Research Data Leeds Repository

Data to support study of The Effect of Tether Groups on the Spin States of Iron(II)/Bis[2,6-Di(pyrazol-1-yl)pyridine] Complexes

Citation

Halcrow, Malcolm A. and Capel Berdiell, Izar and García-López, Víctor and Howard, Mark J. and Clemente-León, Miguel (2021) Data to support study of The Effect of Tether Groups on the Spin States of Iron(II)/Bis[2,6-Di(pyrazol-1-yl)pyridine] Complexes. University of Leeds. [Dataset] https://doi.org/10.5518/986¹

Dataset description

The spin states of iron(II) complexes of 1-bpp derivatives bearing tether group substituents are controlled by the electronic properties of the linker functional group.

Keywords:	iron; N-donor ligands; X-ray crystallography; magnetic measurements
Subjects:	F000 - Physical sciences > F100 - Chemistry2
Divisions:	Faculty of Engineering and Physical Sciences > School of Chemistry3
Related resources:	Location Type https://doi.org/10.1039/D1DT01076J4 Publication https://eprints.whiterose.ac.uk/173715/5 Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	12 May 2021 08:15
URI:	https://archive.researchdata.leeds.ac.uk/id/eprint/8396
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 Halcrow, Malcolm A. https://orcid.org/0000-0001-7491-90347 University of Leeds https://ror.org/024mrxd33 ror Capel Berdiell, Izar https://orcid.org/0000-0003-3828-70978 University of Leeds https://ror.org/024mrxd33 ror García-López, Víctor https://orcid.org/0000-0001-7090-60419 Universidad de Valencia https://ror.org/043nxc105 ror Howard, Mark J. https://orcid.org/0000-0002-0762-288710 University of Leeds https://ror.org/024mrxd33 ror Clemente-León, Miguel https://orcid.org/0000-0003-3868-107811 Universidad de Valencia https://ror.org/043nxc105 ror Type of data: Dataset Research funders: Leverhulme Trust, Royal Society of Chemistry Grant numbers: RPG-2015-095, RM1602-2118 Publication date: 2021 Resource language: English Metadata language: English Research project title: Exploiting a spin-crossover module, Researcher Mobility Grant Publisher: University of Leeds Contact email: m.a.halcrow@leeds.ac.uk12 Last Modified: 08 Jan 2025 15:02

Files

Documentation

compound naming and metadata [523kB] 13 compound naming and metadata [523kB] 14 compound naming and metadata [523kB] 15 Security: Anyone File name: readme.pdf16 Content type: Documentation Mime-Type: application/pdf License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 523kB

Data

Elemental microanayses [360kB] 17 Elemental microanayses [360kB] 18 Elemental microanayses [360kB] 19 Security: Anyone File name: microanalysis.zip20 Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 360kB Note: ZIP Format

Single crystal X-ray diffraction [7MB] 21 Single crystal X-ray diffraction [7MB] 22 Single crystal X-ray diffraction [7MB] 23 Security: Anyone File name: crystal.zip24 Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 7MB Note: ZIP Format

Hirshfeld surface analysis [53MB] 25 Hirshfeld surface analysis [53MB] 26 Hirshfeld surface analysis [53MB] 27 Security: Anyone File name: Hirshfeld.zip28 Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 53MB Note: ZIP Format

X-ray powder diffraction [517kB] 29 X-ray powder diffraction [517kB] 30 X-ray powder diffraction [517kB] 31 Security: Anyone File name: XRPD.zip32 Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 517kB Note: ZIP Format

Nuclear magnetic resonance [73MB] 33 Nuclear magnetic resonance [73MB] 34 Nuclear magnetic resonance [73MB] 35 Security: Anyone File name: NMR.zip36 Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 73MB Note: ZIP Format

Magnetic susceptibility measurements [1MB] 37 Magnetic susceptibility measurements [1MB] 38 Magnetic susceptibility measurements [1MB] 39 Security: Anyone File name: SQUID.zip40 Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 1MB Note: ZIP Format

Evans method [135kB] 41 Evans method [135kB] 42 Evans method [135kB] 43 Security: Anyone File name: Evans.zip44 Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 135kB Note: ZIP Format

