#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:41:39 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181081 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/61/2216158.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_2216158_Fobs loop_ _publ_author_name 'Armand, P.' 'Granier, D.' 'van der Lee, A.' _publ_section_title ; Rb~3~[PMo~12~O~40~], a compound containing Keggin anions ; _journal_coeditor_code WM2153 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i191 _journal_volume 63 _journal_year 2007 _space_group_IT_number 224 _symmetry_space_group_name_Hall '-P 4bc 2bc 3' _symmetry_space_group_name_H-M 'P n -3 m :2' _audit_creation_date 07-10-05 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 11.67521(8) _cell_length_b 11.67521(8) _cell_length_c 11.67521(8) _cod_data_source_file wm2153Isup2.hkl _cod_data_source_block I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma _refln_observed_status 1 1 1 2783.85 2325.81 56.82 o 0 0 2 4064.75 3600.69 65.97 o 1 1 2 10082.70 9515.38 118.14 o 0 2 2 8252.99 7822.81 116.33 o 1 2 2 517.22 464.24 58.26 o 2 2 2 223826.70 434345.19 1482.96 o 0 1 3 13920.15 13776.97 148.64 o 1 1 3 82.65 30.36 52.36 o 1 2 3 433.53 365.00 61.19 o 2 2 3 95.77 82.60 57.84 o 0 3 3 9685.50 9887.38 149.58 o 1 3 3 476.66 511.37 65.14 o 2 3 3 37813.56 40154.62 303.68 o 3 3 3 17389.44 16532.03 222.05 o 0 0 4 153401.41 254384.59 770.91 o 1 1 4 6346.52 5810.40 120.53 o 0 2 4 421.75 260.93 61.84 o 1 2 4 185.71 146.40 58.72 o 2 2 4 9665.48 8873.66 161.69 o 1 3 4 18752.18 17857.31 225.80 o 2 3 4 2897.35 2456.82 106.68 o 3 3 4 1363.70 1416.38 91.51 o 0 4 4 106037.28 125029.23 546.98 o 1 4 4 5624.71 5342.03 138.79 o 2 4 4 2746.18 2346.64 115.32 o 3 4 4 6868.86 6283.72 163.92 o 4 4 4 107100.53 119975.07 610.52 o 0 1 5 8211.08 8819.24 144.33 o 1 1 5 84.63 105.63 56.55 o 1 2 5 9689.34 9817.50 167.69 o 2 2 5 475.97 421.91 72.88 o 0 3 5 3765.34 3449.69 122.67 o 1 3 5 453.54 469.55 75.36 o 2 3 5 32184.07 32004.04 318.50 o 3 3 5 591.81 545.59 81.64 o 1 4 5 14378.34 14165.01 224.19 o 2 4 5 360.66 381.87 80.86 o 3 4 5 5200.70 4903.82 156.01 o 4 4 5 3.33 1.46 96.51 o 0 5 5 129363.11 152632.81 681.65 o 1 5 5 2768.82 2678.21 122.43 o 2 5 5 12257.86 12163.39 224.86 o 3 5 5 1358.39 1360.25 109.99 o 4 5 5 53046.21 54193.38 480.58 o 5 5 5 1122.66 1102.88 122.43 o 0 0 6 18540.66 19375.34 228.95 o 1 1 6 7007.45 6427.44 151.23 o 0 2 6 2064.80 1932.16 103.47 o 1 2 6 1191.95 1134.36 87.84 o 2 2 6 71363.49 77072.86 481.42 o 1 3 6 209.82 168.49 76.81 