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Instruments / Technical Area	Publication Details	Published
I19-Small Molecule Single Crystal Diffraction	Guest binding drives host redistribution in libraries of CoII4L4 cages Marion Kieffer , Rana A. Bilbeisi , John D. Thoburn , Jack K. Clegg , Jonathan Nitschke Angewandte Chemie International Edition DOI: 10.1002/anie.202004627 Diamond Proposal Number(s): [6791] Open Access Show Abstract ▼ Abstract: Two Co II 4 L 4 tetrahedral cages prepared from similar building blocks showed contrasting host‐guest properties. One cage did not bind guests, whereas the second encapsulated a series of anions, due to electronic and geometric effects. When the building blocks of both cages were present during self‐assembly, a library of five CoIILAxLB4‐x cages was formed in a statistical ratio in the absence of guests. Upon incorporation of anions able to interact preferentially with some library members, the products obtained were redistributed in favor of the best anion binders. To quantify the magnitudes of these templation effects, ESI‐MS was used to gauge the effect of each template upon library redistribution.	Apr 2020
I19-Small Molecule Single Crystal Diffraction	Selective Assembly and Disassembly of a Water-Soluble Fe 10 L 15 Prism Salvatore Zarra , Jack Clegg , Jonathan R. Nitschke Angewandte Chemie 125 (18), 4937 - 4940 DOI: 10.1002/ange.201209694 Show Abstract ▼ Abstract: Die gleichen Bausteine führten unter verschiedenen Reaktionsbedingungen selektiv zu zwei wasserlöslichen metallorganischen Strukturen, einem Tetraeder und einem pentagonalen Prisma. Nach Zugabe von 4-Methoxyanilin zu einer Mischung der beiden Strukturen wurde das Prisma zu einem einkernigen Komplex abgebaut, und die stabilere Tetraederstruktur blieb erhalten.	Apr 2013
I19-Small Molecule Single Crystal Diffraction	Chain-Reaction Anion Exchange Between Metal-Organic Cages Shucong Ma , Maarten Marinus Johannes Smulders , Yana R. Hristova , Jack Clegg , Tanya Ronson , Salvatore Zarra , Jonathan R. Nitschke Journal Of The American Chemical Society 135 (15) DOI: 10.1021/ja311882h Diamond Proposal Number(s): [6791, 7114] Show Abstract ▼ Abstract: Differential binding affinities for a set of anions were observed between larger (1) and smaller (2) tetrahedral metal–organic capsules in solution. A chemical network could thus be designed wherein the addition of hexafluorophosphate could cause perchlorate to shift from capsule 2 to capsule 1 and triflimide to be ejected from capsule 1 into solution.	Mar 2013
I19-Small Molecule Single Crystal Diffraction	Five Discrete Multi-nuclear Metal-organic Assemblies from One Ligand: Deciphering the Effects of Different Templates Imogen A. Riddell , Yana R. Hristova , Jack K. Clegg , Christopher S. Wood , Boris Breiner , Jonathan R. Nitschke Journal Of The American Chemical Society 135 (7) DOI: 10.1021/ja311285b Diamond Proposal Number(s): [6791] Show Abstract ▼ Abstract: A rigid organic ligand, formed through the subcomponent self-assembly of p-toluidine and 6,6?-diformyl-3,3?-bipyridine, was employed in a systematic investigation into the synergistic and competing effects of metal and anion templation. A range of discrete and polymeric metal-organic complexes were formed, many of which represent structure types that have not previously been observed and whose formation would not be predicted on taking into account solely geometric considerations. These complex structures, capable of binding multiple guests within individual binding pockets, were characterized by NMR, ESI-MS, and single-crystal X-ray diffraction. The factors that stabilize individual complexes and lead to the formation of one over another are discussed.	Jan 2013

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