Chiral metal complexes. 45*. the structure of chloro-{6s,15s-(4r,13r-dimethyl)-1,5,10,14 tetraazatricyclo-[13,3,1,16,10]eicosane}copper(ii)

Robert J. Lancashire, Paul D. Newman, Frederick S. Stephens, Robert S. Vagg, Peter A. Williams

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    The crystal and molecular structure of chloro-{6S,15S-(4R, 13R-dimethyl)-1,5,10,14-tetraazatricyclo[13,3,1,16.10]eicosane}copper(II)pcrchlorate, [Cu(S-mac6)Cl]ClO4, has been determined by X-ray analysis. Crystal data: C18H36N4O4Cl2 cu is orthorhombic, space group P212,21, a = 11.915(2), b = 12.290(2), c = 15.705(6) A Z = 4. The structure was refined by full-matrix least squares procedures to R = 0.040 for 2477 unique non-zero (I> 1.5σ(I)) reflections and with η = 1.02(7) confirming the absolute configurations of the chiral centres. The N4 macrocycle coordinates to the copper atom in a square-planar arrangement with Cu-Nsec of 2.005(5) and Cu-Nter of 2.060(4) Å, and a square-based pyramidal geometry is completed by a chloride ion, Cu-Cl 2.711 (2)Å. Folding of the non-chelate six-membered rings produces a conformation such that only one face of the complex ion is available for axial coordination of unidentate ligands.

    Original languageEnglish
    Pages (from-to)339-343
    Number of pages5
    JournalJournal of Coordination Chemistry
    Issue number4
    Publication statusPublished - 1995


    • chiral macrocycle
    • Cu(II) complex
    • steric crowding
    • X-ray analysis


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