#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/18/2211820.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_2211820_Fobs loop_ _publ_author_name 'Lee, Uk' 'Joo, Hea-Chung' _publ_section_title ; Hemiheptapotassium heminonahydrogen \a-hexamolybdoplatinate(IV) 5.5-hydrate ; _journal_coeditor_code HB2204 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i11 _journal_page_last i13 _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 68.720 _cell_angle_beta 69.330 _cell_angle_gamma 83.634 _cell_length_a 10.1040 _cell_length_b 12.2140 _cell_length_c 12.4190 _exptl_crystal_F_000 1296.00 _reflns_d_resolution_high 0.7697 _[local]_cod_data_source_file hb2204Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' KPTMO6 POM' _shelx_refln_list_code 4 _shelx_f_calc_maximum 576.08 _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 20661.69 21869.86 141.48 o 2 0 0 108.00 123.73 65.67 o 3 0 0 34986.54 35756.90 312.12 o 4 0 0 2570.03 2727.96 121.96 o 5 0 0 1106.98 1311.62 105.98 o 6 0 0 42.38 -27.38 73.78 o 7 0 0 2487.98 2612.34 154.67 o 8 0 0 17837.07 17803.39 393.26 o 9 0 0 4131.20 4375.04 224.65 o 10 0 0 1502.18 1204.12 165.82 o 11 0 0 3992.38 4017.02 257.61 o 12 0 0 9652.72 8968.64 388.19 o -12 1 0 2919.97 3518.29 242.65 o -11 1 0 3304.13 3199.57 238.09 o -10 1 0 123.17 163.54 104.21 o -9 1 0 14171.29 13555.90 362.58 o -8 1 0 18.58 -44.37 80.63 o -7 1 0 264.26 411.26 88.24 o -6 1 0 509.83 654.42 87.22 o -5 1 0 4286.72 4701.10 148.58 o -4 1 0 2988.33 2846.12 114.86 o -3 1 0 57794.35 57059.56 374.24 o -2 1 0 1793.27 2016.50 78.60 o -1 1 0 10661.52 9849.22 99.39 o 0 1 0 10760.51 11088.84 102.18 o 1 1 0 38049.52 34001.05 374.50 o 2 1 0 17051.66 18364.76 203.10 o 3 1 0 478.22 640.47 90.77 o 4 1 0 965.80 733.53 95.08 o 5 1 0 3351.81 3365.65 152.64 o 6 1 0 3140.28 3190.44 162.02 o 7 1 0 283.84 206.39 98.38 o 8 1 0 4351.38 4589.29 218.31 o 9 1 0 43695.46 44174.31 681.55 o 10 1 0 159.53 273.58 126.02 o 11 1 0 41.23 -17.50 110.80 o 12 1 0 3715.57 3172.44 267.50 o -12 2 0 19864.86 21041.51 540.83 o -11 2 0 4885.56 4563.93 256.59 o -10 2 0 882.46 932.82 127.28 o -9 2 0 2776.61 2895.31 179.01 o -8 2 0 4008.02 4004.34 184.59 o -7 2 0 177.21 127.54 78.09 o -6 2 0 240.25 387.17 75.05 o -5 2 0 1281.07 1563.15 98.38 o -4 2 0 18899.82 21421.33 263.44 o -3 2 0 77533.63 77478.60 436.87 o -2 2 0 9042.25 8567.77 134.13 o -1 2 0 14245.70 14374.87 150.86 o 0 2 0 166726.44 120990.38 840.27 o 1 2 0 3404.69 3527.16 96.35 o 2 2 0 625.85 414.05 78.35 o 3 2 0 337.93 549.70 