Research Data Leeds Repository

Data to support study of The Number and Shape of Lattice Solvent Molecules Controls Spin-Crossover in an Isomorphous Series of Crystalline Solvate Salts

Halcrow, Malcolm A and Capel Berdiell, Izar and Kulmaczewski, Rafał and Namrah, Shahid and Cespedes, Oscar (2021) Data to support study of The Number and Shape of Lattice Solvent Molecules Controls Spin-Crossover in an Isomorphous Series of Crystalline Solvate Salts. University of Leeds. [Dataset] https://doi.org/10.5518/999

Dataset description

Crystals of [FeL2][BF4]2·nMeCN (L = N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide; n = 1 or 2), [FeL2][ClO4]2·MeCN and [FeL2]X2·EtCN (X = BF4 or ClO4) are all isomorphous but exhibit a variety of spin state behaviours.

Keywords:	iron; N-donor ligands; spin-crossover; symmetry-breaking; X-ray crystallography
Subjects:	F000 - Physical sciences > F100 - Chemistry
Divisions:	Faculty of Mathematics and Physical Sciences > School of Chemistry
Related resources:	Location Type https://doi.org/10.1039/d1cc02624k Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	08 Jun 2021 12:01
URI:	http://archive.researchdata.leeds.ac.uk/id/eprint/843
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 Capel Berdiell, Izar https://orcid.org/0000-0003-3828-7097 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 Namrah, Shahid https://orcid.org/0000-0002-8090-7619 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: Leverhulme Trust, EPSRC Grant numbers: RPG-2015-095, EP/K012568/1 Publication date: 2021 Resource language: English Metadata language: English Research project title: Exploiting a spin-crossover module, Switchable molecular crystals Publisher: University of Leeds Contact Email Address: m.a.halcrow@leeds.ac.uk Last Modified: 08 Jun 2021 22:35

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Documentation

compound naming and metadata [120kB] compound naming and metadata [120kB] compound naming and metadata [120kB] 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: 120kB

Data

Elemental microanayses [442kB] Elemental microanayses [442kB] Elemental microanayses [442kB] 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: 442kB

Single crystal X-ray diffraction [7MB] Single crystal X-ray diffraction [7MB] Single crystal X-ray diffraction [7MB] 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: 7MB

X-ray powder diffraction [427kB] X-ray powder diffraction [427kB] X-ray powder diffraction [427kB] 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: 427kB

Solid state magnetic measurements [2MB] Solid state magnetic measurements [2MB] Solid state magnetic measurements [2MB] 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: 2MB

Solution magnetic measurements [13MB] Solution magnetic measurements [13MB] Solution magnetic measurements [13MB] 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: 13MB

Thermogravimetric analyses [401kB] Thermogravimetric analyses [401kB] Thermogravimetric analyses [401kB] 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: 401kB