#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2211653.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_2211653_Fobs loop_ _publ_author_name 'Lee, Uk' 'Joo, Hea-Chung' _publ_section_title ; Dipotassium hexahydrogen hexamolybdoplatinate(IV) hexahydrate ; _journal_coeditor_code WM2064 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i241 _journal_page_last i243 _journal_volume 62 _journal_year 2006 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 105.770 _cell_angle_gamma 90.000 _cell_length_a 21.1780 _cell_length_b 12.9400 _cell_length_c 10.1100 _exptl_crystal_F_000 2504.00 _reflns_d_resolution_high 0.7696 _[local]_cod_data_source_file wm2064Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' AMO' _shelx_refln_list_code 4 _shelx_f_calc_maximum 935.89 _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+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -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 271313.25 244896.47 1038.19 o 4 0 0 8095.77 9884.73 372.84 o 6 0 0 1714.12 2327.20 353.13 o 8 0 0 114725.95 125840.15 1360.25 o 10 0 0 10517.26 10446.26 538.04 o 12 0 0 93205.98 96743.67 1452.70 o 14 0 0 18966.77 20519.69 780.53 o 16 0 0 2767.75 2485.58 441.04 o 18 0 0 64025.12 74375.73 1573.19 o 20 0 0 181947.38 185680.52 2615.17 o 22 0 0 12773.72 12505.20 817.67 o 24 0 0 1620.78 852.52 459.23 o 26 0 0 2029.55 2050.60 497.12 o 1 1 0 41101.95 37517.13 296.30 o 3 1 0 56463.67 52252.54 532.73 o 5 1 0 3690.14 5916.14 356.92 o 7 1 0 40066.31 44625.28 807.81 o 9 1 0 2483.96 2626.53 373.60 o 11 1 0 5232.59 5325.81 463.77 o 13 1 0 1438.61 895.72 366.77 o 15 1 0 3.37 -44.71 313.73 o 17 1 0 12238.78 12173.29 699.45 o 19 1 0 472.05 907.84 403.91 o 21 1 0 11533.05 11363.96 764.62 o 23 1 0 3040.31 2446.18 503.94 o 25 1 0 54.47 493.33 419.82 o 0 2 0 866217.31 616640.94 2801.58 o 2 2 0 264580.09 229044.06 1051.07 o 4 2 0 765.93 1129.88 239.46 o 6 2 0 17489.15 18846.47 510.76 o 8 2 0 52568.50 57635.94 916.18 o 10 2 0 65722.67 68053.40 1117.00 o 12 2 0 55733.32 58191.41 1138.21 o 14 2 0 38209.13 40506.64 1043.49 o 16 2 0 814.59 969.98 362.23 o 18 2 0 62758.04 63270.93 1480.74 o 20 2 0 102064.95 99092.86 1923.29 o 22 2 0 24707.37 22944.65 1048.04 o 24 2 0 3532.63 3726.86 560.01 o 26 2 0 3213.36 2590.16 553.95 o 1 3 0 195588.78 182328.02 1025.30 o 3 3 0 123205.05 119045.70 902.54 o 5 3 0 7410.35 7185.45 330.40 o 7 3 0 12121.01 10858.50 424.37 o 9 3 0 