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Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(5-methyltetra­zolato-κN)nickel(II) from synchrotron data

The structure of the title compound, [Ni(C(2)H(3)N(4))(2)(C(16)H(38)N(6))], has been characterized from synchrotron radiation. The asymmetric unit consists of one half of the Ni(II) complex mol­ecule, which is related to the other half-mol­ecule by an inversion center. The Ni(II) ion is coordinated...

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Detalles Bibliográficos
Autores principales: Kim, Dae-Woong, Shin, Jong Won, Kim, Jin Hong, Moon, Dohyun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384631/
https://www.ncbi.nlm.nih.gov/pubmed/25878811
http://dx.doi.org/10.1107/S2056989015000651
Descripción
Sumario:The structure of the title compound, [Ni(C(2)H(3)N(4))(2)(C(16)H(38)N(6))], has been characterized from synchrotron radiation. The asymmetric unit consists of one half of the Ni(II) complex mol­ecule, which is related to the other half-mol­ecule by an inversion center. The Ni(II) ion is coordinated by four secondary N atoms of the macrocyclic ligand in a square-planar fashion in the equatorial plane and by two N atoms of the 5-methyltetra­zolate anions in axial positions, resulting in a tetra­gonally distorted octa­hedral geometry. The average equatorial Ni—N bond length [2.060 (8) Å] is shorter than the axial Ni—N bond length [2.2183 (11) Å]. An intra­molecular N—H⋯N hydrogen bond between the secondary amine N atom of the macrocyclic ligand and the non-coordinating N atom of the 5-methyltetra­zolate ion stabilizes the mol­ecular structure. Moreover, an inter­molecular N—H⋯N hydrogen bond between the macrocyclic ligand and 5-methyltetra­zolate group gives rise to a supra­molecular sheet structure parallel to the bc plane.