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 Engineering 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:	https://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: 09 Jul 2024 11:50

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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