15145.89 14705.09 554.71 o 11 3 0 96302.00 100706.22 1416.33 o 13 3 0 31987.97 33358.32 922.24 o 15 3 0 92.05 646.40 327.37 o 17 3 0 22400.97 23265.20 918.45 o 19 3 0 2901.53 3263.84 476.66 o 21 3 0 43713.55 45610.42 1361.01 o 23 3 0 7372.71 7678.02 688.84 o 25 3 0 518.70 719.15 409.21 o 0 4 0 37689.80 40733.23 574.41 o 2 4 0 155442.39 148345.27 1066.22 o 4 4 0 10456.27 10201.49 366.02 o 6 4 0 2810.03 3581.36 304.64 o 8 4 0 55272.72 54647.18 891.93 o 10 4 0 484135.09 459356.72 2841.75 o 12 4 0 109683.02 111836.01 1555.00 o 14 4 0 10598.60 10837.29 592.60 o 16 4 0 3382.43 4032.25 461.50 o 18 4 0 16165.41 15885.75 817.67 o 20 4 0 8236.50 7256.69 680.50 o 22 4 0 34676.68 33466.69 1251.13 o 24 4 0 7608.49 7891.72 768.41 o 1 5 0 25238.51 22630.92 491.81 o 3 5 0 14731.12 12884.10 400.88 o 5 5 0 4321.47 4688.50 301.60 o 7 5 0 1475.75 2126.38 261.44 o 9 5 0 241.35 116.70 252.35 o 11 5 0 1968.88 1454.22 311.46 o 13 5 0 1608.12 2480.28 369.81 o 15 5 0 353.20 686.57 327.37 o 17 5 0 11945.79 13784.37 735.82 o 19 5 0 0.77 -196.27 344.04 o 21 5 0 5261.92 5348.55 588.05 o 23 5 0 5165.40 5453.88 624.43 o 25 5 0 984.80 181.11 444.83 o 0 6 0 10674.41 10224.23 382.69 o 2 6 0 34486.94 34309.36 647.92 o 4 6 0 28560.21 28880.49 616.85 o 6 6 0 630.16 1197.32 231.89 o 8 6 0 180718.44 170081.97 1660.34 o 10 6 0 456157.94 420508.88 2859.18 o 12 6 0 114515.67 115172.60 1642.15 o 14 6 0 503.67 175.05 328.13 o 16 6 0 5474.56 4645.31 545.62 o 18 6 0 816.65 1478.47 405.42 o 20 6 0 3567.66 3564.69 506.21 o 22 6 0 26359.31 23946.46 1120.03 o 24 6 0 9803.35 10374.27 841.16 o 1 7 0 13522.56 11504.15 442.55 o 3 7 0 7628.71 6714.86 367.53 o 5 7 0 3463.61 3288.09 328.88 o 7 7 0 19338.87 19772.50 607.76 o 9 7 0 41539.68 40658.96 909.36 o 11 7 0 88364.50 87052.95 1418.60 o 13 7 0 21288.75 21723.83 804.78 o 15 7 0 95.88 -28.04 281.90 o 17 7 0 0.23 -338.74 338.74 o 19 7 0 1334.04 375.87 415.27 o 21 7 0 10048.84 10238.63 820.70 o 23 7 0 316.13 389.51 389.51 o 0 8 0 48384.46 48168.00 866.92 o 2 8 0 39252.09 38487.86 794.93 o 4 8 0 3306.26 3286.58 308.42 o 6 8 0 9924.99 9713.47 470.59 o 8 8 0 79074.55 78828.55 1247.34 o 10 8 0 115762.35 113393.29 1614.11 o 12 8 0 82097.43 78093.49 1486.80 o 14 8 0 12727.38 14427.74 691.87 o 16 8 0 1546.62 1671.71 409.97 o 18 8 0 3187.95 2559.09 514.55 o 20 8 0 22563.46 21211.56 1051.07 o 22 8 0 13876.57 15103.70 948.01 o 1 9 0 1299.16 1710.35 285.69 o 3 9 0 5643.88 5746.39 381.93 