title: Structural Analysis of All the Nickel 14-Membered Tetraaza Macrocycles in the Cambridge Structural Database.
abstract: 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.
authors.affiliation: Chemistry Department, Connecticut College, New London, Connecticut 06320.
authors.forename: Maria A.
authors.initials: MA
authors.lastname: Donnelly
authors.forename: Marc
authors.initials: M
authors.lastname: Zimmer