Abstract
The crystal structure of the title salt, (C6H8NO)8[Fe(NCS)4(C6H7NO)2][Fe(NCS)5(C6H7NO)]2[Fe(NCS)6], comprises three negatively charged octa-hedral FeIII complexes with different coordination environments in which the FeIII atoms are coordinated by a different number of thio-cyanate anions and 4-meth-oxy-pyridine ligands. Charge balance is achieved by 4-meth-oxy-pyridinium cations. The asymmetric unit consists of three FeIII cations, one of which is located on a centre of inversion, one on a twofold rotation axis and one in a general position, and ten thio-cyanate anions, two 4-meth-oxy-pyridine ligands and 4-meth-oxy-pyridinium cations (one of which is disordered over two sets of sites). Beside to Coulombic inter-actions between organic cations and the ferrate(III) anions, weak N-H⋯S hydrogen-bonding inter-actions involving the pyridinium N-H groups of the cations and the thio-cyanate S atoms of the complex anions are mainly responsible for the cohesion of the crystal structure.
Highlights
The crystal structure of the title salt, (C6H8NO)8[Fe(NCS)4(C6H7NO)2][Fe(NCS)5(C6H7NO)]2[Fe(NCS)6], comprises three negatively charged octahedral FeIII complexes with different coordination environments in which the FeIII atoms are coordinated by a different number of thiocyanate anions and 4-methoxypyridine ligands
The asymmetric unit consists of three FeIII cations, one of which is located on a centre of inversion, one on a twofold rotation axis and one in a general position, and ten thiocyanate anions, two 4-methoxypyridine ligands and 4-methoxypyridinium cations
The iron(III) cations, of which one is located on a centre of Fe1—N distances to the anionic ligands are similar and inversion (Fe3), one on a twofold rotation axis (Fe1) and one significantly shorter than those to the neutral in a general position (Fe2), as well as ten thiocyanate anions, 4-methoxypyridine co-ligands (Table 1)
Summary
The synthesis of new coordination compounds based on paramagnetic metal cations has become increasingly interesting. The distance to the N7 atom of the thiocyanate anion the three FeIII cations shows a different octahedral coordin- that is trans to the 4-methoxypridine ligand is comparable to the other short Fe—N distances (Table 1). It is noted that a number of discrete anionic complexes based, for example, on MnII or FeII thiocyanates, are reported in which the metal cations are four-, five-, or sixfold coordinated by anionic and additional neutral co-ligands. The negative charges of the anionic complexes in the title compound (–1 for Fe1, 2Â À2 for Fe2 and À3 for Fe3) are compensated by eight 4-methoxypyridinium cations, of which each two are pairwise related by symmetry (Fig. 2)
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