Received 29 December 2009
aCollege of Chemistry and Chemical Engineering, China University of Petroleum (East China), Qingdao Shandong 266555, People's Republic of China,bCollege of Chemistry and State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Changchun 130023, People's Republic of China, and cCollege of Chemical Engineering, Northeast Dianli University, Jilin 132012, People's Republic of China
Correspondence e-mail: firstname.lastname@example.org
The title compound, (C4H12N2)3[PMo12O40] or (H2pip)3[PMo12O40] (pip is piperazine), was prepared under hydrothermal conditions. The asymmetric unit contains one-sixth of a mixed-valent Mo(V,VI) pseudo-Keggin-type [PMo12O40]6- anion and half a piperazinediium cation, (H2pip)2+. The discrete Keggin-type [PMo12O40]6- anion has site symmetry and the three (H2pip)2+ cations each have site symmetry at the centres of the molecules. The central P atom is on special position , which is a roto-inversion position and generates the disorder of the PO4 tetrahedron. Furthermore, six doubly bridging oxide groups are also disordered with an occupancy factor of 0.5 for each O atom. The anions and cations are linked by an extensive network of intermolecular N-HO and C-HO hydrogen bonds.
For polyoxometalate chemistry, see: Pope & Müller (1991); Hill (1998); Kurth et al. (2001). For related structures, see: Han et al. (2005); Li et al. (2007); Yuan et al. (2008). For general background to bond-valence calculations, see: Brown & Altermatt (1985).
Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: RAPID-AUTO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 1999); software used to prepare material for publication: SHELXL97.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SI2235 ).
This work was supported by the National Natural Science Foundation of China (20571032 and 20333070).
Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.
Han, Z. G., Zhao, Y. L., Peng, J., Tian, A. X., Liu, Q., Ma, J. F., Wang, E. B. & Hu, N. H. (2005). CrystEngComm, 7, 380-387.
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Hill, C. L. (1998). Chem. Rev. 98, 1-2.
Kurth, D. G., Volkmer, D., Pope, M. T. & Müller, A. (2001). Polyoxometalate Chemistry, p. 301. Dordrecht: Kluwer.
Li, Y. G., Dai, L. M., Wang, Y. H., Wang, X. L., Wang, E. B., Su, Z. M. & Xu, L. (2007). Chem. Commun. pp. 2593-2595.
Pope, M. T. & Müller, A. (1991). Angew. Chem. Int. Ed. Engl. 30, 34-48.
Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Yuan, J.-H., Wang, C., Yu, M.-J. & Li, J. (2008). Acta Cryst. E64, m831.