o 5 9 0 69.22 141.71 263.71 o 7 9 0 102442.91 98934.48 1441.33 o 9 9 0 4005.07 4161.83 409.21 o 11 9 0 46125.65 46578.89 1106.39 o 13 9 0 28407.82 29288.94 945.73 o 15 9 0 2.80 -330.40 330.40 o 17 9 0 6704.87 7019.49 594.87 o 19 9 0 565.02 1117.75 407.70 o 21 9 0 11102.31 12559.01 932.09 o 0 10 0 352728.75 335617.16 2587.13 o 2 10 0 56914.36 56909.21 1082.14 o 4 10 0 699.28 234.92 280.39 o 6 10 0 30771.87 30796.21 845.70 o 8 10 0 24363.43 23456.16 788.87 o 10 10 0 2925.14 3423.74 389.51 o 12 10 0 50410.03 49106.15 1244.31 o 14 10 0 14291.34 13765.42 729.76 o 16 10 0 393.87 1110.93 359.95 o 18 10 0 14557.11 15455.32 869.20 o 20 10 0 55389.83 54706.28 1648.97 o 1 11 0 6652.86 7154.38 474.38 o 3 11 0 609.02 282.66 339.49 o 5 11 0 5460.00 5702.44 472.11 o 7 11 0 17845.33 18057.60 733.55 o 9 11 0 321.62 262.20 286.45 o 11 11 0 3616.21 2790.97 433.46 o 13 11 0 21946.17 23284.14 941.19 o 15 11 0 2969.32 3558.63 490.30 o 17 11 0 0.85 99.27 378.90 o 19 11 0 4429.54 4987.83 631.25 o 0 12 0 184480.28 185797.22 2169.58 o 2 12 0 69499.41 69104.48 1379.95 o 4 12 0 1775.69 476.66 324.34 o 6 12 0 11623.80 11465.50 621.40 o 8 12 0 3332.40 3760.96 434.22 o 10 12 0 1261.17 735.07 391.02 o 12 12 0 19694.89 19493.63 891.17 o 14 12 0 15163.64 13485.04 816.91 o 16 12 0 670.30 1060.16 413.76 o 18 12 0 29377.58 29797.42 1257.19 o 1 13 0 10535.87 9248.18 597.90 o 3 13 0 28755.96 29297.28 945.73 o 5 13 0 2627.94 2668.97 413.76 o 7 13 0 315.63 -76.54 312.21 o 9 13 0 886.48 1093.50 364.50 o 11 13 0 1489.95 1226.88 410.73 o 13 13 0 1767.96 1639.12 436.49 o 15 13 0 4686.22 4393.72 557.74 o 0 14 0 36891.90 34833.76 1079.11 o 2 14 0 39107.02 39860.24 1163.98 o 4 14 0 10276.81 10741.05 648.68 o 6 14 0 2895.78 3031.20 434.98 o 8 14 0 1460.68 1718.69 378.90 o 10 14 0 15688.73 13870.76 830.55 o 12 14 0 11601.19 12211.93 766.14 o 14 14 0 7367.48 7353.68 673.68 o 1 15 0 7508.75 8290.32 628.97 o 3 15 0 18991.77 19162.47 868.44 o 5 15 0 322.87 300.85 341.01 o 7 15 0 188.13 837.37 325.10 o 9 15 0 1456.14 1093.50 409.97 o 11 15 0 2592.89 2931.93 500.15 o 0 16 0 5697.69 6489.79 599.42 o 2 16 0 10939.21 11704.21 756.28 o 4 16 0 16282.48 16136.58 852.52 o 6 16 0 634.18 527.43 384.20 o 8 16 0 15800.14 14475.48 860.10 o -25 1 1 10346.57 12752.25 855.56 o -23 1 1 4403.34 4748.37 588.81 o -21 1 1 8518.60 8430.52 711.57 o -19 1 1 10552.06 10678.15 676.71 o -17 1 1 2732.75 2828.11 448.62 o -15 1 1 174519.92 182902.44 