title: Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa-aza-cyclo-tetra-decane-κ(4) N (3),N (6),N (10),N (13))bis-(perchlorato-κO)copper(II) from synchrotron data.
abstract: 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 Cu(II) complex as the Cu(II) 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 tetra-gonally distorted octa-hedral 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]. Intra-molecular N-H⋯O hydrogen bonds between the macrocyclic ligand and uncoordinating O atoms of the perchlorate ligand stabilize the mol-ecular structure. In the crystal structure, an extensive series of inter-molecular N-H⋯O and C-H⋯O hydrogen bonds generate a three-dimensional network.
authors: Beamline Department, Pohang Accelerator Laboratory/POSTECH 80, Pohang 790-784, South Korea.
authors: Dae-Woong
authors: DW
authors: Kim
authors: Beamline Department, Pohang Accelerator Laboratory/POSTECH 80, Pohang 790-784, South Korea.
authors: Jong Won
authors: JW
authors: Shin
authors: Beamline Department, Pohang Accelerator Laboratory/POSTECH 80, Pohang 790-784, South Korea.
authors: Dohyun
authors: D
authors: Moon
keywords: Crystal structure; Jahn–Teller distortion; aza­macrocyclic ligand; hydrogen bonds; synchrotron data