o 2 3 6 407.06 385.70 83.94 o 3 3 6 13933.33 13500.60 236.95 o 0 4 6 25947.33 24992.08 317.22 o 1 4 6 226.31 221.93 83.55 o 2 4 6 257.47 232.15 88.82 o 3 4 6 191.32 192.00 92.58 o 4 4 6 11162.62 10557.93 232.60 o 1 5 6 309.12 310.83 93.47 o 2 5 6 1083.98 1038.77 111.70 o 3 5 6 10747.71 10132.94 236.22 o 4 5 6 6.90 1.48 195.59 o 5 5 6 365.92 399.38 113.33 o 0 6 6 12650.61 12641.71 248.68 o 1 6 6 16347.22 15961.42 282.96 o 2 6 6 21938.22 21117.96 330.87 o 3 6 6 1165.58 1128.55 126.83 o 4 6 6 1959.02 1902.87 144.98 o 5 6 6 1346.64 1233.66 142.06 o 6 6 6 3561.38 3307.95 191.25 o 0 1 7 26875.61 27074.21 302.25 o 1 1 7 1829.55 1827.11 104.21 o 1 2 7 1754.02 1712.77 106.25 o 2 2 7 1086.74 1017.08 101.96 o 0 3 7 19820.69 19674.96 283.38 o 1 3 7 722.41 723.74 96.70 o 2 3 7 58536.14 61032.93 488.90 o 3 3 7 936.87 930.79 105.76 o 1 4 7 14558.42 14163.51 260.59 o 2 4 7 21.32 22.98 356.02 o 3 4 7 4048.76 4031.83 165.11 o 4 4 7 149.46 140.34 107.17 o 0 5 7 27294.47 26563.23 365.98 o 1 5 7 967.86 954.81 119.52 o 2 5 7 9474.79 8841.12 232.91 o 3 5 7 87.45 96.20 264.82 o 4 5 7 11329.40 10600.56 264.41 o 5 5 7 316.20 333.09 128.93 o 1 6 7 45.19 22.61 2044.74 o 2 6 7 136.05 139.10 118.34 o 3 6 7 14183.67 13587.52 300.03 o 4 6 7 745.24 760.71 134.07 o 5 6 7 12718.80 12362.86 307.18 o 6 6 7 635.50 662.02 146.61 o 0 7 7 3829.20 3614.11 184.09 o 1 7 7 1973.23 1963.23 155.77 o 2 7 7 71603.95 72929.29 654.10 o 3 7 7 135.20 131.97 129.72 o 4 7 7 2511.18 2536.17 171.96 o 5 7 7 44.58 61.09 149.90 o 6 7 7 15437.83 14666.77 360.45 o 7 7 7 30.28 10.42 154.46 o 0 0 8 33641.51 33505.39 355.50 o 1 1 8 124.15 86.73 86.77 o 0 2 8 2780.09 2572.71 133.84 o 1 2 8 1409.49 1355.44 112.56 o 2 2 8 54012.57 55511.68 478.62 o 1 3 8 747.50 681.13 108.32 o 2 3 8 1398.62 1420.91 123.83 o 3 3 8 159.12 101.02 654.18 o 0 4 8 10070.78 9537.98 236.22 o 1 4 8 4133.15 3924.85 170.11 o 2 4 8 2070.21 2034.61 143.68 o 3 4 8 2506.81 2381.18 155.92 o 4 4 8 5621.64 5287.43 206.98 o 1 5 8 46.56 15.59 120.01 o 2 5 8 210.79 207.62 119.23 o 3 5 8 5052.84 4776.76 202.06 o 4 5 8 -6.20 2.46 163.23 o 5 5 8 6441.31 6247.45 231.20 o 0 6 8 502.18 490.76 128.72 o 1 6 8 54.47 81.27 131.55 o 2 6 8 13579.07 12888.58 301.31 o 3 6 8 1050.01 1032.00 141.29 o 4 6 8 2304.22 2286.85 168.38 o 5 6 8 546.40 565.51 144.93 o 6 6 8 5227.71 5057.91 236.71 o 1 7 8 83.78 50.03 151.66 o 2 7 8 608.38 624.82 138.67 o 3 7 8 3849.49 3647.66 198.25 o 4 7 8 418.61 437.76 150.49 o 5 7 8 8479.67 8064.84 281.86 o 6 7 8 272.77 315.43 168.69 o 7 7 8 10021.78 