Crystal structure of octa-kis-(4-meth-oxy-pyridinium) bis-(4-meth-oxy-pyridine-κN )tetra-kis-(thio-cyanato-κN )ferrate(III) bis-[(4-meth-oxypyri-dine-κN )pentakis-(thio-cyanato-κN )ferrate(III)] hexa-kis-(thio-cyanato-κN )ferrate(III) with iron in three different octa-hedral coordination environments

Acta Crystallographica. Section E, Crystallographic Communications
Aleksej JochimChristian Näther

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.

References

Dec 25, 2007·Acta Crystallographica. Section A, Foundations of Crystallography·George M Sheldrick
Jun 26, 2013·Acta Crystallographica. Section E, Structure Reports Online·Sergii I ShylinElena V Prisyazhnaya
Dec 30, 2014·Acta Crystallographica. Section A, Foundations and Advances·George M Sheldrick
Feb 4, 2016·Dalton Transactions : an International Journal of Inorganic Chemistry·Alejandro CadranelJosé H Hodak
Apr 7, 2016·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Colin R GroomSuzanna C Ward
Jan 14, 2017·Physical Chemistry Chemical Physics : PCCP·Michał RamsChristian Näther
Aug 31, 2017·Physical Chemistry Chemical Physics : PCCP·Michał RamsChristian Näther

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