Received 8 November 2012
The title compound, [Tb(NCS)3(C18H15OP)3], contains a six-coordinate TbII cation surrounded by three O-bound triphenylphosphine oxide ligands and three N-bound thiocyanate ligands, each in a fac arrangement. There are two crystallographically unique TbIII atoms in the asymmetric unit. One TbIII atom resides on a threefold rotation axis, while the other has no imposed crystallographic symmetry. The thiocyanate ligands are bound through N atoms, illustrating the hard-hard bonding principles of metal complex chemistry.
For information on structures of related lanthanide phosphine oxide complexes, see: Bowden et al. (2012); Feazell et al. (2004). For the synthesis and characterization of lanthanide triphenylphosphine oxides with nitrate and thiocyanate anions, see: Cousins & Hart (1967, 1968). For more information on the sizes of lanthanide ions, see: Brown & Altermatt (1985).
Data collection: CrysAlis PRO (Agilent, 2012); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: publCIF (Westrip, 2010).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2605 ).
The authors acknowledge the National Science Foundation for its generous support (NSF Career grant to RES, No. CHE-0846680).
Agilent (2012). CrysAlis PRO. Agilent Technologies, Yarnton, Oxfordshire, England.
Bowden, A., Singh, K. & Platt, A. (2012). Polyhedron, 42, 30-35.
Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.
Cousins, D. R. & Hart, F. A. (1967). J. Inorg. Nucl. Chem. 29, 1745-1757.
Cousins, D. R. & Hart, F. A. (1968). J. Inorg. Nucl. Chem. 30, 3009-3015.
Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339-341.
Feazell, R. P., Gary, J. B., Kautz, J. A., Klausmeyer, K. K., Wong, C. W. & Zancanella, M. (2004). Acta Cryst. E60, m532-m534.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.