Data for Exploring the synthesis and coordination chemistry of pentafluorophenylcopper : organocopper polyanions and coordination networks

Murray-Watson, Rebecca J. and Pike, Sebastian D. (2020) Data for Exploring the synthesis and coordination chemistry of pentafluorophenylcopper : organocopper polyanions and coordination networks. [Dataset]

	Archive (ZIP) (Zip archive) Dataset to support article Exploring the Synthesis and Coordination Chemistry of Pentafluorophenyl-Copper Organocopper Polyanions and Coordination Networks.zip - Unspecified Version Available under License Creative Commons Attribution 4.0. Download (52MB)
	Plain Text (Readme file) Readme (1).txt - Published Version Available under License Creative Commons Attribution 4.0. Download (609B)

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Abstract

[Cu-C6F5]4 is a thermally stable and soluble compound with suitable reactivity for synthetic applications in organic and inorganic chemistry. Here the synthesis of [Cu-C6F5]4 is explored in different solvents and followed by in-situ 19F NMR spectroscopy. The importance of solvent choice during the synthesis from Grignard reagent C6F5MgBr is highlighted, with a range of magnesium cuprate species identified and isolated when THF is used as solvent (rather than Et2O), including [Cu(C6F5)2]– and the remarkable organocopper polyanion ([Cu5(C6F5)7]2–)∞. The coordination chemistry of [Cu-C6F5]4 with 1,4-dioxane is investigated in solution and in the solid state, with an extended coordination network, [Cu-C6F5]4(dioxane),structurally resolved for the first time. This structure reveals interwoven linear and zig-zag chains featuring dioxane donors unusually coordinating to adjacent Cu sites of some of the [Cu-C6F5]4 tetramers.

Item Type:	Dataset
Subjects:	Q Science > QD Chemistry
Divisions:	Faculty of Science, Engineering and Medicine > Science > Chemistry
Type of Data:	Experimental data
Library of Congress Subject Headings (LCSH):	Organocopper compounds -- Synthesis, Chemistry, Organic, Chemical reactions
Publisher:	Department of Chemistry
Official Date:	14 October 2020
Dates:	Date Event 14 October 2020 Published 5 September 2020 Created
Status:	Not Peer Reviewed
Publication Status:	Published
Media of Output (format):	.csv .mnova .pdf .opj
Access rights to Published version:	Open Access (Creative Commons open licence)
Copyright Holders:	University of Warwick
Description:	Data record consists of a zip archive and an accompanying readme file. Luminescence folder contains (excel) data for luminescence spectra of compound 4 excited with wavelength of 300 or 350 nm. NMR Spectra folder contains 19F, 1H and 13C data for compounds listed in the publication. Data files can be opened in MNova. Also contains details of DOSY NMR experiments generated from Brukers dynamics center printed as PDFs. Powder XRD folder contains powder X-ray diffraction data and can be opened with Origin.
Date of first compliant deposit:	19 October 2020
Date of first compliant Open Access:	19 October 2020
RIOXX Funder/Project Grant:	Project/Grant ID RIOXX Funder Name Funder ID Herchel Smith Postdoctoral research Fellowship University of Cambridge http://viaf.org/viaf/153568718 URF\R1\191458 Royal Society http://dx.doi.org/10.13039/501100000288
Related URLs:	Related item in WRAP Other
Contributors:	Contribution Name Contributor ID Depositor Pike, Sebastian D. 96790
URI:	https://wrap.warwick.ac.uk/142631/

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