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[16]-teteneN4)]ClO4, are described. The complex, Mr = 495.53, crystallizes in the space group P21/n with a = 10.912 (2) , b = 16.876 (3) , c = 13.149 (2) , = 97.92 (2), and V = 2398 (1) 3. 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(Me8[16]teteneN4)](ClO4)2. 1988, American Chemical Society. All rights reserved.
