Research Data Leeds Repository

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

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
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	04 Feb 2022 14:28
URI:	http://archive.researchdata.leeds.ac.uk/id/eprint/926
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://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 Research project title: Switchable molecular crystals, Spin-crossover module Publisher: University of Leeds Contact Email Address: m.a.halcrow@leeds.ac.uk Last Modified: 04 Feb 2022 23:35

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

Data

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

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

Crystallographic Hirshfeld analysis [162MB] Crystallographic Hirshfeld analysis [162MB] Crystallographic Hirshfeld analysis [162MB] Visible to: 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] 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: 2MB

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

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

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

Thermogravimetric analyses [2MB] Thermogravimetric analyses [2MB] Thermogravimetric analyses [2MB] Visible to: 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