Research Data Leeds Repository

Data to support study of An Incomplete Spin-Transition Associated with a Z’ = 1 to Z’ = 24 Crystallographic Symmetry Breaking

Halcrow, Malcolm A and Capel Berdiell, Izar and Kulmaczewski, Rafał and Cespedes, Oscar (2017) Data to support study of An Incomplete Spin-Transition Associated with a Z’ = 1 to Z’ = 24 Crystallographic Symmetry Breaking. University of Leeds. [Dataset] https://doi.org/10.5518/274

Dataset description

[FeL2][BF4]2·Me2CO (L = N-[2,6-di{pyrazol-1-yl}pyrid-4-yl]acetamide) undergoes partial spin-crossover at T½ = 137 K, accompanied by a crystallographic phase change from phase 1 (P21/c, Z = 4) to phase 2 (P21, Z = 48).

Keywords:	iron; spin-crossover; symmetry-breaking; X-ray crystallography
Subjects:	F000 - Physical sciences > F100 - Chemistry
Divisions:	Faculty of Engineering and Physical Sciences > School of Chemistry
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	20 Nov 2017 12:04
URI:	http://archive.researchdata.leeds.ac.uk/id/eprint/283
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 Capel Berdiell, Izar https://orcid.org/0000-0003-3828-7097 Kulmaczewski, Rafał https://orcid.org/0000-0002-3855-4530 Cespedes, Oscar https://orcid.org/0000-0002-5249-9523 Type of data: Dataset Research funders: EPSRC, Leverhulme Trust, EPSRC, EPSRC Grant numbers: EP/K012568/1, RPG-2015-095, EP/K012568/1, EP/K00512X/1 Publication date: 2017 Resource language: English Research project title: Switchable molecular crystals, Exploiting a spin-crossover module, Switchable molecular crystals, SQUID magnetometer Publisher: University of Leeds Contact Email Address: m.a.halcrow@leeds.ac.uk Last Modified: 20 Nov 2017 23:45

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Documentation

compound naming and metadata [18kB] compound naming and metadata [18kB] compound naming and metadata [18kB] 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: 18kB

Data

CHN microanalysis [735kB] CHN microanalysis [735kB] CHN microanalysis [735kB] Visible to: Anyone File name: Microanalysis.pdf Content type: Data Mime-Type: application/pdf License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 735kB

Mass spectrum [68kB] Mass spectrum [68kB] Mass spectrum [68kB] 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: 68kB

Single crystal X-ray diffraction [27MB] Single crystal X-ray diffraction [27MB] Single crystal X-ray diffraction [27MB] 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: 27MB

Magnetic susceptibility [615kB] Magnetic susceptibility [615kB] Magnetic susceptibility [615kB] 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: 615kB

X-ray powder diffraction [232kB] X-ray powder diffraction [232kB] X-ray powder diffraction [232kB] Visible to: Anyone File name: XRPD.zip Content type: Data Mime-Type: XRPD.zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 232kB

NMR spectra [1MB] NMR spectra [1MB] NMR spectra [1MB] 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: 1MB