83.93 o 4 2 0 1401.83 1673.70 109.53 o 5 2 0 2370.19 2164.83 135.90 o 6 2 0 10541.30 11307.91 283.22 o 7 2 0 964.65 857.01 119.93 o 8 2 0 13720.74 12200.92 357.25 o 9 2 0 7.43 -106.75 106.75 o 10 2 0 91.30 -100.66 100.66 o 11 2 0 183.45 41.33 126.52 o 12 2 0 860.88 985.05 180.53 o -12 3 0 30.09 71.25 115.37 o -11 3 0 6023.12 5637.73 280.68 o -10 3 0 105.92 283.72 113.84 o -9 3 0 49.72 180.02 88.24 o -8 3 0 2054.18 2528.67 149.85 o -7 3 0 2337.38 2534.00 147.57 o -6 3 0 8044.38 9330.71 223.38 o -5 3 0 1431.13 1705.64 102.18 o -4 3 0 14940.32 16304.15 238.85 o -3 3 0 306515.94 253526.50 942.20 o -2 3 0 37775.27 37345.91 295.13 o -1 3 0 2931.67 2989.38 99.65 o 0 3 0 21742.51 21883.55 234.79 o 1 3 0 4686.02 5156.99 126.52 o 2 3 0 1468.48 1580.64 92.55 o 3 3 0 1077.88 970.34 88.24 o 4 3 0 359.51 369.68 81.14 o 5 3 0 26334.07 26328.83 391.48 o 6 3 0 24786.88 25595.81 434.33 o 7 3 0 20.01 175.71 93.05 o 8 3 0 5009.55 5082.45 238.59 o 9 3 0 30215.77 31100.67 579.62 o 10 3 0 362.96 723.89 129.31 o 11 3 0 30.23 -87.48 118.16 o -11 4 0 677.76 575.56 134.64 o -10 4 0 2086.00 2141.75 181.04 o -9 4 0 316.83 188.64 99.14 o -8 4 0 206.25 336.72 85.70 o -7 4 0 714.15 691.69 98.12 o -6 4 0 3919.31 4069.00 163.79 o -5 4 0 1499.06 1048.44 100.66 o -4 4 0 16980.26 18765.12 270.29 o -3 4 0 7823.51 8865.95 178.25 o -2 4 0 6943.32 6642.81 149.34 o -1 4 0 798.28 878.56 82.91 o 0 4 0 5365.76 5345.38 137.17 o 1 4 0 1655.95 1081.40 92.80 o 2 4 0 195.15 76.57 72.52 o 3 4 0 21920.53 20268.68 331.39 o 4 4 0 3353.05 3549.47 144.52 o 5 4 0 809.75 996.71 104.72 o 6 4 0 55585.02 55082.62 642.50 o 7 4 0 365.99 190.16 107.25 o 8 4 0 896.69 735.55 134.38 o 9 4 0 2666.52 2596.37 212.22 o 10 4 0 781.90 798.69 152.89 o 11 4 0 80.07 293.36 134.13 o -11 5 0 3263.13 2908.75 228.70 o -10 5 0 414.99 517.50 113.34 o -9 5 0 477.86 245.44 105.98 o -8 5 0 1056.71 1036.01 119.42 o -7 5 0 3163.04 3164.58 164.30 o -6 5 0 48431.55 51357.95 551.48 o -5 5 0 679.65 648.84 84.18 o -4 5 0 12222.89 13596.97 248.48 o -3 5 0 239859.91 206289.28 1314.92 o -2 5 0 1398.12 2017.51 102.18 o -1 5 0 267.49 159.74 68.71 o 0 5 0 14483.33 15313.01 244.93 o 1 5 0 693.82 646.30 78.60 o 2 5 0 2476.09 2228.21 113.84 o 3 5 0 3881.00 3589.03 154.67 o 4 5 0 202.75 327.34 79.36 o 5 5 0 26639.38 27170.87 433.83 o 6 5 0 12200.89 12085.55 309.84 o 7 5 0 756.99 866.13 126.02 o 8 5 0 299.60 271.05 125.76 o 9 5 0 4311.05 4269.05 243.16 o 10 5 0 177.02 371.71 145.54 o 11 5 0 618.82 570.24 159.23 o -11 6 0 740.73 1062.64 148.33 o -10 6 0 