Crystal and molecular structure of (5,5,8,8,13,13,16,16-octamethyl-1,4,9,12-tetraazacyclohexadeca-1,3,9,11-(tetraene)copper(I) perchlorate. A model for the entatic state in blue copper proteins
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This paper presents the first simple Cu(I) model of the entatic state of blue copper proteins, with extensive distortion from the preferred 90° dihedral angle between the donor atoms around the metal center. The synthesis and structure of the macrocyclic complex (5, 5, 8, 8, 13, 13, 16, 16-octamethyl-1, 4, 9, 12-tetraazacyclohexadeca-1, 3, 9, 11-tetraene)copper(I) perchlorate, [Cu(Me8-teteneN4)]ClO4, are described. The complex, Mr = 495.53, crystallizes in the space group P21/n with a = 10.912 (2) Å, b = 16.876 (3) Å, c = 13.149 (2) Å, β = 97.92 (2)°, and V = 2398 (1) Å3. The dihedral angle between the N1-Cu-N2 and N3-Cu-N4 planes is 56.7°. The macrocyclic ligand is insufficiently flexible to permit the preferred tetrahedral angle between the coordinate bonds of Cu(I) and the preferred 90° dihedral angles between the N-Cu-N planes. The Cu(I) complex was oxidized to the corresponding Cu(II) complex, [Cu(Me8teteneN4)](ClO4)2. © 1988, American Chemical Society. All rights reserved.
author list (cited authors)
Timmons, J. H., Martin, J., Martell, A. E., Rudolf, P. R., & Clearfield, A.