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Early calculations disfavored internal bonding [H. Deng and R. Hoffmann, Angew. Chem. Int. Ed. Engl. 32, 1062 (1993)]; however, more recent calculations are favorable [K. K. Stavrev and M. C. Zerner, Chem. Eur. J. 2, 83 (1996)].
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note
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We thank J. Bercaw for pointing out the structural analogy of 1 to the nitrogenase cluster. This work was supported by the Division of Chemical Sciences, Office of Basic Energy Sciences, Office of Energy Research, U.S. Department of Energy.
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