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Synthesis and crystal structure of di­aqua­bis­(hexa­methyl­enetramine-κN)bis­(thio­cyanato-κN)cobalt(II)–hexa­methyl­ene­tetra­mine–aceto­nitrile (1/2/2)

The crystal structure of the title solvated coordination compound, [Co(NCS)(2)(C(6)H(12)N(4))(2)(H(2)O)(2)]·2C(6)H(12)N(4)·2C(2)H(3)N, consists of discrete complexes in which the Co(2+) cations (site symmetry [Image: see text] ) are sixfold coordinated by two N-bonded thio­cyanate anions, two water...

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Detalles Bibliográficos
Autores principales: Krebs, Christoph, Ceglarska, Magdalena, Näther, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587985/
https://www.ncbi.nlm.nih.gov/pubmed/34868640
http://dx.doi.org/10.1107/S2056989021010033
Descripción
Sumario:The crystal structure of the title solvated coordination compound, [Co(NCS)(2)(C(6)H(12)N(4))(2)(H(2)O)(2)]·2C(6)H(12)N(4)·2C(2)H(3)N, consists of discrete complexes in which the Co(2+) cations (site symmetry [Image: see text] ) are sixfold coordinated by two N-bonded thio­cyanate anions, two water mol­ecules and two hexa­methyl­ene­tetra­mine (HMT) mol­ecules to generate distorted trans-CoN(4)O(2) octa­hedra. The discrete complexes are each connected by two HMT solvate mol­ecules into chains via strong O—H⋯N hydrogen bonds. These chains are further linked by additional O—H⋯N and C—H⋯N and C—H⋯S hydrogen bonds into a three-dimensional network. Within this network, channels are formed that propagate along the c-axis direction and in which additional aceto­nitrile solvent mol­ecules are embedded, which are hydrogen bonded to the network. The CN stretching vibration of the thio­cyanate ion occurs at 2062 cm(−1), which is in agreement with the presence of N-bonded anionic ligands. XRPD investigations prove the formation of the title compound as the major phase accompanied by a small amount of a second unknown phase.