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However, a synthetic high-nuclear iron cluster has been absent due to the extreme difficulty in stabilizing species with direct iron\u2212iron bonding. In this work, we have synthesized, crystallized, and characterized a (Tp*)4W4S12(Fe@Fe12) cluster (Tp*\u00a0=\u00a0tris(3,5-dimethyl-1-pyrazolyl)borate(1\u2212)), which features a rare trideca-nuclear, icosahedral [Fe@Fe12] cluster core with direct multicenter iron\u2212iron bonding between the interstitial iron (Fei) and peripheral irons (Fep), as well as Fep\u00b7\u00b7\u00b7Fep ferromagnetic coupling. Quantum chemistry studies reveal that the stability of the cluster arises from the 18-electron shell-closing of the [Fe@Fe12]16+ core, assisted by its bonding interactions with the peripheral tridentate [(Tp*)WS3]4\u2212 ligands which possess both S\u2192Fe donation and spin-polarized Fe\u2212W \u03c3 bonds. The ground-state electron spin is theoretically predicted to be S\u00a0=\u00a032\/2 for the cluster. The existence of low oxidation-state (OS \u223c\u00a0+1.23) iron in this compound may find interesting applications in magnetic storage, spintronics, redox chemistry, and cluster catalysis.<\/jats:p>","DOI":"10.1093\/nsr\/nwad327","type":"journal-article","created":{"date-parts":[[2023,12,23]],"date-time":"2023-12-23T12:47:15Z","timestamp":1703335635000},"source":"Crossref","is-referenced-by-count":8,"title":["Synthesis and characterization of iron clusters with an icosahedral [Fe@Fe12]16+ Core"],"prefix":"10.1093","volume":"11","author":[{"given":"Gan","family":"Xu","sequence":"first","affiliation":[{"name":"Jiangsu Collaborative Innovation Center of Biomedical Functional Materials and Jiangsu Key Laboratory of New Power Batteries, School of Chemistry and Materials Science, Nanjing Normal University , Nanjing 210023 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yun-Shu","family":"Cui","sequence":"additional","affiliation":[{"name":"Department of Chemistry 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