2026-10-14T15:53:12Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33817465 2026-09-15T18:30:14Z portal_1197 item_type_3 month_year_09_2026

Data for Cu(III)–bis-thiolato complex forms an unusual mono-thiolato Cu(III)–peroxido adduct Jane M. Donnelly (24951568) Frederik Lermyte (1496347) Juliusz A. Wolny (2713129) M. Walker (1291794) B. G. Breeze (24951571) Russell J. Needham (11415074) C. S. Müller (24951574) Peter B. O'Connor (2535301) Volker Schünemann (2653030) Joanna F. Collingwood (1311405) Peter J. Sadler (1297341) Copper enzymes -- Synthesis Ligands (Biochemistry) Thiolates Migrated from ePrints The novel stable complex [bis(toluene-3,4-dithiolato)copper(III)][NEt3H] has been synthesised and characterised as a square-planar Cu(III) complex by X-ray photoelectron spectroscopy, cyclic voltammetry and DFT calculations. Intriguingly, when fragmented in FTICR-MS, an unusual [(toluene-3,4-dithiolate)Cu(III)(peroxide)]- complex formed by reaction with oxygen. Natural 1,2-dithiolenes known to bind molybdenum might stabilise Cu(III) in vivo.<br><br>Data record consists of two excel sheets. The sheet "Raw data ESI" contains raw data for the spectra presented in the ESI. The sheet "Raw data Figure 1 - XPS and DFT" contains raw data for figure 1 in the associated publication. 2026-09-15T18:30:14Z Dataset Dataset 10.82444/warw.33817465.v1 https://figshare.com/articles/dataset/Data_for_Cu_III_bis-thiolato_complex_forms_an_unusual_mono-thiolato_Cu_III_peroxido_adduct/33817465 CC BY 4.0