Research Data Leeds Repository

Data to support Study of Ligand-Directed Metallation of a Gold Pyrazolate Cluster

Smith, Ryan A. and Kulmaczewski, Rafał and Halcrow, Malcolm A (2023) Data to support Study of Ligand-Directed Metallation of a Gold Pyrazolate Cluster. University of Leeds. [Dataset] https://doi.org/10.5518/1361

Dataset description

Metallation of [Aun(L)n] (HL = 3-[pyrid-2-yl]-5-tertbutyl-1H-pyrazole; n = 3 or 4) with AgBF4 yields [Ag2Au4(L)4][BF4]2, where two edges of the Au4 square are spanned by Ag+ ions coordinated to its pendant pyridyl groups.

Keywords:	gold; silver; pyrazolate; metallophilic interactions; X-ray diffraction; fluorescence
Divisions:	Faculty of Engineering and Physical Sciences > School of Chemistry
Related resources:	Location Type https://doi.org/10.1021/acs.inorgchem.3c01667 Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	08 Jun 2023 12:16
URI:	http://archive.researchdata.leeds.ac.uk/id/eprint/1114
Additional details Additional details Creators: Creators ORCID Other ID Email Primary affiliation Primary affiliation ID Primary affiliation ID type Secondary affiliation Secondary affiliation ID Secondary affiliation ID type Smith, Ryan A. University of Leeds https://ror.org/024mrxd33 ror Kulmaczewski, Rafał https://orcid.org/0000-0002-3855-4530 University of Leeds https://ror.org/024mrxd33 ror Halcrow, Malcolm A https://orcid.org/0000-0001-7491-9034 University of Leeds https://ror.org/024mrxd33 ror Type of data: Dataset Research funders: EPSRC Grant numbers: EP/K012568/1 Publication date: 2023 Resource language: English Research project title: Switchable molecular crystals Publisher: University of Leeds Contact Email Address: m.a.halcrow@leeds.ac.uk Last Modified: 08 Jun 2023 22:35

Files

Documentation

compound naming and metadata [749kB] compound naming and metadata [749kB] compound naming and metadata [749kB] Visible to: Anyone File name: readme.pdf Content type: Documentation Mime-Type: application/pdf License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 749kB

Data

Elemental microanalysis [3MB] Elemental microanalysis [3MB] Elemental microanalysis [3MB] Visible to: Anyone File name: microanalysis.zip Content type: Data Description: Analysis results Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 3MB

Electrospray mass spectra [359kB] Electrospray mass spectra [359kB] Electrospray mass spectra [359kB] Visible to: Anyone File name: ESMS.zip Content type: Data Description: Plotted spectra Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 359kB

NMR spectra [1MB] NMR spectra [1MB] NMR spectra [1MB] Visible to: Anyone File name: NMR.zip Content type: Data Description: Raw and processed data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 1MB

Single crystal X-ray diffraction [5MB] Single crystal X-ray diffraction [5MB] Single crystal X-ray diffraction [5MB] Visible to: Anyone File name: crystal.zip Content type: Data Description: SHELXL refinement files Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 5MB

X-ray powder diffraction [31kB] X-ray powder diffraction [31kB] X-ray powder diffraction [31kB] Visible to: Anyone File name: XRPD.zip Content type: Data Description: Exported raw data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 31kB

UV-visible and fluorescence spectra [283kB] UV-visible and fluorescence spectra [283kB] UV-visible and fluorescence spectra [283kB] Visible to: Anyone File name: UVvis.zip Content type: Data Description: Raw data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 283kB