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The structures of compounds [(R<jats:sup>1,\u20092<\/jats:sup>Sn)<jats:sub>3<\/jats:sub>S<jats:sub>4<\/jats:sub>Cl] (<jats:bold>1<\/jats:bold>, <jats:bold>2<\/jats:bold>), [((R<jats:sup>2<\/jats:sup>Sn)<jats:sub>2<\/jats:sub>SnS<jats:sub>4<\/jats:sub>)<jats:sub>2<\/jats:sub>(\u03bc\u2010S)<jats:sub>2<\/jats:sub>] (<jats:bold>3<\/jats:bold>), [(R<jats:sup>1,\u20092<\/jats:sup>Sn)<jats:sub>3<\/jats:sub>Se<jats:sub>4<\/jats:sub>][SnCl<jats:sub>3<\/jats:sub>] (<jats:bold>4, 5<\/jats:bold>), and [Li(thf)<jats:sub><jats:italic>n<\/jats:italic><\/jats:sub>][(R<jats:sup>3<\/jats:sup>Sn)(HR<jats:sup>3<\/jats:sup>Sn)<jats:sub>2<\/jats:sub>Se<jats:sub>4<\/jats:sub>Cl] (<jats:bold>6<\/jats:bold>), in which R<jats:sup>1<\/jats:sup>=CMe<jats:sub>2<\/jats:sub>CH<jats:sub>2<\/jats:sub>C(O)Me, R<jats:sup>2<\/jats:sup>=CMe<jats:sub>2<\/jats:sub>CH<jats:sub>2<\/jats:sub>C(NNH<jats:sub>2<\/jats:sub>)Me, and R<jats:sup>3<\/jats:sup>=CH<jats:sub>2<\/jats:sub>CH<jats:sub>2<\/jats:sub>COO, are based on defect heterocubane scaffolds, as shown by X\u2010ray diffraction, <jats:sup>119<\/jats:sup>Sn\u2005NMR spectroscopy, and ESI mass spectrometry analyses. Compounds <jats:bold>4<\/jats:bold>, <jats:bold>5<\/jats:bold>, and <jats:bold>6<\/jats:bold> constitute the first examples of defect heterocubane\u2010type metal\u2010chalcogenide complexes that are comprised of selenide ligands. Comprehensive DFT calculations prompted us to search for the formal intermediates [(R<jats:sup>1<\/jats:sup>SnCl<jats:sub>2<\/jats:sub>)<jats:sub>2<\/jats:sub>(\u03bc\u2010S)] (<jats:bold>7<\/jats:bold>) and [(R<jats:sup>1<\/jats:sup>SnCl)<jats:sub>2<\/jats:sub>(\u03bc\u2010S)<jats:sub>2<\/jats:sub>] (<jats:bold>8<\/jats:bold>), which were isolated and helped to understand the stepwise formation of compounds <jats:bold>1<\/jats:bold>\u2013<jats:bold>6<\/jats:bold>.<\/jats:p>","DOI":"10.1002\/chem.201301521","type":"journal-article","created":{"date-parts":[[2013,8,21]],"date-time":"2013-08-21T05:28:45Z","timestamp":1377062925000},"page":"13792-13802","source":"Crossref","is-referenced-by-count":42,"title":["Functionalized Organotin\u2010Chalcogenide Complexes That Exhibit Defect Heterocubane Scaffolds: Formation, Synthesis, and Characterization"],"prefix":"10.1002","volume":"19","author":[{"given":"Jens P.","family":"Eu\u00dfner","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Beatrix E. 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