A Database of Topological Representations of Polynuclear Nickel Compounds

Abstract

All coordination clusters containing five or more Ni centers (CCDC v. 5.33, Nov. 2011) were analyzed by a recently developed automatic method that identified 318 compounds adopting 126 topologically different motifs. A database was created in which all of the Ni compounds are collected and [a]520 illustrated in such a way that it can be searched by cluster topological symbol and nuclearity, compound name, year, and Refcode, as well as by their representation in the Protein Data Bank. Structural comparisons and applications to show the advantages of this method are also presented.

Novel Cage-Like Hexanuclear Nickel(II) Silsesquioxane. Synthesis, Structure, and Catalytic Activity in Oxidations with Peroxides

“…Following the procedure of a metal cluster notation [22] implemented into the ToposPro package (the Samara Center for Theoretical Materials Science, Samara, Russia) [23] we obtained that nickel atoms in compound 1 form in terms of the N D k-m notation the discrete 5 M 6-1 clusters, where 5 is the coordination number of topologically non-equivalent nodes, M denotes a discrete cluster, 6 is the number of metal atoms in the cluster, and 1 is a classification number to distinguish topologically-distinct clusters with equal NDk parameters. A database of topological representations of polynuclear nickel compounds [24] contains representatives of the nickel clusters with the 5 M 6-1 topology, and μ 6 -coordinated Hal − and S 2− anions; recently, some of us have synthesized a nickel-silsesquioxane encapsulating the O 2− anion [13]. Nevertheless, to our knowledge, complex 1 is only the sixth known representative of Ni 6 clusters with the 5 M 6-1 topology.…”

Topological insights in polynuclear Ni/Na coordination clusters derived from a schiff base ligand

“…Paramagnetic transition metal CCs are of intense interest and have attracted a vast amount of attention since the discovery that some CCs behave as single-molecule magnets (SMMs) [19][20][21]. The Ni II (d8) ion has second-order orbital angular momentum, and zerofield splitting (ZFS) which can result in significant singleion anisotropy and potentially in molecules exhibiting interesting magnetic properties [22,23]. The interest in polynuclear Ni(II) coordination chemistry was first captured when the first Ni(II)-based SMM, a Ni 12 complex, was reported in 2001 by Cadiou et al [24].…”

A Ni11 Coordination Cluster from the Use of the Di-2-Pyridyl Ketone/Acetate Ligand Combination: Synthetic, Structural and Magnetic Studies

“…While the number of high-nuclearity, non-organometallic complexes of nickel(II) with O-and/or N-based ligands and without metal-metal bonding continues to grow rapidly [11,15,[29][30][31][32][33] (the record nuclearity is 26 [29]), some nuclearities remain rare. Undecanuclear nickel(II) complexes are particularly rare, and complex 1 thus becomes a new member of the small family of Ni 11 clusters [34][35][36][37][38]; the metal topology and core of 1 are novel.…”