Research Data Leeds Repository

Data to support study of Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover

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 Mathematics 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:	http://archive.researchdata.leeds.ac.uk/id/eprint/602
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://doi.org/10.13039/501100000777 crossref Capel Berdiell, Izar https://orcid.org/0000-0003-3828-7097 Desplanches, Cédric https://orcid.org/0000-0001-8524-3690 Hochdörffer, Tim Kulmaczewski, Rafał https://orcid.org/0000-0002-3855-4530 Wolny, Juliusz A. Warriner, Stuart L https://orcid.org/0000-0002-7589-6011 Shahid, Namrah https://orcid.org/0000-0002-8090-7619 Cespedes, Oscar https://orcid.org/0000-0002-5249-9523 Schünemann, Volker 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 Research project title: Switchable molecular crystals, SQUID magnetometer, Exploiting a spin-crossover module, ECOSTBio Publisher: University of Leeds Contact Email Address: m.a.halcrow@leeds.ac.uk Last Modified: 21 Jul 2020 13:10

Files

Documentation

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

Data

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

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

Magnetic susceptibility [972kB] Magnetic susceptibility [972kB] Magnetic susceptibility [972kB] Visible to: 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] 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: 6MB

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

Mass spectra [188kB] Mass spectra [188kB] Mass spectra [188kB] Visible to: 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