#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/15/2201518.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_2201518_Fobs loop_ _publ_author_name 'Lee, Uk' _publ_section_title ; Pentapotassium trihydrogenhexatungstoplatinate(IV) hexahydrate, K~5~[H~3~PtW~6~O~24~]·6H~2~O ; _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i130 _journal_page_last i132 _journal_volume 58 _journal_year 2002 _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90.000 _cell_angle_beta 101.429 _cell_angle_gamma 90.000 _cell_length_a 11.4491 _cell_length_b 19.8290 _cell_length_c 13.6884 _exptl_crystal_F_000 3488.00 _reflns_d_resolution_high 0.7692 _[local]_cod_data_source_file mg6017Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' KPtW6 POM' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1774.23 _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' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x, -y, z' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, 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 2 0 0 3147903.75 3050677.25 13233.51 o 4 0 0 1510298.50 1535886.13 6049.85 o 6 0 0 418530.28 438914.63 3248.17 o 8 0 0 160668.11 168296.23 2351.12 o 10 0 0 4721.52 5224.83 669.53 o 12 0 0 6651.58 9172.21 944.93 o 14 0 0 23114.50 22850.46 1405.47 o 1 1 0 46289.82 51454.46 483.41 o 3 1 0 369834.50 400968.06 2240.90 o 5 1 0 349291.84 354575.13 2650.51 o 7 1 0 386697.72 398235.41 3444.48 o 9 1 0 346134.59 379390.56 3892.22 o 11 1 0 154974.50 167887.78 3005.53 o 13 1 0 30493.20 35147.14 1640.09 o 0 2 0 338167.53 368222.38 1764.60 o 2 2 0 374761.84 368406.72 1926.96 o 4 2 0 60760.02 56991.54 974.97 o 6 2 0 23589.34 25458.71 822.40 o 8 2 0 7656.66 5898.10 595.32 o 10 2 0 22189.92 24306.89 1128.65 o 12 2 0 24466.16 26864.04 1386.54 o 14 2 0 9993.83 9879.88 1073.09 o 1 3 0 5587.39 3379.32 299.28 o 3 3 0 1015.33 916.15 312.48 o 5 3 0 551.75 1038.39 335.48 o 7 3 0 11213.39 8889.00 585.13 o 9 3 0 17343.44 15637.32 889.70 o 11 3 0 34372.18 33833.00 1368.93 o 13 3 0 25101.03 21222.78 1295.61 o 0 4 0 149074.03 170415.03 1495.81 o 2 4 0 442896.22 469288.94 2481.23 o 4 4 0 54761.52 54108.62 991.46 o 6 4 0 130546.45 133954.80 1818.99 o 8 4 0 44752.00 31745.14 1078.02 o 10 4 0 37306.04 41564.63 1444.83 o 12 4 0 7844.04 9143.18 897.09 o 14 4 0 5982.39 4622.63 861.30 o 1 5 0 1787.31 4936.00 426.28 o 3 5 0 351.54 1352.54 333.70 o 5 5 0 5774.13 5781.13 469.17 o 7 5 0 1795.32 2394.96 413.66 o 9 5 0 7815.55 7720.24 692.96 o 11 5 0 25.58 -537.76 537.76 o 13 5 0 252.10 770.28 692.19 o 0 6 0 52649.37 61302.82 1128.13 o 2 6 0 20658.30 15440.26 561.14 o 4 6 0 25844.33 26136.81 759.22 o 6 6 0 8223.88 11975.92 645.28 o 8 6 0 20570.48 21084.91 949.02 o 10 6 0 510.57 1542.39 546.67 o 12 6 0 394.60 115.37 614.10 o 14 6 0 790.72 1315.22 768.54 o 1 7 0 13444.33 10470.46 547.23 o 3 7 0 1135.99 926.72 333.76 o 5 7 0 1069.56 355.04 353.26 o 7 7 0 21805.56 25308.89 974.38 o 9 7 0 123.48 79.87 433.06 o 11 7 0 117.43 465.00 521.79 o 13 7 0 565.15 -133.12 578.62 o 0 8 0 81901.98 79296.02 1446.27 o 2 8 0 208495.53 208084.73 2032.60 o 4 8 0 158170.20 171309.19 2014.04 o 6 8 0 188580.59 188397.58 2424.62 o 8 8 0 88754.81 60089.58 1587.79 o 10 8 0 49218.95 46331.74 1609.10 o 12 8 0 13473.77 14047.31 1169.57 o 1 9 0 2980.52 4971.42 484.89 o 3 9 0 6069.33 6179.40 542.05 o 5 9 0 2086.76 6700.68 