Abstract
The title compound is a mixed valence compound obtained as one of the products of the reaction of Cu(15-ane N4)Br2 with CoBr2·6H2O in water/acetone solvent (15-ane N4=1,4,8,12-tetraazacyclopentadecane). The compound is tetragonal, space group P42/mbc witha=16.675(2)Å,c=13.185(3)Å,V=3666(1)Å3, withZ=8, for pcalc=2.106 g/cc. Refinement of 674 unique observed reflection yielded final values ofR=0.088 andR w=0.083. The compound contains chains of alternating Cu(15-ane N4)2+ cations and CuBr 2−3 anions. The chains run perpendicular to thec axis, and are arranged in alternate layers running parallel toa andb. The chains lie athwart the mirror planes atz=0 andz=1/2, with disorder observed for both the (15-ane N4) rings and the CuBr 2−3 anions. The Cu(II) ion is coordinated by the tetradentate macrocycle to yield an approximate square planar coordination. The CuBr 2−3 anions are nearly planar with Cu−Br(ave.)=2.37Å. Long semi-coordinate Cu(II)...Br bonds of ∼3.0Å link the cations and anions.
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Chen, X., Willett, R.D., Hawks, T. et al. Crystal structure of 1,4,8,12-tetraazacyclopentadecane copper(II) tribromocuprate(I). J Chem Crystallogr 26, 261–265 (1996). https://doi.org/10.1007/BF01677779
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DOI: https://doi.org/10.1007/BF01677779