Mass spectra [794kB] 45 Mass spectra [794kB] 46 Mass spectra [794kB] 47 Security: Anyone File name: ESMS.zip48 Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 794kB Note: ZIP Format

• 1. https://doi.org/10.5518/986
• 2. https://archive.researchdata.leeds.ac.uk/view/subjects/F100.html
• 3. https://archive.researchdata.leeds.ac.uk/view/divisions/CHEM/
• 4. https://doi.org/10.1039/D1DT01076J
• 5. https://eprints.whiterose.ac.uk/173715/
• 6. https://archive.researchdata.leeds.ac.uk/id/eprint/839
• 7. https://orcid.org/0000-0001-7491-9034
• 8. https://orcid.org/0000-0003-3828-7097
• 9. https://orcid.org/0000-0001-7090-6041
• 10. https://orcid.org/0000-0002-0762-2887
• 11. https://orcid.org/0000-0003-3868-1078
• 12. mailto:m.a.halcrow@leeds.ac.uk
• 13. https://archive.researchdata.leeds.ac.uk/839/1/readme.pdf
• 14. https://archive.researchdata.leeds.ac.uk/839/1/readme.pdf
• 15. https://archive.researchdata.leeds.ac.uk/839/1/readme.pdf
• 16. https://archive.researchdata.leeds.ac.uk/839/1/readme.pdf
• 17. https://archive.researchdata.leeds.ac.uk/839/2/microanalysis.zip
• 18. https://archive.researchdata.leeds.ac.uk/839/2/microanalysis.zip
• 19. https://archive.researchdata.leeds.ac.uk/839/2/microanalysis.zip
• 20. https://archive.researchdata.leeds.ac.uk/839/2/microanalysis.zip
• 21. https://archive.researchdata.leeds.ac.uk/839/3/crystal.zip
• 22. https://archive.researchdata.leeds.ac.uk/839/3/crystal.zip
• 23. https://archive.researchdata.leeds.ac.uk/839/3/crystal.zip
• 24. https://archive.researchdata.leeds.ac.uk/839/3/crystal.zip
• 25. https://archive.researchdata.leeds.ac.uk/839/4/Hirshfeld.zip
• 26. https://archive.researchdata.leeds.ac.uk/839/4/Hirshfeld.zip
• 27. https://archive.researchdata.leeds.ac.uk/839/4/Hirshfeld.zip
• 28. https://archive.researchdata.leeds.ac.uk/839/4/Hirshfeld.zip
• 29. https://archive.researchdata.leeds.ac.uk/839/5/XRPD.zip
• 30. https://archive.researchdata.leeds.ac.uk/839/5/XRPD.zip
• 31. https://archive.researchdata.leeds.ac.uk/839/5/XRPD.zip
• 32. https://archive.researchdata.leeds.ac.uk/839/5/XRPD.zip
• 33. https://archive.researchdata.leeds.ac.uk/839/6/NMR.zip
• 34. https://archive.researchdata.leeds.ac.uk/839/6/NMR.zip
• 35. https://archive.researchdata.leeds.ac.uk/839/6/NMR.zip
• 36. https://archive.researchdata.leeds.ac.uk/839/6/NMR.zip
• 37. https://archive.researchdata.leeds.ac.uk/839/7/SQUID.zip
• 38. https://archive.researchdata.leeds.ac.uk/839/7/SQUID.zip
• 39. https://archive.researchdata.leeds.ac.uk/839/7/SQUID.zip
• 40. https://archive.researchdata.leeds.ac.uk/839/7/SQUID.zip
• 41. https://archive.researchdata.leeds.ac.uk/839/8/Evans.zip
• 42. https://archive.researchdata.leeds.ac.uk/839/8/Evans.zip
• 43. https://archive.researchdata.leeds.ac.uk/839/8/Evans.zip
• 44. https://archive.researchdata.leeds.ac.uk/839/8/Evans.zip
• 45. https://archive.researchdata.leeds.ac.uk/839/9/ESMS.zip
• 46. https://archive.researchdata.leeds.ac.uk/839/9/ESMS.zip
• 47. https://archive.researchdata.leeds.ac.uk/839/9/ESMS.zip
• 48. https://archive.researchdata.leeds.ac.uk/839/9/ESMS.zip