575.26 o 7 9 0 234.92 768.51 324.80 o 9 9 0 5132.58 6478.89 706.85 o 11 9 0 8481.22 11588.45 1021.52 o 13 9 0 33391.68 36375.03 1797.02 o 0 10 0 270265.19 274990.47 2983.35 o 2 10 0 116542.41 120136.58 1738.42 o 4 10 0 44541.80 48223.14 1177.88 o 6 10 0 13222.21 13277.66 766.60 o 8 10 0 12238.42 14702.80 910.26 o 10 10 0 25659.16 27535.19 1303.23 o 12 10 0 34955.46 32416.99 1637.24 o 1 11 0 24725.77 32409.90 1027.64 o 3 11 0 230945.08 230450.61 2629.35 o 5 11 0 368359.31 385393.66 3690.16 o 7 11 0 328354.56 356239.44 3863.68 o 9 11 0 215920.95 159361.61 2953.57 o 11 11 0 66799.53 71362.98 2281.73 o 13 11 0 26265.90 25342.66 1722.61 o 0 12 0 1947908.75 2151097.75 10610.30 o 2 12 0 1548607.00 1647187.75 8049.88 o 4 12 0 858954.88 899180.44 5786.23 o 6 12 0 380234.09 389832.78 4025.73 o 8 12 0 88135.94 60534.98 1772.10 o 10 12 0 504.43 976.19 598.14 o 12 12 0 6111.27 6229.98 974.99 o 1 13 0 10757.70 13731.72 835.78 o 3 13 0 168676.27 179037.48 2495.10 o 5 13 0 144587.88 143101.77 2425.15 o 7 13 0 185477.31 146807.77 2636.06 o 9 13 0 142608.53 154680.06 3016.66 o 11 13 0 88413.48 98131.63 2657.34 o 0 14 0 345528.66 380398.81 4253.14 o 2 14 0 104050.88 112188.73 2043.57 o 4 14 0 15846.77 17757.39 937.60 o 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174.70 -287.52 624.74 o 0 20 0 60804.81 56661.36 2152.94 o 2 20 0 50191.55 52924.23 1910.69 o 4 20 0 45099.43 45105.46 1780.67 o 6 20 0 35707.70 25709.03 1391.65 o 8 20 0 44255.49 40913.98 1964.93 o 1 21 0 107.91 161.51 688.63 o 3 21 0 4715.65 5655.79 841.71 o 5 21 0 1145.66 1759.04 649.65 o 7 21 0 212.44 -521.80 521.80 o 0 22 0 76161.05 81427.50 2735.49 o 2 22 0 28298.74 26550.61 1573.95 o 4 22 0 8084.10 8668.68 1001.87 o 6 22 0 768.52 667.37 694.00 o 1 23 0 8194.98 6885.30 1144.00 o 3 23 0 43388.15 40172.08 1943.61 o 5 23 0 86068.33 90288.38 2840.15 o 0 24 0 379952.31 400595.09 6576.06 o 2 24 0 317086.28 306536.19 5339.55 o 4 24 0 173229.64 172882.72 3945.25 o 1 25 0 2997.11 3062.46 1132.66 o 3 25 0 26400.99 26980.04 1909.48 o -14 0 1 213677.97 221068.42 4231.11 o -12 0 1 335447.03 359362.88 4569.05 o -10 0 1 433342.97 466319.03 4683.79 o -8 0 1 188586.91 187242.94 2443.29 o -6 0 1 48524.14 56471.75 1144.72 o -4 0 1 6097.62 8659.21 464.17 o -2 0 1 214990.72 179922.00 2059.64 o 0 0 1 521599.16 455246.16 5046.37 o 2 0 1 556181.25 554959.56 2678.54 o 4 0 1 189860.92 182306.75 1768.24 o 6 0 1 15757.37 16472.43 712.32 o 8 0 1 14238.27 13034.52 770.29 o 10 0 1 7423.62 7475.84 769.26 o 12 0 1 7803.24 8922.87 927.28 o 14 0 1 26002.45 24824.91 1566.02 o -13 1 1 13642.15 16413.35 1231.80 o -11 1 1 105657.23 114413.37 2473.29 o -9 1 1 315302.38 330103.88 3537.69 o -7 1 1 586331.13 579400.50 4160.83 o -5 1 1 392648.66 392103.84 2979.32 o -3 1 1 1118154.25 1107020.88 4490.97 o -1 1 1 800734.63 703945.63 3063.12 o 1 1 1 303295.97 312978.38 1665.45 o 3 1 1 71229.98 68485.70 1008.91 o 5 1 1 221.86 268.01 356.75 o 7 1 1 14184.21 11413.57 617.48 o 9 1 1 6930.48 7911.28 742.63 o 11 1 1 7180.72 6670.32 785.16 o 13 1 1 1190.86 51.48 612.38 o -14 2 1 13509.57 13217.84 1233.45 o -12 2 1 57698.06 67228.26 1992.44 o -10 2 1 66057.15 67463.60 1771.35 o -8 2 1 50851.12 54324.84 1337.22 o -6 2 1 34230.48 33246.11 915.60 o -4 2 1 1128.10 557.49 339.11 o -2 2 1 19.51 578.59 287.52 o 0 2 1 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