Research Data Leeds Repository

Data to support study of Structure:Function Relationships for Thermal and Light-Induced Spin-Crossover in Isomorphous Molecular Materials

Citation

Halcrow, Malcolm A. and Kulmaczewski, Rafał and Trzop, Elzbieta and Collet, Eric and Vela, Sergi (2020) Data to support study of Structure:Function Relationships for Thermal and Light-Induced Spin-Crossover in Isomorphous Molecular Materials. University of Leeds. [Dataset] https://doi.org/10.5518/820¹

Dataset description

The complicated behaviour of a family of isostructural solvates under light-induced spin state trapping probably reflects the consequences of reorientation of the lattice solvent during the spin-transition process.

Keywords:	iron; spin crossover; LIESST effect; photocrystallography; DFT calculations
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/d0tc02174a4 Publication https://eprints.whiterose.ac.uk/161210/5 Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	29 May 2020 13:34
URI:	https://archive.researchdata.leeds.ac.uk/id/eprint/6786
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 Kulmaczewski, Rafał https://orcid.org/0000-0002-3855-45308 University of Leeds https://ror.org/024mrxd33 ror Trzop, Elzbieta https://orcid.org/0000-0003-1998-18259 Université de Rennes https://ror.org/015m7wh34 ror Collet, Eric https://orcid.org/0000-0003-0810-741110 Université de Rennes https://ror.org/015m7wh34 ror Vela, Sergi https://orcid.org/0000-0002-3431-247011 École Polytechnique Fédérale de Lausanne https://ror.org/019whta54 ror Type of data: Dataset Research funders: EPSRC, Royal Society of Chemistry Grant numbers: EP/K012568/1, RM1602-6273 Publication date: 2020 Resource language: English Metadata language: English Research project title: Switchable molecular crystals, Photocrystallography Publisher: University of Leeds Contact email: m.a.halcrow@leeds.ac.uk12 Last Modified: 31 Oct 2024 08:51

Files

Documentation

compound naming and metadata [280kB] 13 compound naming and metadata [280kB] 14 compound naming and metadata [280kB] 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: 280kB

Data

Single crystal X-ray diffraction [92MB] 17 Single crystal X-ray diffraction [92MB] 18 Single crystal X-ray diffraction [92MB] 19 Security: Anyone File name: crystal.zip20 Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 92MB

Hirshfeld surface calculations [256MB] 21 Hirshfeld surface calculations [256MB] 22 Hirshfeld surface calculations [256MB] 23 Security: Anyone File name: Hirshfeld.zip24 Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 256MB

• 1. https://doi.org/10.5518/820
• 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/d0tc02174a
• 5. https://eprints.whiterose.ac.uk/161210/
• 6. https://archive.researchdata.leeds.ac.uk/id/eprint/678
• 7. https://orcid.org/0000-0001-7491-9034
• 8. https://orcid.org/0000-0002-3855-4530
• 9. https://orcid.org/0000-0003-1998-1825
• 10. https://orcid.org/0000-0003-0810-7411
• 11. https://orcid.org/0000-0002-3431-2470
• 12. mailto:m.a.halcrow@leeds.ac.uk
• 13. https://archive.researchdata.leeds.ac.uk/678/1/readme.pdf
• 14. https://archive.researchdata.leeds.ac.uk/678/1/readme.pdf
• 15. https://archive.researchdata.leeds.ac.uk/678/1/readme.pdf
• 16. https://archive.researchdata.leeds.ac.uk/678/1/readme.pdf
• 17. https://archive.researchdata.leeds.ac.uk/678/2/crystal.zip
• 18. https://archive.researchdata.leeds.ac.uk/678/2/crystal.zip
• 19. https://archive.researchdata.leeds.ac.uk/678/2/crystal.zip
• 20. https://archive.researchdata.leeds.ac.uk/678/2/crystal.zip
• 21. https://archive.researchdata.leeds.ac.uk/678/3/Hirshfeld.zip
• 22. https://archive.researchdata.leeds.ac.uk/678/3/Hirshfeld.zip
• 23. https://archive.researchdata.leeds.ac.uk/678/3/Hirshfeld.zip
• 24. https://archive.researchdata.leeds.ac.uk/678/3/Hirshfeld.zip