Research Data Leeds Repository

Citation

Halcrow, Malcolm A., Burrows, Kay E., McGrath, Sarah E., Kulmaczewski, Rafał, Cespedes, Oscar and Barrett, Simon A. (2017) Data to support study of Spin States of Homochiral and Heterochiral Isomers of [Fe(PyBox)2]2+ Derivatives. University of Leeds. [Dataset] https://doi.org/10.5518/184

Dataset description

Homochiral [Fe((R)-LPh)2]2+ (LPh = 2,6-bis{4-phenyloxazolinyl}pyridine) undergoes spin-crossover in CD3CN at 34 K lower temperature than its heterochiral diastereomer [Fe((R)-LPh)((S)-LPh)]2+.

Keywords:	iron; spin-crossover; isomers; chirality
Subjects:	F000 - Physical sciences > F100 - Chemistry
Divisions:	Faculty of Engineering and Physical Sciences > School of Chemistry Faculty of Engineering and Physical Sciences > School of Physics and Astronomy
Related resources:	Location Type https://doi.org/10.1002/chem.201700820 Publication https://eprints.whiterose.ac.uk/114618/ Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	11 Apr 2017 15:40
URI:	https://archive.researchdata.leeds.ac.uk/id/eprint/139
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 Burrows, Kay E. https://orcid.org/0000-0002-5485-6256 University of Leeds https://ror.org/024mrxd33 ror McGrath, Sarah E. 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 Cespedes, Oscar https://orcid.org/0000-0002-5249-9523 University of Leeds https://ror.org/024mrxd33 ror Barrett, Simon A. University of Leeds https://ror.org/024mrxd33 ror Type of data: Dataset Research funders: EPSRC, Leverhulme Trust, EPSRC, EPSRC Grant numbers: EP/K012568/1, RPG-2015-095, EP/K012568/1, EP/K00512X/1 Publication date: 2017 Resource language: English Metadata language: English Research project title: Switchable molecular crystals, Exploiting a spin-crossover module, SQUID magnetometer Publisher: University of Leeds Contact email: m.a.halcrow@leeds.ac.uk Last Modified: 20 Aug 2024 10:46

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Documentation

Compound naming and metadata [39kB] Compound naming and metadata [39kB] Compound naming and metadata [39kB] 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: 39kB

Data

CHN microanalysis [1MB] CHN microanalysis [1MB] CHN microanalysis [1MB] Security: Anyone File name: Microanalysis.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 1MB

Single crystal X-ray diffraction [8MB] Single crystal X-ray diffraction [8MB] Single crystal X-ray diffraction [8MB] 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: 8MB

Magnetic susceptibility [533kB] Magnetic susceptibility [533kB] Magnetic susceptibility [533kB] Security: Anyone File name: magnetism.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 533kB

Evans method [9MB] Evans method [9MB] Evans method [9MB] 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: 9MB

NMR spectra [8MB] NMR spectra [8MB] NMR spectra [8MB] Security: Anyone File name: NMR.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 8MB

X-ray powder diffraction [237kB] X-ray powder diffraction [237kB] X-ray powder diffraction [237kB] Security: Anyone File name: XRPD.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 237kB