Research Data Leeds Repository

Data to support study of Iron/2,6-Di(pyrazol-1-yl)pyridine Derivatives with a Discotic Pattern of Alkyl or Alkynyl Substituents

Halcrow, Malcolm A and Galadzhun, Iurii and Kulmaczewski, Rafal and Cespedes, Oscar (2021) Data to support study of Iron/2,6-Di(pyrazol-1-yl)pyridine Derivatives with a Discotic Pattern of Alkyl or Alkynyl Substituents. University of Leeds. [Dataset] https://doi.org/10.5518/1001

Dataset description

[Fe(1-bpp)2][BF4]2 derivatives with four long chain alkyl substituents show an irreversible low→high-spin conversion near 350 K, which may reflect melting of the complexes' alkyl substituent conformations

Keywords:	iron; N-donor ligands; 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 https://doi.org/10.1002/ejic.202100435 Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	11 Jun 2021 12:39
URI:	http://archive.researchdata.leeds.ac.uk/id/eprint/846
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 http://www.leeds.ac.uk/ ROR Galadzhun, Iurii https://orcid.org/0000-0003-3828-7097 University of Leeds http://www.leeds.ac.uk/ ROR Kulmaczewski, Rafal https://orcid.org/0000-0002-3855-4530 University of Leeds http://www.leeds.ac.uk/ ROR Cespedes, Oscar https://orcid.org/0000-0002-5249-9523 University of Leeds http://www.leeds.ac.uk/ ROR Type of data: Dataset Research funders: EPSRC Grant numbers: EP/K012568/1 Publication date: 2021 Resource language: English Metadata language: English Research project title: Switchable molecular crystals Publisher: University of Leeds Contact Email Address: m.a.halcrow@leeds.ac.uk Last Modified: 11 Jun 2021 22:35

Files

Documentation

Compound naming and metadata [368kB] Compound naming and metadata [368kB] Compound naming and metadata [368kB] 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: 368kB

Data

Elemental microanayses [4MB] Elemental microanayses [4MB] Elemental microanayses [4MB] 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: 4MB

Single crystal X-ray diffraction [1MB] Single crystal X-ray diffraction [1MB] Single crystal X-ray diffraction [1MB] 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: 1MB

X-ray powder diffraction [505kB] X-ray powder diffraction [505kB] X-ray powder diffraction [505kB] 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: 505kB

Nuclear magnetic resonance [47MB] Nuclear magnetic resonance [47MB] Nuclear magnetic resonance [47MB] 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: 47MB

Magnetic susceptibility measurements [1MB] Magnetic susceptibility measurements [1MB] Magnetic susceptibility measurements [1MB] 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: 1MB

Differential scanning calorimetry [5MB] Differential scanning calorimetry [5MB] Differential scanning calorimetry [5MB] Visible to: Anyone File name: DSC.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 5MB

Thermogravimetric analysis [1MB] Thermogravimetric analysis [1MB] Thermogravimetric analysis [1MB] 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: 1MB

Molecular mechanics models [1MB] Molecular mechanics models [1MB] Molecular mechanics models [1MB] Visible to: Anyone File name: mechanics.zip Content type: Data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 1MB