1495.15 1549.96 164.81 o -9 6 0 2050.75 2147.33 173.94 o -8 6 0 2369.93 2462.50 163.29 o -7 6 0 330.61 337.22 91.53 o -6 6 0 34912.54 37787.34 492.90 o -5 6 0 7525.15 7197.32 219.07 o -4 6 0 427.40 557.56 83.67 o -3 6 0 1684.41 1929.78 115.87 o -2 6 0 9568.42 9972.19 213.74 o -1 6 0 4670.47 4624.03 154.92 o 0 6 0 607.99 714.26 82.66 o 1 6 0 2594.32 2867.16 132.10 o 2 6 0 18719.80 17196.90 318.97 o 3 6 0 38747.27 36755.13 505.33 o 4 6 0 309.18 31.19 83.17 o 5 6 0 3519.35 3440.70 178.50 o 6 6 0 32326.79 33626.30 535.76 o 7 6 0 199.62 242.90 100.15 o 8 6 0 616.32 368.41 131.09 o 9 6 0 2717.33 2457.93 222.87 o 10 6 0 558.21 669.63 151.88 o 11 6 0 394.17 521.81 151.12 o -10 7 0 99.23 194.98 115.37 o -9 7 0 239.69 -10.14 104.46 o -8 7 0 1581.82 1785.77 158.98 o -7 7 0 6695.94 6267.29 243.41 o -6 7 0 21410.84 23597.31 411.01 o -5 7 0 3763.44 4100.19 173.43 o -4 7 0 519.32 596.10 90.77 o -3 7 0 7495.38 7549.25 222.62 o -2 7 0 19.42 -55.02 69.47 o -1 7 0 7645.80 7492.20 200.31 o 0 7 0 7493.59 7907.02 204.62 o 1 7 0 173.71 -0.76 72.77 o 2 7 0 272.01 265.22 80.63 o 3 7 0 22434.35 21334.11 402.39 o 4 7 0 3602.13 3117.93 171.40 o 5 7 0 1290.50 1550.72 143.00 o 6 7 0 100.59 192.45 99.39 o 7 7 0 670.03 501.53 127.28 o 8 7 0 202.74 80.12 115.11 o 9 7 0 124.68 -121.20 121.20 o 10 7 0 212.97 -61.61 130.83 o -10 8 0 1415.73 1190.17 158.22 o -9 8 0 15890.53 17344.98 445.74 o -8 8 0 158.68 132.10 93.56 o -7 8 0 6252.91 6423.23 248.99 o -6 8 0 37990.83 41817.55 576.07 o -5 8 0 11394.73 11173.02 302.99 o -4 8 0 5932.06 6267.04 215.52 o -3 8 0 4361.76 4578.39 181.54 o -2 8 0 1323.57 1157.21 112.32 o -1 8 0 304.62 229.46 79.62 o 0 8 0 1054.78 948.28 107.00 o 1 8 0 707.57 521.81 96.10 o 2 8 0 20794.23 19484.70 386.16 o 3 8 0 31871.21 30310.10 516.99 o 4 8 0 174.91 160.75 90.52 o 5 8 0 594.67 264.20 105.22 o 6 8 0 11925.77 12142.09 357.00 o 7 8 0 82.09 -15.97 100.66 o 8 8 0 1155.78 1062.89 162.53 o 9 8 0 3061.61 2300.48 227.69 o 10 8 0 127.91 80.38 137.93 o -9 9 0 993.96 599.90 142.24 o -8 9 0 3544.11 3837.25 220.84 o -7 9 0 19.41 256.09 92.55 o -6 9 0 720.55 904.42 121.45 o -5 9 0 3897.23 3746.23 193.21 o -4 9 0 293.41 148.83 85.95 o -3 9 0 615.99 788.29 106.75 o -2 9 0 6158.42 6319.02 218.31 o -1 9 0 7081.89 7140.78 228.96 o 0 9 0 48715.55 48954.78 586.97 o 1 9 0 3886.70 3811.90 177.99 o 2 9 0 472.38 610.81 103.70 o 3 9 0 18971.44 18872.37 429.01 o 4 9 0 334.93 224.14 113.08 o 5 9 0 456.80 335.45 118.16 o 6 9 0 3621.77 3688.93 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