Structural Analysis of All the Nickel 14-Membered Tetraaza Macrocycles in the Cambridge Structural Database.
One hundred and thirty-nine nickel complexes containing the 1,4,8,11-tetraazacyclotetradecane backbone were found in the Cambridge Structural Database. Cluster analysis was used to separate the structures according to their macrocyclic configurations, using their conformations as a separation criteria. The most commonly found configuration was the trans III configuration. The amount of trans I macrocycles relative to trans III macrocycles was found to be higher for square-planar complexes than octahedral ones. Molecular mechanical conformational searches were done for select structures found in the Cambridge Structural Database.
Donnelly
Maria A.
MA
Chemistry Department, Connecticut College, New London, Connecticut 06320.
Zimmer
Marc
M