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[24] Crystallographic data (excluding structure factors) for the structures reported in this paper have been deposited with the Cambridge Crystallographic Data Center as supplementary publication nos. CCDC-114061 (3a) and -114062 (6). Copies of the data can be obtained free of charge on application to CCDC, 12 Union Road, Cambridge CB2 1EZ, UK (fax: (+4-1) 1223-336-033; e-mail: deposit@ ccdc.eam.ac.uk).
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O. J. Scherer, H. Sitzmann, G. Wolmershäuser, Angew. Chem. 1984, 96, 974-980; Angew. Chem. Int. Ed. Engl. 1984, 23, 968-969.
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5-triphosphete has been described: H. H. Karsch, E. Witt, F. E. Hahn, Angew. Chem. 1996, 108, 2380-2382; Angew. Chem. Int. Ed. Engl. 1996, 35, 2242-2244.
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49
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[26] This is a "small-core" approach for the Mo atom, leaving 16 electrons to be treated explicitly (those in the 4s, 4p, 4d, and 5s orbitals). Polarization functions were added to the phosphorus and molybdenum atoms.
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