9744.38 326.75 o 0 8 8 1796.87 1834.33 166.84 o 1 8 8 5737.09 5564.72 231.97 o 2 8 8 9266.19 9031.11 282.35 o 3 8 8 9604.17 9417.83 290.32 o 4 8 8 2398.13 2423.21 190.33 o 5 8 8 254.95 303.88 179.42 o 6 8 8 2539.26 2505.95 211.46 o 7 8 8 1581.52 1620.55 202.86 o 8 8 8 1474.78 1492.54 212.92 o 0 1 9 20030.16 19386.23 308.70 o 1 1 9 3219.99 3224.80 154.49 o 1 2 9 17722.10 17406.24 303.09 o 2 2 9 1998.49 2042.59 139.96 o 0 3 9 61.19 37.90 154.28 o 1 3 9 2872.81 2795.22 156.35 o 2 3 9 12464.76 12101.00 272.53 o 3 3 9 212.97 261.46 123.23 o 1 4 9 13358.76 12788.43 286.66 o 2 4 9 314.32 316.43 124.87 o 3 4 9 3627.47 3457.11 185.22 o 4 4 9 491.43 464.37 132.97 o 0 5 9 56865.34 57291.10 587.20 o 1 5 9 482.83 491.87 132.34 o 2 5 9 5465.12 5343.67 211.46 o 3 5 9 94.91 96.39 158.70 o 4 5 9 27084.54 26072.62 437.04 o 5 5 9 331.51 373.04 151.38 o 1 6 9 382.17 406.02 137.09 o 2 6 9 21.71 17.27 316.22 o 3 6 9 3194.03 2966.23 189.43 o 4 6 9 881.69 907.96 153.84 o 5 6 9 470.75 443.14 165.72 o 6 6 9 335.04 413.77 172.43 o 0 7 9 7199.08 6898.94 255.65 o 1 7 9 459.94 503.83 147.43 o 2 7 9 9094.27 8717.25 279.49 o 3 7 9 1170.91 1192.32 162.02 o 4 7 9 9061.06 8655.42 291.85 o 5 7 9 84.83 88.21 168.63 o 6 7 9 6429.89 6210.91 276.07 o 7 7 9 0.61 44.96 202.68 o 1 8 9 203.33 188.51 160.63 o 2 8 9 -7.81 3.92 153.81 o 3 8 9 3355.28 3304.25 211.42 o 4 8 9 3960.76 3987.66 228.66 o 5 8 9 632.04 558.70 196.45 o 6 8 9 2628.56 2733.05 222.94 o 7 8 9 6372.40 6483.93 294.35 o 8 8 9 1812.68 1900.99 234.18 o 0 9 9 44778.60 44460.72 612.50 o 1 9 9 89.80 107.25 387.52 o 2 9 9 4845.06 4861.49 245.18 o 3 9 9 1065.95 1152.65 192.18 o 4 9 9 27861.25 26919.13 512.34 o 5 9 9 181.19 197.47 223.88 o 6 9 9 694.44 682.89 229.87 o 7 9 9 82.84 132.50 338.13 o 8 9 9 387.77 373.63 256.79 o 9 9 9 567.26 669.53 286.11 o 0 0 10 96466.28 104809.06 731.86 o 1 1 10 121.77 97.17 115.35 o 0 2 10 474.40 419.57 123.62 o 1 2 10 1646.66 1665.93 142.93 o 2 2 10 521.95 493.65 126.92 o 1 3 10 1828.94 1765.33 149.01 o 2 3 10 2189.34 2179.75 160.30 o 3 3 10 487.63 447.26 133.28 o 0 4 10 48754.33 48992.39 551.87 o 1 4 10 1186.59 1165.24 142.83 o 2 4 10 202.33 207.01 132.45 o 3 4 10 27.73 22.50 138.19 o 4 4 10 23521.08 22716.99 417.85 o 1 5 10 3977.65 3933.28 201.95 o 2 5 10 1070.45 1127.10 150.61 o 3 5 10 1518.62 1437.60 163.44 o 4 5 10 1377.04 1427.89 165.66 o 5 5 10 16644.01 15978.37 381.69 o 0 6 10 5081.26 4991.06 227.03 o 1 6 10 3923.13 3789.27 209.52 o 2 6 10 447.89 492.41 159.01 o 3 6 10 1706.87 1663.64 175.91 o 4 6 10 2916.84 