A new Zintl cluster, [(Ni@Sn)In(Ni@Sn)], has been isolated in two distinct isomeric forms, one where both Ni@Sn units are coordinated to the bridging In atom in an η- mode, the other where one is η- and the other η-. Density functional theory indicates that the energetic separation between these two structures is minimal, suggesting that crystal packing plays a decisive role in the structural chemistry. A comparison of the electronic structure of [(Ni@Sn)In(Ni@Sn)] with [(Ni@Ge)Ni(Ni@Ge)], which has four fewer valence electrons, sheds some light on possible mechanisms that lead to the fusion of cluster fragments.
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