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Pyridinium bis-(pyridine-?N)tetra-kis-(thio-cyanato-?N)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 ?-? 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-other | 2013 Jun

REPOSITORIES: biostudies-other

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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]

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