2816.82 202.78 o 5 6 10 2375.96 2338.57 200.26 o 6 6 10 1318.76 1427.28 195.12 o 1 7 10 3458.23 3396.55 211.79 o 2 7 10 522.89 546.45 172.85 o 3 7 10 1298.40 1312.22 180.06 o 4 7 10 1460.53 1508.89 188.68 o 5 7 10 7246.29 7050.66 291.86 o 6 7 10 678.55 750.38 209.43 o 7 7 10 360.15 432.01 221.73 o 0 8 10 8172.54 8001.75 292.96 o 1 8 10 186.92 214.70 179.35 o 2 8 10 368.07 389.74 186.96 o 3 8 10 67.28 99.23 375.43 o 4 8 10 2808.14 2708.60 221.25 o 5 8 10 517.43 588.93 214.51 o 6 8 10 637.07 661.31 230.32 o 7 8 10 643.84 730.46 248.85 o 8 8 10 1358.39 1478.87 267.62 o 1 9 10 3580.31 3553.71 233.89 o 2 9 10 -19.96 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3575.48 3600.20 270.30 o 2 9 12 261.10 336.91 254.87 o 3 9 12 3950.01 3976.49 283.34 o 4 9 12 1222.91 1323.97 289.96 o 5 9 12 2892.70 3031.75 297.06 o 6 9 12 767.34 834.70 314.74 o 7 9 12 2117.40 2186.84 334.30 o 8 9 12 806.18 902.95 359.79 o 9 9 12 1188.83 1529.50 442.56 o 0 10 12 73.78 46.97 379.85 o 1 10 12 321.47 370.38 279.06 o 2 10 12 476.62 524.75 288.55 o 3 10 12 -6.42 44.34 255.03 o 4 10 12 -15.80 17.35 280.60 o 5 10 12 -46.88 8.18 711.46 o 6 10 12 86.58 62.69 1086.16 o 7 10 12 120.10 120.62 359.96 o 8 10 12 -35.56 65.01 201.41 o 1 11 12 777.53 822.21 320.11 o 2 11 12 10.14 7.87 509.01 o 3 11 12 6776.36 6740.62 351.36 o 4 11 12 -60.48 0.30 503.77 o 5 11 12 1665.65 1859.97 383.03 o 6 11 12 8.99 48.78 424.98 o 0 12 12 214.14 276.45 337.79 o 1 12 12 1206.88 1235.01 373.69 o 2 12 12 18050.31 17914.78 510.82 o 3 12 12 665.09 787.54 414.23 o 4 12 12 167.02 17.23 448.96 o 0 1 13 2287.73 2232.49 199.40 o 1 1 13 81.05 80.17 250.52 o 1 2 13 1102.78 1144.79 184.79 o 2 2 13 90.55 113.67 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13 1482.08 1602.37 317.43 o 7 8 13 430.50 453.61 329.64 o 8 8 13 5960.50 5983.15 413.08 o 0 9 13 6228.25 6283.88 320.99 o 1 9 13 1629.22 1741.58 296.54 o 2 9 13 1536.08 1601.10 301.74 o 3 9 13 1120.93 1247.65 312.28 o 4 9 13 2510.64 2483.12 314.71 o 5 9 13 136.79 158.17 355.37 o 6 9 13 142.91 129.92 668.74 o 7 9 13 88.06 238.33 337.32 o 1 10 13 541.99 515.12 323.92 o 2 10 13 0.00 13.68 1810.77 o 3 10 13 44.31 46.30 305.40 o 4 10 13 448.24 538.51 372.73 o 5 10 13 2888.89 2755.12 397.79 o 6 10 13 -140.65 2.71 332.73 o 0 11 13 537.26 626.21 392.38 o 1 11 13 205.12 298.74 6973.70 o 2 11 13 -47.30 3.24 329.87 o 3 11 13 -41.32 0.16 1783.69 o 4 11 13 347.68 430.94 456.12 o 0 0 14 55834.42 57904.74 735.59 o 1 1 14 1601.46 1672.75 222.49 o 0 2 14 36.03 31.52 205.50 o 1 2 14 427.88 