Abstract
Abstract 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)perchlorate, [Cu(S-mac6)Cl]ClO4, has been determined by X-ray analysis. Crystal data: C18H36N4O4Cl2Cu is orthorhombic, space group P212121, 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-N sec of 2.005(5) and Cu-N tert of 2.060(4) A, and a square-based pyramidal geometry is completed by a chloride ion, Cu-Cl 2.711(2)A. 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.
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