Research Data Leeds Repository

Citation

Halcrow, Malcolm A., Kulmaczewski, Rafał and Howard, Mark J. (2021) Data to support study of Influence of Ligand Substituent Conformation on the Spin State of an Iron(II)/Di(pyrazol-1-yl)pyridine Complex. University of Leeds. [Dataset] https://doi.org/10.5518/961

Dataset description

The solution-phase spin-crossover temperature in iron(II)/4-alkylsulfanyl-2,6-di{pyrazol-1-yl}pyridine complexes is influenced by the conformation of the SMe, SiPr or StBu alkylsulfanyl substituents.

Keywords:	iron; N-donor ligands; spin-crossover; magnetic measurements; density functional calculations
Subjects:	F000 - Physical sciences > F100 - Chemistry
Divisions:	Faculty of Engineering and Physical Sciences > School of Chemistry
Related resources:	Location Type https://doi.org/10.1039/d1dt00590a Publication https://eprints.whiterose.ac.uk/171650/ Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	01 Mar 2021 11:04
URI:	https://archive.researchdata.leeds.ac.uk/id/eprint/818
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 Kulmaczewski, Rafał https://orcid.org/0000-0002-3855-4530 University of Leeds https://ror.org/024mrxd33 ror Howard, Mark J. https://orcid.org/0000-0002-0762-2887 University of Leeds https://ror.org/024mrxd33 ror Type of data: Dataset Research funders: EPSRC Grant numbers: EP/K012568/1 Publication date: 2021 Resource language: English Metadata language: English Research project title: Switchable molecular crystals Publisher: University of Leeds Contact email: m.a.halcrow@leeds.ac.uk Last Modified: 01 Nov 2024 15:48

Files

Documentation

compound naming and metadata [285kB] compound naming and metadata [285kB] compound naming and metadata [285kB] 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: 285kB

Data

Magnetic susceptibility measurements [6MB] Magnetic susceptibility measurements [6MB] Magnetic susceptibility measurements [6MB] 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: 6MB

Density functional calculations [83MB] Density functional calculations [83MB] Density functional calculations [83MB] Security: Anyone File name: DFT.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 83MB