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It should also be noted that, in the crystal structure, the terminal methyl group of the acetonitrile moiety has a high thermal parameter, indicating possible disorder. However, attempts to model this disorder revealed that the two disordered components lie very close to one another with little effect on the overall acetonitrile coordination geometry. In any case, since these efforts did not lead to any improvement in the overall model, they were abandoned.
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Geometries for the computed triplets are presented in Figure S2.
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