Abstract
The cage selectively encapsulates Li + , and the inclusion [LiL] + complex formation equilibrium has been investigated by potentiometry (log K=4.8) and 7 Li NMR techniques. The molecular structure of the complex [LiL] [ClO 4 ] has been determined by single-crystal X-ray analysis. The compound crystallizes in a monoclinic unit cell (space group P2 1 /n) with lattice constants a=15.046 (11) A, b=8.893 (4) A, c=15.305 (8) A, and β=113.58 (4)°, with Z=4. Least-squares refinement converged at R=0.065 for 1385 observed reflections of I>3 σ(I). Li + is wholly enclosed in the cage cavity and adopts a five-coordinate geometry, with a short Li-N mean distance of 2.04 A. The molecular structure of the complex [CuL] [Br 2 ]•3H 2 O has been determined by single-crystal X-ray analysis. The compound crystallises in an orthorhombic unit cell (space group Cmc2 1 ) with lattice constants a=11.629 (1) A, b=13.031 (1) A, and c=14.702 (1) A, with Z=4. Least-squares refinement converged at R=0.068 for 542 observed reflections of I>3 σ (I)
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