Research Data Leeds Repository

Data to support Structural Consequences of Different Metal Compositions in the Doped Spin-Crossover Crystals [FezM1−z(bpp)2][BF4]2 (M = Ni, Zn; bpp = 2,6-Bis{pyrazol-1-yl}pyridine)

Citation

Pask, Christopher M. and Kulak, Alexander N. and Halcrow, Malcolm A. (2024) Data to support Structural Consequences of Different Metal Compositions in the Doped Spin-Crossover Crystals [FezM1−z(bpp)2][BF4]2 (M = Ni, Zn; bpp = 2,6-Bis{pyrazol-1-yl}pyridine). University of Leeds. [Dataset] https://doi.org/10.5518/1540¹

Dataset description

The behaviour of the crystallographic unit cell parameters during spin-crossover in [FezM1‒z(bpp)2][BF4]2 (bpp = 2,6-bis{pyrazol-1-yl}pyridine; M = Zn or Ni; 0 < z < 1) depends significantly on the dopant metal ion.

Keywords:	iron; nickel; zinc; spin-crossover; crystal engineering
Divisions:	Faculty of Engineering and Physical Sciences > School of Chemistry2
Related resources:	Location Type https://doi.org/10.1002/ejic.2024003343 Publication https://eprints.whiterose.ac.uk/215079/4 Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	03 Jul 2024 13:48
URI:	https://archive.researchdata.leeds.ac.uk/id/eprint/13045
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 Pask, Christopher M. https://orcid.org/0000-0002-2241-50696 University of Leeds https://ror.org/024mrxd33 ror Kulak, Alexander N. https://orcid.org/0000-0002-2798-93017 University of Leeds https://ror.org/024mrxd33 ror Halcrow, Malcolm A. https://orcid.org/0000-0001-7491-90348 University of Leeds https://ror.org/024mrxd33 ror Type of data: Dataset Publication date: 2024 Resource language: English Metadata language: English Publisher: University of Leeds Contact email: m.a.halcrow@leeds.ac.uk9 Last Modified: 02 Dec 2024 14:42

Files

Documentation

compound naming and metadata [500kB] 10 compound naming and metadata [500kB] 11 compound naming and metadata [500kB] 12 Security: Anyone File name: readme.pdf13 Content type: Documentation Mime-Type: readme.pdf License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 500kB

Data

Scanning electron microscopy and EDX maps [19MB] 14 Scanning electron microscopy and EDX maps [19MB] 15 Scanning electron microscopy and EDX maps [19MB] 16 Security: Anyone File name: EDX.zip17 Content type: Data Description: SEM images Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 19MB

Single crystal X-ray diffraction [4MB] 18 Single crystal X-ray diffraction [4MB] 19 Single crystal X-ray diffraction [4MB] 20 Security: Anyone File name: crystal.zip21 Content type: Data Description: SHELXL refinement files Mime-Type: crystal.zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 4MB

Linear thermal expansion coefficient calculations [3MB] 22 Linear thermal expansion coefficient calculations [3MB] 23 Linear thermal expansion coefficient calculations [3MB] 24 Security: Anyone File name: LTE.zip25 Content type: Data Description: PASCal outputs Mime-Type: DSC.zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 3MB

• 1. https://doi.org/10.5518/1540
• 2. https://archive.researchdata.leeds.ac.uk/view/divisions/CHEM/
• 3. https://doi.org/10.1002/ejic.202400334
• 4. https://eprints.whiterose.ac.uk/215079/
• 5. https://archive.researchdata.leeds.ac.uk/id/eprint/1304
• 6. https://orcid.org/0000-0002-2241-5069
• 7. https://orcid.org/0000-0002-2798-9301
• 8. https://orcid.org/0000-0001-7491-9034
• 9. mailto:m.a.halcrow@leeds.ac.uk
• 10. https://archive.researchdata.leeds.ac.uk/1304/1/readme.pdf
• 11. https://archive.researchdata.leeds.ac.uk/1304/1/readme.pdf
• 12. https://archive.researchdata.leeds.ac.uk/1304/1/readme.pdf
• 13. https://archive.researchdata.leeds.ac.uk/1304/1/readme.pdf
• 14. https://archive.researchdata.leeds.ac.uk/1304/2/EDX.zip
• 15. https://archive.researchdata.leeds.ac.uk/1304/2/EDX.zip
• 16. https://archive.researchdata.leeds.ac.uk/1304/2/EDX.zip
• 17. https://archive.researchdata.leeds.ac.uk/1304/2/EDX.zip
• 18. https://archive.researchdata.leeds.ac.uk/1304/3/crystal.zip
• 19. https://archive.researchdata.leeds.ac.uk/1304/3/crystal.zip
• 20. https://archive.researchdata.leeds.ac.uk/1304/3/crystal.zip
• 21. https://archive.researchdata.leeds.ac.uk/1304/3/crystal.zip
• 22. https://archive.researchdata.leeds.ac.uk/1304/4/LTE.zip
• 23. https://archive.researchdata.leeds.ac.uk/1304/4/LTE.zip
• 24. https://archive.researchdata.leeds.ac.uk/1304/4/LTE.zip
• 25. https://archive.researchdata.leeds.ac.uk/1304/4/LTE.zip