Abstract
The solid state conformations of complexes containing the ligands 2,4,4-trimethyl-1,5,9-triazacyclododec-1-ene (Me3[12]N3) and its 9-methyl derivative (Me4[12]N3) have been studied using principal component analysis. Three clusters of conformations are observed. The most populated has chair-like conformations in the two six-membered rings that do not contain the CN bond. The coordination geometry in five-coordinate complexes containing the above ligands is always closer to square pyramidal than to trigonal bipyramidal. The synthesis and characterization of two new pentacoordinate nickel(II) complexes [Ni(Me3[12]N3)(6-Cl-2-pyridonato)][ClO4] (1) and [Ni(Me4[12]N3)(6-Me-2-pyridonato)][PF6] (2) are reported. The structures of both compounds have been elucidated by single crystal X-ray diffraction and show the square pyramidal coordination at the Ni atoms.
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