Abstract
The asymmetric unit of the title compound, [Fe(NCS)2(C6H4N2)2(H2O)2]·2C6H4N2, comprises one FeII cation occupying an inversion centre as well as one thio-cyanate anion, one water mol-ecule and two 4-cyano-pyridine mol-ecules in general positions. The iron cations are coordinated by two N-bonded thiocyanate anions, two (pyridine)N-bonded 4-cyano-pyridine ligands and two water mol-ecules into discrete complexes. The resulting coordination polyhedron can be described as a slightly distorted octa-hedron. The discrete complexes are connected through centrosymmetric pairs of (pyridine)C-H⋯N(cyano) hydrogen bonds into chains that are further linked into a three-dimensional network through inter-molecular O-H⋯N hydrogen bonds involving the 4-cyano-pyridine solvent mol-ecules.
Highlights
The asymmetric unit of the title compound, [Fe(NCS)2(C6H4N2)2(H2O)2]2C6H4N2, comprises one FeII cation occupying an inversion centre as well as one thiocyanate anion, one water molecule and two 4-cyanopyridine molecules in general positions
The iron cations are coordinated by two N-bonded thiocyanate anions, twoN-bonded 4-cyanopyridine ligands and two water molecules into discrete complexes
Thiocyanate anions are versatile ligands that can coordinate in different modes to metal cations
Summary
Thiocyanate anions are versatile ligands that can coordinate in different modes to metal cations. In most cases the anionic ligands are terminally N-bonded to the metal cation but there are several examples for a -1,3 bridging mode (Werner et al, 2015; Boeckmann & Näther, 2012; Palion-Gazda et al., 2015). The latter coordination is of special interest if the compounds contain paramagnetic metal cations because cooperative magnetic properties can be expected (PalionGazda et al, 2015). The structure contains additional 4-cyanopyridine solvate molecules that are located in the cavities of the structure
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