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Geometry optimized (BP86) coordinates of 11a. The hydrogen atoms were omitted for clarity. Selected bond lengths are given in Å. Selected bond angles: N(2)-Nb(1)-N(7) 110.8°, N(12)-Nb(1)-N(13) 93.8°, Nb(1)-N(2)-C(3) 157.3°, Nb(1)-Nb(7)-C(8) 153.9°, N(imido)-Nb(1)-N(BDI′) varies between 112.7° and 112.9°.