2170.34 o -13 1 1 417313.03 408623.56 3004.67 o -11 1 1 53748.22 56800.08 1063.19 o -9 1 1 7874.74 6827.01 434.22 o -7 1 1 40927.78 41240.95 758.56 o -5 1 1 6851.78 6631.50 356.17 o -3 1 1 45196.89 46172.71 525.91 o -1 1 1 206711.78 188898.13 809.33 o 1 1 1 46981.11 44922.34 450.13 o 3 1 1 1040.94 1877.83 287.21 o 5 1 1 609103.06 563757.94 2560.60 o 7 1 1 225151.44 213199.23 1733.09 o 9 1 1 2990.66 2194.59 375.11 o 11 1 1 1197.28 765.38 339.49 o 13 1 1 11597.44 12847.73 625.18 o 15 1 1 3346.89 4284.60 463.02 o 17 1 1 24834.53 25572.69 964.68 o 19 1 1 91594.80 95643.36 1849.79 o 21 1 1 6922.65 6514.80 647.92 o 23 1 1 1306.09 1592.14 466.05 o 25 1 1 43872.77 43790.95 1533.79 o -26 2 1 5912.02 5132.57 636.55 o -24 2 1 2869.05 1993.01 520.61 o -22 2 1 6850.72 6926.29 644.13 o -20 2 1 6727.76 6990.70 611.54 o -18 2 1 1983.69 1417.84 407.70 o -16 2 1 20070.39 19331.46 793.42 o -14 2 1 834.30 -40.92 366.77 o -12 2 1 91675.42 92688.70 1381.47 o -10 2 1 39223.09 41078.78 860.10 o -8 2 1 9.59 -85.63 273.57 o -6 2 1 65544.27 62772.30 808.57 o -4 2 1 1150.27 1117.00 245.53 o -2 2 1 189974.86 175858.67 931.34 o 0 2 1 23386.24 22433.89 344.04 o 2 2 1 343.56 695.66 208.39 o 4 2 1 164793.56 158395.20 1201.11 o 6 2 1 20020.55 20080.92 557.74 o 8 2 1 42533.05 40690.79 851.77 o 10 2 1 4654.81 4988.59 426.64 o 12 2 1 1261.96 1016.21 357.68 o 14 2 1 36446.41 37466.35 1027.58 o 16 2 1 13448.96 13865.45 744.92 o 18 2 1 22560.22 24436.75 959.37 o 20 2 1 83.06 503.18 401.63 o 22 2 1 2743.84 2986.49 493.33 o 24 2 1 5881.89 6140.45 644.13 o -25 3 1 26695.13 26963.26 1191.26 o -23 3 1 37821.19 38503.78 1320.09 o -21 3 1 15479.33 16382.86 860.10 o -19 3 1 1574.61 2443.90 444.83 o -17 3 1 10764.29 10359.87 649.43 o -15 3 1 95467.88 95819.92 1575.46 o -13 3 1 198952.53 202051.27 2102.14 o -11 3 1 36523.41 36826.01 841.91 o -9 3 1 16859.09 17816.62 559.26 o -7 3 1 2253.00 2397.68 293.27 o -5 3 1 178214.30 171473.30 1241.28 o -3 3 1 297387.94 269506.00 1386.77 o -1 3 1 89858.20 94620.33 764.62 o 1 3 1 1461.59 1346.61 214.46 o 3 3 1 26996.20 27048.89 494.84 o 5 3 1 121244.74 112448.31 1081.38 o 7 3 1 139022.83 140333.05 1374.65 o 9 3 1 58944.53 57266.13 1011.66 o 11 3 1 2178.97 2453.75 362.99 o 13 3 1 1492.50 1686.86 348.59 o 15 3 1 30214.28 31941.24 984.38 o 17 3 1 69271.37 69949.42 1526.97 o 19 3 1 18067.63 18289.49 888.90 o 21 3 1 446.34 -378.14 378.14 o 23 3 1 2996.68 2105.17 523.64 o 25 3 1 