Please use this identifier to cite or link to this item: https://apo.ansto.gov.au/dspace/handle/10238/7497
Title: 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
Authors: Larsen, FK
Overgaard, J
Christensen, M
McIntyre, GJ
Timco, GA
Winpenny, REP
Keywords: Crystal structure
Metals
Ligands
Cations
Fluorine
Molecules
Issue Date: Dec-2014
Publisher: International Union of Crystallography
Citation: Larsen, 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, 70(6), 932-941. doi:10.1107/S2052520614019179
Abstract: The 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.
Gov't Doc #: 7080
URI: http://dx.doi.org/10.1107/S2052520614019179
http://apo.ansto.gov.au/dspace/handle/10238/7497
ISSN: 0365-110X
Appears in Collections:Journal Articles

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