Crystal structure of di­aqua­(3,14-di­ethyl-2,6,13,17-tetra­aza­tri­cyclo­[16.4.0.07,12]docosa­ne)copper(II) (3,14-di­ethyl-2,6,13,17-tetra­aza­tri­cyclo[16.4.0.07,12]docosa­ne)copper(II) tetra­bromide dihydrate, [Cu(C22H44N4)(H2O)2][Cu(C22H44N4)]Br4·2H2O.

The crystal structure of the new double CuII complex salt, [Cu(L)(H2O)2][Cu(L)]Br4·2H2O (L = 3,14-diethyl-2,6,13,17-tetra­aza­tri­cyclo­[16.4.0.07,12]docosane, C22H44N4) has been determined using synchrotron radiation. The asymmetric unit contains one half of a [Cu(L)(H2O)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 CuII 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 CuII 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]. [ABSTRACT FROM AUTHOR]