Received 22 June 2011
The title compound, [Fe(C9H10BN6)2], is a polymorph of a compound reported previously [Oliver et al. (1980). Inorg. Chem. 19, 165-168]. In the previous report, the compound crystallized in the monoclinic space group P21/c (Z = 4), whereas the crystal symmetry of the compound reported here is tetragonal (P42/ncm, Z = 4). The molecular structure is comprised of two hydrotris(1-pyrazolyl)borate ligands (Tp-) and a central FeII ion, which is coordinated by six pyrazole N atoms from two two Tp- ligands, yielding a distorted bipyramidal FeN6 geometry. The complete molecule exhibits symmetry 2/m.
For the crystal structure of the other polymorph measured at room temperature, see: Oliver et al. (1980). For iron(II) complexes with the Tp- derivative ligands, see: Janiak et al. (2000); Reger et al. (2005).
Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP (Sheldrick, 1998); software used to prepare material for publication: XP.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HG5058 ).
This work was supported by the Fundamental Research Funds for the Central Universities (China University of Mining and Technology). The authors thank Professors Hui-Zhong Kou and Seik Weng Ng for helpful comments and assistance in the preparation of this paper.
Bruker (2001). SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Janiak, C., Temizdemir, S., Dechert, S., Deck, W., Girgsdies, F., Heinze, J., Kolm, M., Scharmann, T. G. & Zipffel, O. M. (2000). Eur. J. Inorg. Chem. pp. 1229-1236.
Oliver, J. D., Mullica, D. F., Hutchinson, B. B. & Milligan, W. O. (1980). Inorg. Chem. 19, 165-168.
Reger, D. L., Gardinier, J. R., Smith, M. D., Shahin, A. M., Long, G. J., Rebbouh, L. & Grandjean, F. (2005). Inorg. Chem. 44, 1852-1856.
Sheldrick, G. M. (1998). XP. Bruker AXS Inc., Madison, Wisconsin, USA.
Sheldrick, G. M. (2003). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.