Abstract.[CuBr(C18H 12N4 Mo Ka, A = 0-71073/~, /z = 14.04 cm-1, F(000) = 4456, T = 294 K, R = 0.0523 for 3418 observed reflections. The title compound is the product of a side reaction in the bromo-induced oxidation of a copper/dpq system. Two dpq ligands are bonded to copper in a bidentate fashion; one is bonded only through pyridyl N atoms, while the other bonds through one pyridyl and one quinoxaline N atom. A third dpq molecule is not involved in bonding to copper nor in any other intermolecular or ionic interactions. The coordination sphere of the Cu atom has a distorted square pyramidal geometry, with the ligand N atoms forming the basal plane and the Br atom occupying the apical position.)Experimental. Green parallelepiped crystal of (1) obtained by slow evaporation of an ethanol solution, dimensions 0.20 x 0.25 x 0.38 mm. Data collected at room temperature, graphite-monochromated Mo Ka radiation, Nicolet R3mV diffractometer, to scans of 2-15°min -1, 20max =45 °, h= -29 to 29, k=0 to 15, l = 0 to 30, 6892 measurements, 6131 unique (Ri,t = 0.076), 3418 observed [I> 3or(/)]. Unit-cell dimensions determined by least-squares fit to settings for 29 reflections (16 < 20 < 30°). Empirical absorption correction (/z --14.04 cm-~), transmission factors 0.88-1.00; three standards monitored ( _+ 2%), 66.9 h of X-ray exposure. Solved by the Patterson method; full-matrix least-squares refinement on F, R =
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