Received 13 November 2012
In the title compound, (C7H11N2)3[Fe(NCS)6]·H2O, the FeIII cation is coordinated by six terminal N-bonded thiocyanate anions into a discrete threefold negatively charged complex. Charge balance is achieved by three protonated 4-(dimethylamino)pyridine cations. The asymmetric unit consists of one FeIII cation, six thiocyanate anions, three 4-(dimethylamino)pyridinium cations and one water molecule, all of them located in general positions.
For general background to our work on the synthesis and characterization of coordination compounds based on transition metal thiocyanates and neutral N-donor co-ligands such as pyridine, see: Boeckmann & Näther (2011, 2012).
Data collection: X-AREA (Stoe & Cie, 2008); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2012); software used to prepare material for publication: XCIF in SHELXTL.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HP2051 ).
We gratefully acknowledge financial support by the State of Schleswig-Holstein and the Deutsche Forschungsgemeinschaft (project 720/3-1). We thank Professor Dr Wolfgang Bensch for access to his experimental facility.
Boeckmann, J. & Näther, C. (2011). Dalton Trans. 39, 11019-11026.
Boeckmann, J. & Näther, C. (2012). Polyhedron, 31 587-595.
Brandenburg, K. (2012). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Stoe & Cie (2008). X-AREA, X-RED32 and X-SHAPE. Stoe & Cie, Darmstadt, Germany.