Research Data Leeds Repository

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

Citation

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/10.5518/1361¹

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 Chemistry2
Related resources:	Location Type https://doi.org/10.1021/acs.inorgchem.3c016673 Publication https://eprints.whiterose.ac.uk/200082/4 Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	08 Jun 2023 12:16
URI:	https://archive.researchdata.leeds.ac.uk/id/eprint/11145
Additional details Additional details Creators or authors: 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/0000-0002-3855-45306 University of Leeds https://ror.org/024mrxd33 ror Halcrow, Malcolm A. https://orcid.org/0000-0001-7491-90347 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 Metadata language: English Research project title: Switchable molecular crystals Publisher: University of Leeds Contact email: m.a.halcrow@leeds.ac.uk8 Last Modified: 03 Dec 2024 15:44

Files

Documentation

compound naming and metadata [749kB] 9 compound naming and metadata [749kB] 10 compound naming and metadata [749kB] 11 Security: Anyone File name: readme.pdf12 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] 13 Elemental microanalysis [3MB] 14 Elemental microanalysis [3MB] 15 Security: Anyone File name: microanalysis.zip16 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] 17 Electrospray mass spectra [359kB] 18 Electrospray mass spectra [359kB] 19 Security: Anyone File name: ESMS.zip20 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] 21 NMR spectra [1MB] 22 NMR spectra [1MB] 23 Security: Anyone File name: NMR.zip24 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] 25 Single crystal X-ray diffraction [5MB] 26 Single crystal X-ray diffraction [5MB] 27 Security: Anyone File name: crystal.zip28 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] 29 X-ray powder diffraction [31kB] 30 X-ray powder diffraction [31kB] 31 Security: Anyone File name: XRPD.zip32 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] 33 UV-visible and fluorescence spectra [283kB] 34 UV-visible and fluorescence spectra [283kB] 35 Security: Anyone File name: UVvis.zip36 Content type: Data Description: Raw data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 283kB

• 1. https://doi.org/10.5518/1361
• 2. https://archive.researchdata.leeds.ac.uk/view/divisions/CHEM/
• 3. https://doi.org/10.1021/acs.inorgchem.3c01667
• 4. https://eprints.whiterose.ac.uk/200082/
• 5. https://archive.researchdata.leeds.ac.uk/id/eprint/1114
• 6. https://orcid.org/0000-0002-3855-4530
• 7. https://orcid.org/0000-0001-7491-9034
• 8. mailto:m.a.halcrow@leeds.ac.uk
• 9. https://archive.researchdata.leeds.ac.uk/1114/1/readme.pdf
• 10. https://archive.researchdata.leeds.ac.uk/1114/1/readme.pdf
• 11. https://archive.researchdata.leeds.ac.uk/1114/1/readme.pdf
• 12. https://archive.researchdata.leeds.ac.uk/1114/1/readme.pdf
• 13. https://archive.researchdata.leeds.ac.uk/1114/2/microanalysis.zip
• 14. https://archive.researchdata.leeds.ac.uk/1114/2/microanalysis.zip
• 15. https://archive.researchdata.leeds.ac.uk/1114/2/microanalysis.zip
• 16. https://archive.researchdata.leeds.ac.uk/1114/2/microanalysis.zip
• 17. https://archive.researchdata.leeds.ac.uk/1114/3/ESMS.zip
• 18. https://archive.researchdata.leeds.ac.uk/1114/3/ESMS.zip
• 19. https://archive.researchdata.leeds.ac.uk/1114/3/ESMS.zip
• 20. https://archive.researchdata.leeds.ac.uk/1114/3/ESMS.zip
• 21. https://archive.researchdata.leeds.ac.uk/1114/4/NMR.zip
• 22. https://archive.researchdata.leeds.ac.uk/1114/4/NMR.zip
• 23. https://archive.researchdata.leeds.ac.uk/1114/4/NMR.zip
• 24. https://archive.researchdata.leeds.ac.uk/1114/4/NMR.zip
• 25. https://archive.researchdata.leeds.ac.uk/1114/5/crystal.zip
• 26. https://archive.researchdata.leeds.ac.uk/1114/5/crystal.zip
• 27. https://archive.researchdata.leeds.ac.uk/1114/5/crystal.zip
• 28. https://archive.researchdata.leeds.ac.uk/1114/5/crystal.zip
• 29. https://archive.researchdata.leeds.ac.uk/1114/6/XRPD.zip
• 30. https://archive.researchdata.leeds.ac.uk/1114/6/XRPD.zip
• 31. https://archive.researchdata.leeds.ac.uk/1114/6/XRPD.zip
• 32. https://archive.researchdata.leeds.ac.uk/1114/6/XRPD.zip
• 33. https://archive.researchdata.leeds.ac.uk/1114/7/UVvis.zip
• 34. https://archive.researchdata.leeds.ac.uk/1114/7/UVvis.zip
• 35. https://archive.researchdata.leeds.ac.uk/1114/7/UVvis.zip
• 36. https://archive.researchdata.leeds.ac.uk/1114/7/UVvis.zip