Received 23 April 2010
The title compound, [PdCl2(C6H16N3)](C7H7SO3), consists of a PdII atom bonded to two N atoms of the 1,4,7-triazacyclononane (TACN) ligand and two chloride ions, which define a distorted square-planar geometry. The third N atom of the TACN ligand is protonated and hydrogen bonds to the p-toluenesulfonate anion. The Cl-Pd-Cl angle is larger than the N-Pd-N angle. The packing is dominated by layers, which are formed by the criss-crossing of two different hydrogen-bonded chains. One chain is composed of hydrogen-bonded Pd(TACNH)Cl2+ cations, while the second is formed through hydrogen bonding between the p-toluenesulfonate anion and the Pd(TACNH)Cl2+ cation.
For background to complexes of PdII and PtII with 1,4,7-triazacyclononane (TACN), see: McAuley & Whitcombe (1988); Blake et al. (1988, 1993); Margulis & Zompa (1992); Hunter et al. (1988); Davies et al. (2000). For the synthesis of TACN, see: Kang & Jo (2003). For Pd-N and Pd-Cl bond distances in Pd(en)Cl2, see: Iball et al. (1975).
Data collection: CrystalClear (Rigaku/MSC, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEPII (Johnson, 1976); 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: TK2666 ).
Support from the Department of Chemistry at The University of Texas is gratefully acknowledged.
Blake, A. J., Gordon, L. M., Holder, A. J., Hyde, T. I., Reid, G. & Schröder, M. (1988). J. Chem. Soc. Chem. Commun. pp. 1452-1454..
Blake, A. J., Holder, A. J., Roberts, Y. V. & Schroder, M. (1993). J. Chem. Soc. Chem. Commun. pp. 260-262.
Davies, M. S., Fenton, R. R., Huq, F., Ling, E. C. H. & Hambley, T. W. (2000). Aust. J. Chem. 53, 451-456.
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Hunter, G., McAuley, A. & Whitcombe, T. W. (1988). Inorg. Chem. 27, 2634-2639.
Iball, J., MacDougall, M. & Scrimgeour, S. (1975). Acta Cryst. B31, 1672-1674.
Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA.
Kang, J. & Jo, J. H. (2003). Bull. Korean Chem. Soc. 24, 1403-1406.
Margulis, T. N. & Zompa, L. J. (1992). Inorg. Chim. Acta, 201, 61-67.
McAuley, A. & Whitcombe, T. W. (1988). Inorg. Chem. 27, 3090-3099.
Rigaku/MSC (2005). CrystalClear. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Westrip, S. P. (2010). J. Appl. Cryst. 43. Submitted.