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Crystal structure of cis-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)bis­(thio­cyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data

The crystal structure of the title complex, cis-[Cr(NCS)(2)(cyclam)]Br (cyclam = 1,4,8,11-tetra­aza­cyclo­tetra­decane, C(10)H(24)N(4)), has been determined from synchrotron X-ray data. The asymmetric unit contains one [Cr(NCS)(2)(cyclam)](+) cation and one bromide anion. The Cr(III) ion of the comp...

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Detalles Bibliográficos
Autores principales: Moon, Dohyun, Choi, Jong-Ha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8061105/
https://www.ncbi.nlm.nih.gov/pubmed/33953940
http://dx.doi.org/10.1107/S2056989021001055
Descripción
Sumario:The crystal structure of the title complex, cis-[Cr(NCS)(2)(cyclam)]Br (cyclam = 1,4,8,11-tetra­aza­cyclo­tetra­decane, C(10)H(24)N(4)), has been determined from synchrotron X-ray data. The asymmetric unit contains one [Cr(NCS)(2)(cyclam)](+) cation and one bromide anion. The Cr(III) ion of the complex cation is coordinated by the four N atoms of the cyclam ligand and by two N-coordinating NCS groups in a cis arrangement, displaying a distorted octa­hedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.075 (3) to 2.081 (3) Å while the average Cr—N(NCS) bond length is 1.996 (16) Å. The macrocyclic cyclam moiety adopts the most stable cis-V conformation. The crystal structure is stabilized by inter­molecular hydrogen bonds involving the cyclam N—H groups as donor groups, and the bromide anion and the S atom of one of the NCS ligands as acceptor groups.