Abstract
The asymmetric unit of the title compound, (C 5 H 6 N) 2 -[NbCl 4 O(C 5 H 5 N)]Cl or (pyH)2[O=NbCl 4 (py)]Cl (py is pyridine), contains a discrete anionic niobium(V) complex, [O=NbCl 4 (Py)] - , and two protonated pyridine molecules, which form medium-strong hydrogen bonds with the Cl - counter-ion. The Nb=O distance of 1.7643 (17) A is the longest among those in congener niobium complexes reported to date. Extensive density functional theory studies of conformations of [O=NbCl 4 (py)] - and structural data mining raise doubts regarding the reliability of the length of this Nb=O double bond.
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