Research Article: Tetra­kis(μ-4-tert-butyl­benzoato)-κ4O:O′;κ3O,O′:O′;κ3O:O,O′-bis­[aqua­(4-tert-butyl­benzoato-κ2O,O′)(4-tert-butyl­benzoic acid-κO)neodymium(III)]

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.

Partial Text

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 ▶).




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