14830.15 14054.90 923.76 o -26 4 1 2454.64 3172.15 592.60 o -24 4 1 1450.44 1336.00 481.20 o -22 4 1 1881.48 2571.97 503.94 o -20 4 1 2442.84 2711.41 461.50 o -18 4 1 283.03 -90.18 325.10 o -16 4 1 57752.79 56047.59 1279.92 o -14 4 1 1963.02 2039.24 366.77 o -12 4 1 100232.26 104840.77 1458.76 o -10 4 1 25641.82 25818.22 695.66 o -8 4 1 133.53 -244.01 244.01 o -6 4 1 21244.78 20446.18 522.88 o -4 4 1 19706.69 22342.95 493.33 o -2 4 1 62553.05 58523.32 703.24 o 0 4 1 19126.48 20506.80 441.04 o 2 4 1 233.21 424.37 212.94 o 4 4 1 49287.63 45028.43 707.03 o 6 4 1 0.47 366.77 219.76 o 8 4 1 142682.92 138657.56 1491.35 o 10 4 1 44293.80 46103.75 962.41 o 12 4 1 660.95 612.30 325.10 o 14 4 1 1855.43 2413.59 401.63 o 16 4 1 8778.58 9298.95 672.93 o 18 4 1 24105.16 23865.37 976.80 o 20 4 1 2200.33 1035.15 466.80 o 22 4 1 705.72 -192.48 424.37 o 24 4 1 3429.51 2774.30 573.65 o -25 5 1 35814.57 32814.98 1352.67 o -23 5 1 117942.23 117937.06 2303.71 o -21 5 1 20379.95 19114.73 934.37 o -19 5 1 1172.75 2061.97 420.58 o -17 5 1 26586.30 28888.06 982.87 o -15 5 1 23044.62 23250.04 854.80 o -13 5 1 12100.55 12712.84 601.69 o -11 5 1 32686.21 33854.68 832.82 o -9 5 1 21228.62 21238.08 625.18 o -7 5 1 3232.05 3947.38 325.10 o -5 5 1 172976.80 163137.52 1358.73 o -3 5 1 194401.95 166439.25 1293.56 o -1 5 1 39984.65 38402.23 628.22 o 1 5 1 2276.69 2565.15 258.41 o 3 5 1 31336.38 31172.07 597.15 o 5 5 1 774.61 1272.34 237.19 o 7 5 1 44484.73 45340.64 835.09 o 9 5 1 167923.78 166772.67 1715.66 o 11 5 1 48450.06 50207.99 1057.13 o 13 5 1 835.71 783.56 347.07 o 15 5 1 165875.97 164335.59 2246.87 o 17 5 1 118850.94 110813.75 2003.62 o 19 5 1 2843.72 2459.82 474.38 o 21 5 1 700.66 792.66 413.76 o 23 5 1 4623.43 4771.10 597.90 o -24 6 1 10.03 -308.42 399.36 o -22 6 1 4891.49 4596.81 581.23 o -20 6 1 1858.07 2371.91 445.59 o -18 6 1 9229.47 9990.83 660.04 o -16 6 1 1.53 607.76 304.64 o -14 6 1 981.95 1237.49 335.71 o -12 6 1 12748.90 12578.71 588.81 o -10 6 1 7255.69 7192.27 442.55 o -8 6 1 10615.62 10281.06 482.72 o -6 6 1 28092.53 27192.11 640.34 o -4 6 1 6526.30 6001.77 346.31 o -2 6 1 1121.00 1229.91 225.07 o 0 6 1 6758.86 5998.74 347.07 o 2 6 1 14247.94 13523.69 450.13 o 4 6 1 24.72 -118.22 203.09 o 6 6 1 985.18 1081.38 245.53 o 8 6 1 1033.77 1607.29 277.35 o 10 6 1 8858.63 8712.42 491.81 o 12 6 1 10890.43 9057.22 554.71 o 14 6 1 11456.53 11630.70 658.53 o 16 6 1 834.19 1922.54 403.15 o 18 6 