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Data to support study of Structural transformations and spin-crossover in [FeL2]2+ salts (L = 4-{tertbutylsulfanyl}-2,6-di{pyrazol-1-yl}pyridine) − the influence of bulky ligand substituents
Citation
Halcrow, Malcolm A. and Kulmaczewski, Rafał and Bamiduro, Faith and Cespedes, Oscar (2020) Data to support study of Structural transformations and spin-crossover in [FeL2]2+ salts (L = 4-{tertbutylsulfanyl}-2,6-di{pyrazol-1-yl}pyridine) − the influence of bulky ligand substituents. University of Leeds. [Dataset] https://doi.org/10.5518/910
Dataset description
Desolvation of [FeL2][BF4]2·xMeNO2 occurs via an intermediate phase, exhibiting hysteretic spin-crossover (SCO) with a reverse step in its warming branch. Incomplete SCO in the final product phase reflects disorder of an L ligand. [FeL2][BF4]2·yMe2CO contains five complex cations per asymmetric unit, four of which undergo gradual SCO in at least two discrete steps.
| Keywords: | iron; N-donor ligands; spin-crossover; symmetry-breaking; X-ray crystallography | ||||||
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| Subjects: | F000 - Physical sciences > F100 - Chemistry | ||||||
| Divisions: | Faculty of Engineering and Physical Sciences > School of Chemistry Faculty of Engineering and Physical Sciences > School of Physics and Astronomy |
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| License: | Creative Commons Attribution 4.0 International (CC BY 4.0) | ||||||
| Date deposited: | 26 Oct 2020 17:30 | ||||||
| URI: | https://archive.researchdata.leeds.ac.uk/id/eprint/764 | ||||||
Files
Documentation
Compound naming and metadata [127kB]  |
Compound naming and metadata [127kB] 
Compound naming and metadata [127kB] Data
Elemental microanayses [16MB] |
Single crystal X-ray diffraction [22MB] |
X-ray powder diffraction [2MB] |
Nuclear magnetic resonance [1MB] |
Magnetic susceptibility measurements [7MB] |
Mass spectra [52kB] |
Thermogravimetric analyses [773kB] |