 5 1 8941.59 10519.41 696.69 o 6 5 1 120.32 -153.91 446.12 o 7 5 1 14718.25 13294.15 941.33 o 8 5 1 4060.61 3900.51 682.91 o 9 5 1 6827.15 7755.66 822.94 o 10 5 1 5439.52 5072.92 796.59 o 11 5 1 18.33 1450.49 629.82 o 12 5 1 234.23 -265.21 730.28 o 13 5 1 107.76 -702.77 702.77 o -12 6 1 2244.33 1451.29 768.78 o -11 6 1 436.55 1215.35 696.24 o -10 6 1 620.67 -268.10 644.68 o -9 6 1 2317.23 -366.93 702.10 o -8 6 1 325.38 137.83 689.13 o -7 6 1 34657.48 32618.33 1453.43 o 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