1 1002.12 961.65 427.40 o 20 6 1 137.57 550.16 397.84 o 22 6 1 1012.75 1199.60 444.07 o 24 6 1 142.03 1173.83 432.70 o -23 7 1 73108.57 68295.14 1823.27 o -21 7 1 26018.46 23215.18 1045.76 o -19 7 1 917.07 1545.91 422.85 o -17 7 1 9904.92 10488.70 658.53 o -15 7 1 22740.66 21973.15 845.70 o -13 7 1 7645.13 7415.07 549.40 o -11 7 1 25835.45 26568.44 785.84 o -9 7 1 12940.43 12655.25 557.74 o -7 7 1 6339.05 5948.72 381.93 o -5 7 1 173239.00 165914.08 1558.79 o -3 7 1 450639.78 423839.38 2441.63 o -1 7 1 68896.80 68467.92 960.13 o 1 7 1 805.51 735.07 225.82 o 3 7 1 2888.60 3304.00 310.70 o 5 7 1 853.32 932.85 247.04 o 7 7 1 21320.79 22139.11 649.43 o 9 7 1 59592.89 57901.17 1098.05 o 11 7 1 19739.74 22095.91 753.25 o 13 7 1 23025.86 21333.56 826.00 o 15 7 1 95279.61 93481.35 1766.43 o 17 7 1 86343.40 84432.48 1802.80 o 19 7 1 4276.11 4436.91 537.28 o 21 7 1 363.12 188.69 390.27 o 23 7 1 300.28 -391.78 391.78 o -22 8 1 19257.35 20660.64 1012.42 o -20 8 1 9619.55 11194.97 778.26 o -18 8 1 1308.38 710.82 394.06 o -16 8 1 2674.07 2240.05 427.40 o -14 8 1 1723.54 1808.87 364.50 o -12 8 1 20530.31 22054.23 793.42 o -10 8 1 142.63 372.08 270.53 o -8 8 1 801.51 563.80 264.47 o -6 8 1 66142.86 64913.08 1086.68 o -4 8 1 57.36 482.72 233.40 o -2 8 1 192761.30 182829.67 1711.87 o 0 8 1 16240.66 16763.28 541.83 o 2 8 1 734.99 1133.67 244.77 o 4 8 1 15057.22 14425.47 540.31 o 6 8 1 731.87 602.45 283.42 o 8 8 1 30694.63 29660.26 812.36 o 10 8 1 7699.27 6902.04 478.17 o 12 8 1 316.69 723.70 344.80 o 14 8 1 25384.16 24597.41 893.45 o 16 8 1 5.58 444.83 343.28 o 18 8 1 19390.66 21385.85 976.05 o 20 8 1 1215.49 1613.35 381.93 o 22 8 1 8.96 1324.63 413.00 o -21 9 1 20522.82 19754.31 1039.70 o -19 9 1 7040.19 6697.43 688.08 o -17 9 1 456.01 1390.56 395.57 o -15 9 1 31216.13 32199.65 1042.73 o -13 9 1 61597.39 61891.74 1348.12 o -11 9 1 18540.48 18148.54 724.46 o -9 9 1 930.22 1144.28 296.30 o -7 9 1 53847.45 52324.52 1079.86 o -5 9 1 37021.96 37489.84 869.95 o -3 9 1 138003.42 135890.83 1564.86 o -1 9 1 96737.27 94233.85 1288.26 o 1 9 1 6277.06 5877.49 387.24 o 3 9 1 2086.00 1965.73 294.03 o 5 9 1 95933.95 93300.24 1359.49 o 7 9 1 65388.61 64526.61 1184.44 o 9 9 1 4286.50 4704.42 427.40 o 11 9 1 2643.79 1935.42 372.84 o 13 9 1 29093.28 28238.63 969.98 o 15 9 1 17242.22 17640.05 845.70 o 17 9 1 42072.07 41922.97 1374.65 o 19 9 1 22189.89 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