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Crystal structure of the co-crystal fac-tri­aqua­tris(thio­cyanato-κN)iron(III)–2,3-di­methyl­pyrazine (1/3)

In the crystal of the title compound, [Fe(NCS)(3)(H(2)O)(3)]·3C(6)H(8)N(2), the Fe(III) cation is located on a threefold rotation axis and is coordinated by three N atoms of the thiocyanate anions and three water mol­ecules in a fac arrangement, forming a slightly distorted N(3)O(3) octa­hedron. Sta...

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Detalles Bibliográficos
Autores principales: Kucheriv, Olesia I., Shylin, Sergii I., Ilina, Tetiana A., Dechert, Sebastian, Gural’skiy, Il’ya A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438839/
https://www.ncbi.nlm.nih.gov/pubmed/26029394
http://dx.doi.org/10.1107/S2056989015004831
Descripción
Sumario:In the crystal of the title compound, [Fe(NCS)(3)(H(2)O)(3)]·3C(6)H(8)N(2), the Fe(III) cation is located on a threefold rotation axis and is coordinated by three N atoms of the thiocyanate anions and three water mol­ecules in a fac arrangement, forming a slightly distorted N(3)O(3) octa­hedron. Stabilization within the crystal structure is provided by O—H⋯N hydrogen bonds; the H atoms from coordinating water mol­ecules act as donors to the N atoms of guest 2,3-di­methyl­pyrazine mol­ecules, leading to a three-dimensional supra­molecular framework.