Research Data Leeds Repository

Citation

Halcrow, Malcolm A. and Capel Berdiell, Izar and Pask, Christopher M. and Kulmaczewski, Rafał (2019) Data to support study of the Relationship Between Molecular Structure and Switching Temperature in a Library of Spin-Crossover Molecular Materials. University of Leeds. [Dataset] https://doi.org/10.5518/622

Dataset description

A new approach to experimental structure:function relationships in spin-crossover molecular materials reveals how three crystal lattice types influence the temperature of a spin transition in different ways.

Keywords:	iron, spin-crossover, X-ray crystallography, magnetic measurements
Subjects:	F000 - Physical sciences > F100 - Chemistry
Divisions:	Faculty of Engineering and Physical Sciences > School of Chemistry
Related resources:	Location Type https://eprints.whiterose.ac.uk/148436/ Publication https://doi.org/10.1021/acs.inorgchem.9b00843 Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	22 Jul 2019 09:33
URI:	https://archive.researchdata.leeds.ac.uk/id/eprint/547
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/0000-0001-7491-9034 University of Leeds https://ror.org/024mrxd33 ror Capel Berdiell, Izar https://orcid.org/0000-0003-3828-7097 University of Leeds https://ror.org/024mrxd33 ror Pask, Christopher M. https://orcid.org/0000-0002-2241-5069 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 Type of data: Dataset Research funders: EPSRC, Leverhulme Trust Grant numbers: EP/K012568/1, RPG-2015-095 Publication date: 2019 Resource language: English Metadata language: English Research project title: Switchable molecular crystals, Exploiting a spin-crossover module Publisher: University of Leeds Contact email: m.a.halcrow@leeds.ac.uk Last Modified: 30 Oct 2024 11:22

Files

Documentation

Compound naming and metadata [383kB] Compound naming and metadata [383kB] Compound naming and metadata [383kB] Security: 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: 383kB

CHN microanalyses [530kB] CHN microanalyses [530kB] CHN microanalyses [530kB] Security: Anyone File name: Microanalysis.pdf Content type: Documentation Mime-Type: application/pdf License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 530kB

Data

Single crystal X-ray diffraction [752kB] Single crystal X-ray diffraction [752kB] Single crystal X-ray diffraction [752kB] Security: Anyone File name: crystal.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 752kB

Magnetic susceptibility [824kB] Magnetic susceptibility [824kB] Magnetic susceptibility [824kB] Security: Anyone File name: SQUID.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 824kB

Evans method [46kB] Evans method [46kB] Evans method [46kB] Security: Anyone File name: Evans.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 46kB

Simulated X-ray powder pattern [6kB] Simulated X-ray powder pattern [6kB] Simulated X-ray powder pattern [6kB] Security: Anyone File name: XRPD_sim.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 6kB