Date Published: June 01, 2011
Publisher: International Union of Crystallography
Author(s): Juan Yang, Jun Dai.
The reaction of neodymium nitrate and 4-tert-butylbenzoic acid (tBBAH) in aqueous solution yielded the dinuclear title complex, [Nd2(C11H13O2)6(C11H14O2)2(H2O)2], which has non-crystallographic Ci symmetry. The two NdIII ions are linked by two bridging and two bridging–chelating tBBA ligands with an Nd⋯Nd separation of 4.0624 (5) Å. Moreover, each NdIII ion is coordinated by one chelating tBBA ion, one monodentate tBBAH ligand and one water molecule. The nine-coordinated NdIII ion is in a distorted tricapped trigonal–prismatic environment. The molecules are linked into infinite chains along the c axis by intermolecular O—H⋯O hydrogen bonds. Three of the tert-butyl groups are disordered over two sets of sites with equal occupancies.
For the structures and properties of lanthanide benzoate complexes, see: Roh et al. (2005 ▶); Singh et al. (2007 ▶); Xu et al. (2009 ▶); Yang et al. (2010 ▶). For geometrical parameters of compounds with similar nine-coordinate NdIII atoms, see: Xiao et al. (2008 ▶); Wang et al. (2009 ▶).