Research Data Leeds Repository

Citation

Halcrow, Malcolm A. and Capel Berdiell, Izar and Desplanches, Cédric and Hochdörffer, Tim and Kulmaczewski, Rafał and Wolny, Juliusz A. and Warriner, Stuart L. and Shahid, Namrah and Cespedes, Oscar and Schünemann, Volker (2019) Data to support study of Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover. University of Leeds. [Dataset] https://doi.org/10.5518/735

Dataset description

Two [{FeIII(OH2)6}Fe8(μ-L)12][BF4]7 cubane assemblies (L = a 4,6-pyrazolylpyrimid-2-one derivative) undergo spin-crossover selectively at just two opposite vertices of the cubane cages

Keywords:	iron; spin-crossover; supramolecular chemistry; X-ray crystallography; magnetic measurements
Subjects:	F000 - Physical sciences > F100 - Chemistry
Divisions:	Faculty of Engineering and Physical Sciences > School of Chemistry
Related resources:	Location Type http://doi.org/10.1021/jacs.9b08862 Publication http://eprints.whiterose.ac.uk/153161/ Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	12 Nov 2019 10:03
URI:	https://archive.researchdata.leeds.ac.uk/id/eprint/602
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 Capel Berdiell, Izar https://orcid.org/0000-0003-3828-7097 University of Leeds https://ror.org/024mrxd33 ror Desplanches, Cédric https://orcid.org/0000-0001-8524-3690 University of Bordeaux https://ror.org/057qpr032 ror Hochdörffer, Tim Technical University of Kaiserslautern https://ror.org/01qrts582 ror Kulmaczewski, Rafał https://orcid.org/0000-0002-3855-4530 University of Leeds https://ror.org/024mrxd33 ror Wolny, Juliusz A. https://orcid.org/0000-0002-2766-7492 Technical University of Kaiserslautern https://ror.org/01qrts582 ror Warriner, Stuart L. https://orcid.org/0000-0002-7589-6011 University of Leeds https://ror.org/024mrxd33 ror Shahid, Namrah 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 Schünemann, Volker https://orcid.org/0000-0002-3162-1032 Technical University of Kaiserslautern https://ror.org/01qrts582 ror Type of data: Dataset Research funders: EPSRC, EPSRC, Leverhulme Trust, EU COST, Diamond Light Source Grant numbers: EP/K012568/1, EP/K00512X/1, RPG-2015-095, CM1305, MT10334 Publication date: 2019 Resource language: English Metadata language: English Research project title: Switchable molecular crystals, SQUID magnetometer, Exploiting a spin-crossover module, ECOSTBio Publisher: University of Leeds Contact email: m.a.halcrow@leeds.ac.uk Last Modified: 24 Jul 2024 13:32

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Documentation

compound naming and metadata [171kB] compound naming and metadata [171kB] compound naming and metadata [171kB] 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: 171kB

Data

CHN microanalyses [854kB] CHN microanalyses [854kB] CHN microanalyses [854kB] 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: 854kB

Single crystal X-ray diffraction [10MB] Single crystal X-ray diffraction [10MB] Single crystal X-ray diffraction [10MB] 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: 10MB

Magnetic susceptibility [972kB] Magnetic susceptibility [972kB] Magnetic susceptibility [972kB] Security: 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: 972kB

Evans method [6MB] Evans method [6MB] Evans method [6MB] 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: 6MB

X-ray powder diffraction [353kB] X-ray powder diffraction [353kB] X-ray powder diffraction [353kB] 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: 353kB

Mass spectra [188kB] Mass spectra [188kB] Mass spectra [188kB] Security: Anyone File name: ESMS.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 188kB