Research Data Leeds Repository

Citation

Halcrow, Malcolm A. and Kulmaczewski, Rafał and Kershaw Cook, Laurence J. and Pask, Christopher M. and Cespedes, Oscar (2022) Data to support study of Iron(II) Complexes of 4-(Alkyldisulfanyl)-2,6-di(pyrazolyl)pyridine Derivatives. Correlation of Spin-Crossover Cooperativity with Molecular Structure Following Single-Crystal-to-Single-Crystal Desolvation. University of Leeds. [Dataset] https://doi.org/10.5518/1098

Dataset description

[Fe(L1)2]X2 (1X2) form mixtures of solvated phases from acetone/diethyl ether, which transform to the same solvent-free material 1X2·sf upon mild heating. 1X2·sf exhibit abrupt spin-transitions with up to 38 K thermal hysteresis.

Keywords:	iron; spin crossover; X-ray crystallography; single-crystal-to-single-crystal reactions; magnetic measurements
Subjects:	F000 - Physical sciences > F100 - Chemistry
Divisions:	Faculty of Engineering and Physical Sciences > School of Chemistry
Related resources:	Location Type https://doi.org/10.1021/acs.cgd.2c00005 Publication https://eprints.whiterose.ac.uk/183263/ Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	04 Feb 2022 14:28
URI:	https://archive.researchdata.leeds.ac.uk/id/eprint/926
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 Kershaw Cook, Laurence J. https://orcid.org/0000-0003-1255-2307 University of Liverpool https://ror.org/04xs57h96 ror Pask, Christopher M. https://orcid.org/0000-0002-2241-5069 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 Type of data: Dataset Research funders: EPSRC, EPSRC Grant numbers: EP/K012568/1, EP/I014039/1 Publication date: 2022 Resource language: English Metadata language: English Research project title: Switchable molecular crystals, Spin-crossover module Publisher: University of Leeds Contact email: m.a.halcrow@leeds.ac.uk Last Modified: 15 Aug 2024 20:38

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compound naming and metadata [278kB] compound naming and metadata [278kB] compound naming and metadata [278kB] 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: 278kB

Data

Elemental microanayses [3MB] Elemental microanayses [3MB] Elemental microanayses [3MB] 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: 3MB

Single crystal X-ray diffraction [15MB] Single crystal X-ray diffraction [15MB] Single crystal X-ray diffraction [15MB] 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: 15MB

Crystallographic Hirshfeld analysis [162MB] Crystallographic Hirshfeld analysis [162MB] Crystallographic Hirshfeld analysis [162MB] Security: Anyone File name: Hirshfeld.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 162MB

X-ray powder diffraction [2MB] X-ray powder diffraction [2MB] X-ray powder diffraction [2MB] 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: 2MB

Nuclear magnetic resonance [2MB] Nuclear magnetic resonance [2MB] Nuclear magnetic resonance [2MB] 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: 2MB

Solid state magnetic measurements [8MB] Solid state magnetic measurements [8MB] Solid state magnetic measurements [8MB] 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: 8MB

Solution magnetic measurements [14MB] Solution magnetic measurements [14MB] Solution magnetic measurements [14MB] 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: 14MB

Thermogravimetric analyses [2MB] Thermogravimetric analyses [2MB] Thermogravimetric analyses [2MB] Security: Anyone File name: TGA.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 2MB