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Pyridinium bis-(pyridine-κN)tetra-kis-(thio-cyanato-κN)ferrate(III).

ABSTRACT: In the title compound, (C5H6N)[Fe(NCS)4(C5H5N)2], the Fe(III) ion is coordinated by four thio-cyanate N atoms and two pyridine N atoms in a trans arrangement, forming an FeN6 polyhedron with a slightly distorted octa-hedral geometry. Charge balance is achieved by one pyridinium cation bound to the complex anion via N-H⋯S hydrogen bonding. The asymmetric unit consists of one Fe(III) cation, four thio-cyanate anions, two coordinated pyridine mol-ecules and one pyridinium cation. The structure exhibits π-π inter-actions between pyridine rings [centroid-centroid distances = 3.7267 (2), 3.7811 (2) and 3.8924 (2) Å]. The N atom and a neighboring C atom of the pyridinium cation are statistically disordered with an occupancy ratio of 0.58 (2):0.42 (2).

SUBMITTER: Shylin SI

PROVIDER: S-EPMC3684869 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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Pyridinium bis-(pyridine-κN)tetra-kis-(thio-cyanato-κN)ferrate(III).

Shylin Sergii I SI Gural'skiy Il'ya A IA Haukka Matti M Kapshuk Anatoliy A AA Prisyazhnaya Elena V EV

Acta crystallographica. Section E, Structure reports online 20130504 Pt 6

In the title compound, (C5H6N)[Fe(NCS)4(C5H5N)2], the Fe(III) ion is coordinated by four thio-cyanate N atoms and two pyridine N atoms in a trans arrangement, forming an FeN6 polyhedron with a slightly distorted octa-hedral geometry. Charge balance is achieved by one pyridinium cation bound to the complex anion via N-H⋯S hydrogen bonding. The asymmetric unit consists of one Fe(III) cation, four thio-cyanate anions, two coordinated pyridine mol-ecules and one pyridinium cation. The structure exhi ...[more]

PMID: 23794971

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