476.38 217.18 o 2 2 14 1319.86 1328.55 226.63 o 1 3 14 1858.70 1907.49 226.86 o 2 3 14 -26.05 3.96 385.37 o 3 3 14 5813.45 5885.29 296.77 o 0 4 14 32590.28 32757.81 597.39 o 1 4 14 2202.03 2314.18 240.29 o 2 4 14 70.72 75.21 219.01 o 3 4 14 930.10 1005.96 246.14 o 4 4 14 24143.37 23971.71 537.55 o 1 5 14 7349.97 7445.90 329.38 o 2 5 14 -15.66 15.15 466.42 o 3 5 14 35.62 47.21 234.85 o 4 5 14 202.42 221.56 258.15 o 5 5 14 23084.44 23465.17 542.09 o 0 6 14 4443.90 4527.95 292.89 o 1 6 14 3713.03 3926.34 282.41 o 2 6 14 1231.25 1290.84 272.69 o 3 6 14 1416.16 1552.49 282.45 o 4 6 14 1957.41 2015.38 287.74 o 5 6 14 602.71 608.09 292.64 o 6 6 14 89.29 113.66 285.37 o 1 7 14 4517.37 4434.40 307.14 o 2 7 14 -12.79 13.35 973.19 o 3 7 14 6943.21 7032.29 346.04 o 4 7 14 -23.61 11.22 489.39 o 5 7 14 2269.87 2419.57 308.64 o 6 7 14 -2.20 0.17 485.54 o 7 7 14 3279.92 3378.23 381.58 o 0 8 14 4946.70 4996.41 321.54 o 1 8 14 1702.42 1809.01 311.00 o 2 8 14 317.89 386.37 389.65 o 3 8 14 232.53 277.17 309.42 o 4 8 14 2839.43 2962.89 333.96 o 5 8 14 175.43 143.58 321.84 o 6 8 14 345.48 376.91 377.40 o 7 8 14 210.80 21.53 433.35 o 1 9 14 5080.86 4992.82 338.99 o 2 9 14 37.11 58.53 4341.25 o 3 9 14 -37.56 44.77 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184.63 242.31 453.16 o 2 7 15 211.44 238.37 566.60 o 3 7 15 486.13 580.92 322.16 o 4 7 15 367.59 389.45 349.13 o 5 7 15 161.87 255.22 410.01 o 1 8 15 45.69 53.60 1088.54 o 2 8 15 572.78 708.44 353.97 o 3 8 15 59.08 151.38 935.11 o 4 8 15 43.16 2.62 404.46 o 0 0 16 1514.97 1537.95 278.72 o 1 1 16 814.13 891.87 294.21 o 0 2 16 42.03 44.89 247.05 o 1 2 16 620.30 688.15 305.44 o 2 2 16 27822.37 28685.28 609.14 o 1 3 16 535.13 619.97 312.78 o 2 3 16 354.51 408.72 301.89 o 3 3 16 6696.74 6843.38 357.80 o 0 4 16 1410.11 1546.42 321.76 o 1 4 16 996.46 1148.68 324.30 o 2 4 16 213.83 261.76 300.55 o 3 4 16 717.67 823.26 322.78 o 4 4 16 604.92 767.11 346.94 o 1 5 16 4472.94 4616.95 341.70 o 2 5 16 313.15 372.84 333.35 o 3 5 16 1181.73 1234.61 347.39 o 4 5 16 7.61 107.31 554.44 o 5 5 16 3806.62 3981.25 384.97 o 0 6 16 86.00 149.27 292.74 o 1 6 16 2426.50 2514.73 351.93 o 2 6 16 8395.27 8459.62 378.71 o 3 6 16 704.18 774.51 398.82 o 4 6 16 22.92 104.78 427.80 o 1 7 16 972.61 882.55 405.22 o 0 1 17 923.65 1054.07 333.59 o 1 1 17 1543.04 1784.12 338.75 o 1 2 17 235.06 215.96 298.55 o 2 2 17 66.44 40.60 293.17 o 0 3 17 2069.10 2055.86 385.31 o 1 3 17 1431.17 1599.27 381.60 o 2 3 17 3473.64 3432.68 398.62 o 1 4 17 620.51 603.05 418.25 o