Metal distribution and disorder in the crystal structure of [NH2Et2][Cr7MF8(tBuCO2)16] wheel molecules for M = Mn, Fe, Co, Ni, Cu, Zn and Cd

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dc.contributor.authorLarsen, FKen_AU
dc.contributor.authorOvergaard, Jen_AU
dc.contributor.authorChristensen, Men_AU
dc.contributor.authorMcIntyre, GJen_AU
dc.contributor.authorTimco, GAen_AU
dc.contributor.authorWinpenny, REPen_AU
dc.date.accessioned2016-09-14T00:44:00Zen_AU
dc.date.available2016-09-14T00:44:00Zen_AU
dc.date.issued2014-12en_AU
dc.date.statistics2016-09-14en_AU
dc.description.abstractThe homometallic wheel compound [Cr8F8(O2CCMe3)16] formed with fluorine and pivalic acid ligands can be modified by introducing in the synthesis process a divalent cation M capable of octahedral coordination instead of one of the trivalent Cr centres in the ring. Heterometallic mono-anionic species [Cr7MF8(O2CCMe3)16]− can form diethylammonium salts and be crystallized from ethylacetate solution as compounds with the general formula [NH2Et2][Cr7MF8(tBuCO2)16][C4H8O2]0.5 for M = Mn, Fe, Co, Ni, Cu, Zn and Cd. Their structures are isomorphous, belonging to the space group P21/c. The study has determined the degree of order for the individual M heterometal over the possible metal positions of the ring in the crystal structure by modelling based on X-ray diffraction data. The model took into account disorder in tert-butyl groups of the pivalate ligands and in the position and orientation of the ethylacetate solvent molecule. The heterometal turned out to be partly ordered in the crystal structure. © 2014, International Union of Crystallography.en_AU
dc.identifier.citationLarsen, F. K., Overgaard, J., Christensen, M., McIntyre, G. J., Timco, G., & Winpenny, R. E. P. (2014). Metal distribution and disorder in the crystal structure of [NH2Et2][Cr7MF8(tBuCO2)16] wheel molecules for M = Mn, Fe, Co, Ni, Cu, Zn and Cd. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 70(6), 932-941. doi:10.1107/S2052520614019179en_AU
dc.identifier.govdoc7080en_AU
dc.identifier.issn0365-110Xen_AU
dc.identifier.issue6en_AU
dc.identifier.journaltitleActa Crystallographica Section B: Structural Science, Crystal Engineering and Materialsen_AU
dc.identifier.pagination932-941en_AU
dc.identifier.urihttp://dx.doi.org/10.1107/S2052520614019179en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/7497en_AU
dc.identifier.volume70en_AU
dc.language.isoenen_AU
dc.publisherInternational Union of Crystallographyen_AU
dc.subjectCrystal structureen_AU
dc.subjectMetalsen_AU
dc.subjectLigandsen_AU
dc.subjectCationsen_AU
dc.subjectFluorineen_AU
dc.subjectMoleculesen_AU
dc.titleMetal distribution and disorder in the crystal structure of [NH2Et2][Cr7MF8(tBuCO2)16] wheel molecules for M = Mn, Fe, Co, Ni, Cu, Zn and Cden_AU
dc.typeJournal Articleen_AU
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