Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0 7,12 ]docosane)copper(II) (3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0 7,12 ]docosane)copper(II) tetrabromide dihydrate, [Cu(C 22 H 44 N 4 )(H 2 O) 2 ][Cu(C 22 H 44 N 4 )]Br 4 ·2H 2 O

• Published in: Acta crystallographica. Section E, Crystallographic communications Vol. 77; no. 6; pp. 677 - 680
• Main Authors: Moon, Dohyun, Jeon, Sunghwan, Lim, Woo Taik, Ryoo, Keon Sang, Choi, Jong-Ha
• Format: Journal Article
• Language: English
• Published: 01.06.2021
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S205698902100551X

The crystal structure of the new double Cu II complex salt, [Cu( L )(H 2 O) 2 ][Cu( L )]Br 4 ·2H 2 O ( L = 3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0 7,12 ]docosane, C 22 H 44 N 4 ) has been determined using synchrotron radiation. The asymmetric unit contains one half of a [Cu( L )(H 2 O) 2 ] 2+ cation, one half of a [Cu( L )] 2+ cation (both completed by crystallographic inversion symmetry), two bromide anions and one water solvent molecule. The Cu II atom in the first complex exists in a tetragonally distorted octahedral environment with the four N atoms of the macrocyclic ligand in equatorial and two aqua ligands in axial positions, whereas the Cu II atom in the second complex exists in a square-planar environment defined by the four nitrogen atoms of the macrocyclic ligand. The two macrocyclic rings adopt the most stable trans -III configuration with normal Cu—N bond lengths from 2.016 (3) to 2.055 (3) Å and an axial Cu—O bond length of 2.658 (4) Å. The crystal structure is stabilized by intermolecular hydrogen bonds involving the macrocycle N—H or C—H groups and the O—H groups of water molecules as donor groups, and the O atoms of water molecules and bromide anions as acceptor groups, giving rise to a one-dimensional network extending parallel to [100].