Issue 4, 1990

Crystallographic and molecular mechanics study of the copper perchlorate complex of a larger reinforced macrocycle

Abstract

The crystal structure of the five-co-ordinate copper(II) complex of 7-methyl-7-nitro-1,5,9,13-tetraazabicyclo[11.2.2]heptadecane, [CuL7(H2O)][ClO4]2·H2O, has been determined. The blue crystals crystallised in the orthorhombic space group Pbca with a= 14.625(4), b= 19.083(2), and c= 17.476(4)Å, Z= 8, and R= 0.059. The copper ion is co-ordinated to four macrocyclic nitrogen atoms with an average Cu–N distance of 2.05 Å, and a water molecule occupies an axial co-ordination site with Cu–O 2.22 Å. The conformation and chemical properties of the complex are discussed with the aid of molecular mechanics calculations.

Article information

Article type
Paper

J. Chem. Soc., Dalton Trans., 1990, 1323-1327

Crystallographic and molecular mechanics study of the copper perchlorate complex of a larger reinforced macrocycle

P. W. Wade and R. D. Hancock, J. Chem. Soc., Dalton Trans., 1990, 1323 DOI: 10.1039/DT9900001323

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