A solution and solid state study of niobium complexes University of ...

Chapter 4
4.3 Crystal Structure of [NbCl(acac-κ 2 -O,O’)(OMe)3].
4.3.1 Introduction
Pale-yellow crystals of the title compound were obtained as described in Paragraph
3.7.2.1. The [NbCl(acac-κ 2 -O,O’)(OMe)3] complex crystallized in the orthorhombic
space group Pbca, with eight molecules per unit cell. The structure and numbering
scheme of [NbCl(acac-κ 2 -O,O’)(OMe)3] is illustrated in Figure 4.2, while the most
important bond distances and angles are reported in Table 4.2 and Table 4.3,
respectively.
Figure 4.2: Molecular structure of [NbCl(acac-κ 2 -O,O’)(OMe)3] showing the atom numbering
system. Hydrogen atoms have been omitted for clarity. Displacement ellipsoids are drawn at
the 50% probability displacement level.
The molecular structure of [NbCl(acac-κ 2 -O,O’)(OMe)3] consists of a Nb(V) metal
centre, coordinated to two oxygen atoms of the chelating acetylacetonate ligand,
three oxygen atoms from the methanolate groups and one chloride ligand. 8
8 L. Herbst, R. Koen, A. Roodt, H. G. Visser, Acta Cryst., E66, m801, 2010.
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