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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-tetra-aza-tri-cyclo-[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 mol-ecule. The Cu II atom in the first complex exists in a tetra-gonally distorted octa-hedral 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 nitro-gen 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 inter-molecular hydrogen bonds involving the macrocycle N-H or C-H groups and the O-H groups of water mol-ecules as donor groups, and the O atoms of water mol-ecules and bromide anions as acceptor groups, giving rise to a one-dimensional network extending parallel to [100].

acta crystallographica. section e, crystallographic communications

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