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Although full encapsulation within a cage has not been yet been achieved, some XO6 centers have been incorporated into the Anderson structure type. See for example: a H. Y. An, Y. G. Li, E. B. Wang, D. R. Xiao, C. Y. Sun, L. Xue, Inorg. Chem. 2005, 44, 6062;
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6 centers have been incorporated into the Anderson structure type. See for example: a) H. Y. An, Y. G. Li, E. B. Wang, D. R. Xiao, C. Y. Sun, L. Xue, Inorg. Chem. 2005, 44, 6062;
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b) D. Honda, T. Ozeki, A. Yagasaki, Inorg. Chem. 2005, 44, 9616;
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Honda, D.1
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Crystallographic data and structure refinements for K6-[H 3W18O56(IO6)]·9H 2O 1: H21IK6O71W 18, Mr, 4827.97; block crystal: 0.18 x 0.14 x 0.11 mm3; T, 100(2) K. Trigonal, R3, a, 19.218(2, c, 15.668(3) Å, V, 5011.7(13) Å3, Z, 3, ρ, 4.80 gcm-3, μ(MoKα, 31.795 mm-1, F(000)=6264, 5435 reflections measured, 3526 unique (Rint, 0.033, 277 refined parameters, R1, 0.0405, wR2, 0.1104. One third of the cluster was found in the asymmetric unit with a number of disordered K+ and solvent water sites which sum to 6 and 9 per cluster, respectively, TPA)6[H 3W18O18(IO6)]·2CH 3CN 2: C76H
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+ molecule were found in the asymmetric unit with a number of disordered solvent water sites which sum to 2 water molecules per cluster. Crystal data were measured on a Bruker ApexII CCD diffractometer using Mo Kα radiation (λ = 0. 71073 Å) at 100(2) K. Further details of the crystal structure investigation (1) may be obtained from Fachinformationszentrum Karlsruhe, 76344 Eggenstein-Leopoldshafen, Germany (fax: (+49)7247-808-666; e-mail: crysdata@fiz-karlsruhe.de, http://www.fizkarlsruhe.de/ request_for_deposited_data.html) on quoting number CSD 418917 . CCDC-670205 (2) and CCDC-670206 (3) also contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/ data_request/cif.
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Turbomole 5.9.1 (O. Treutler, R. Ahlrichs, J. Chem. Phys. 1995, 102, 346), see the Supporting Information.
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Turbomole 5.9.1 (O. Treutler, R. Ahlrichs, J. Chem. Phys. 1995, 102, 346), see the Supporting Information.
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