Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ4N3,N6,N10,N13)bis­(perchlorato-κO)copper(II) from synchrotron data

Acta Crystallographica Section E: Crystallographic Communications

Kim, D.-W.¹  Moon, D.¹  Shin, J.W.¹ 

[1]Beamline Department, Pohang Accelerator Laboratory/POSTECH 80, Pohang 790-784, South Korea

关键词: CRYSTAL STRUCTURE;    AZAMACROCYCLIC LIGAND;    JAHN-TELLER DISTORTION;    SYNCHROTRON DATA;    HYDROGEN BONDS;   

DOI  :  10.1107/S2056989014028047

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The structure of the title compound, [Cu(ClO4)2(C16H38N6)] has been determined from synchrotron data, λ = 0.62988 Å. The asymmetric unit comprises one half of the CuII complex as the CuII cation lies on an inversion center. It is coordinated by the four secondary N atoms of the macrocyclic ligand and the mutually trans O atoms of the two perchlorate ions in a tetra­gonally distorted octa­hedral geometry. The average equatorial Cu—N bond length is significantly shorter than the average axial Cu—O bond length [2.010 (4) and 2.569 (1) Å, respectively]. Intra­molecular N—H⋯O hydrogen bonds between the macrocyclic ligand and uncoordinating O atoms of the perchlorate ligand stabilize the mol­ecular structure. In the crystal structure, an extensive series of inter­molecular N—H⋯O and C—H⋯O hydrogen bonds generate a three-dimensional network.

【 授权许可】

CC BY