title: Layered Calcium Structures of p-Phosphonic Acid O-Methyl-Calix[6]arene.
abstract: Hexamethoxy-calix[6]arene has been fully functionalized with p-phosphonic acid groups on the upper rim in 57% yield over three steps, and has been authenticated in the solid state by X-ray diffraction as either a nitrate salt or one of two calcium complexes. The latter differ by the ratio of calcium ions per calixarene, either 3:1 or 4:1. In both structures the coordination sphere of the calcium ions is made up of oxygen atoms from the phosphonic acid groups and from water of crystallization, as part of extended polymeric layers in the extended 3D packing. Hirshfeld surface analysis shows extensive O...H and O...Ca interactions for the phosphonic acid moieties in both calcium structures. MALDI-TOF MS of the hexaphosphonic acid shows nano-arrays consisting of up to a maximum of 28 calixarene units.
authors.affiliation: Centre for Strategic Nano-Fabrication, School of Biomedical, Biomolecular and Chemical Sciences, University of Western Australia, 35 Stirling Hwy, Crawley, W.A. 6009, Australia.
authors.forename: Thomas E
authors.initials: TE
authors.lastname: Clark
authors.forename: Adam
authors.initials: A
authors.lastname: Martin
authors.forename: Mohamed
authors.initials: M
authors.lastname: Makha
authors.forename: Alexandre N
authors.initials: AN
authors.lastname: Sobolev
authors.forename: Dian
authors.initials: D
authors.lastname: Su
authors.forename: Henry W
authors.initials: HW
authors.lastname: Rohrs
authors.forename: Michael L
authors.initials: ML
authors.lastname: Gross
authors.forename: Colin L
authors.initials: CL
authors.lastname: Raston