Research Data Leeds Repository

Data to support study of the Relationship Between Molecular Structure and Switching Temperature in a Library of Spin-Crossover Molecular Materials

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 http://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:	http://archive.researchdata.leeds.ac.uk/id/eprint/547
Additional details Additional details Creators: 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://doi.org/10.13039/501100000777 crossref Capel Berdiell, Izar https://orcid.org/0000-0003-3828-7097 University of Leeds https://doi.org/10.13039/501100000777 crossref Pask, Christopher M https://orcid.org/0000-0002-2241-5069 University of Leeds https://doi.org/10.13039/501100000777 crossref Kulmaczewski, Rafał https://orcid.org/0000-0002-3855-4530 University of Leeds https://doi.org/10.13039/501100000777 crossref 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 Address: m.a.halcrow@leeds.ac.uk Last Modified: 10 Jun 2020 17:11

Files

Documentation

Compound naming and metadata [383kB] Compound naming and metadata [383kB] Compound naming and metadata [383kB] Visible to: 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] Visible to: 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] Visible to: 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] Visible to: 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] Visible to: 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] Visible to: 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