Research Data Leeds Repository

Data to support study of Spin States of Homochiral and Heterochiral Isomers of [Fe(PyBox)2]2+ Derivatives

Halcrow, Malcolm A and Burrows, Kay E and McGrath, Sarah E and Kulmaczewski, Rafał and 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 http://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:	http://archive.researchdata.leeds.ac.uk/id/eprint/139
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 Burrows, Kay E https://orcid.org/0000-0002-5485-6256 McGrath, Sarah E Kulmaczewski, Rafał https://orcid.org/0000-0002-3855-4530 Cespedes, Oscar https://orcid.org/0000-0002-5249-9523 Barrett, Simon A 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 Address: m.a.halcrow@leeds.ac.uk Last Modified: 11 Apr 2017 22:45

Files

Documentation

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

Data

CHN microanalysis [1MB] CHN microanalysis [1MB] CHN microanalysis [1MB] Visible to: 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] 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: 8MB

Magnetic susceptibility [533kB] Magnetic susceptibility [533kB] Magnetic susceptibility [533kB] Visible to: 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] 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: 9MB

NMR spectra [8MB] NMR spectra [8MB] NMR spectra [8MB] Visible to: 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] Visible to: 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