Research Data Leeds Repository

Citation

Ghosh, Prabir and Pask, Christopher M. and Vasili, Hari Babu and Yoshinari, Nobuto and Konno, Takumi and Cespedes, Oscar and Enachescu, Cristian and Chakraborty, Pradip and Halcrow, Malcolm A. (2023) Data to support The Effect of Inert Dopant Ions on Spin-Crossover Materials is not Simply Controlled by Chemical Pressure. University of Leeds. [Dataset] https://doi.org/10.5518/1351

Dataset description

The spin-crossover temperature in [FexRu(1-x)(bpp)2][BF4]2 increases with increased ruthenium doping, which reflects a subtle interplay between the [Ru(bpp)2]2+ dopant molecules and the [Fe(bpp)2]2+ switching centres in the lattice.

Keywords:	iron; zinc; ruthenium; spin-crossover; crystal engineering; Monte Carlo simulations
Divisions:	Faculty of Engineering and Physical Sciences > School of Chemistry
Related resources:	Location Type https://doi.org/10.1039/D3TC02683C Publication https://eprints.whiterose.ac.uk/204006/ Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	05 Sep 2023 14:59
URI:	https://archive.researchdata.leeds.ac.uk/id/eprint/1155
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 Ghosh, Prabir IIT Kharagpur, India https://ror.org/03w5sq511 ror Pask, Christopher M. https://orcid.org/0000-0002-2241-5069 University of Leeds https://ror.org/024mrxd33 ror Vasili, Hari Babu https://orcid.org/0000-0002-3356-6436 University of Leeds https://ror.org/024mrxd33 ror Yoshinari, Nobuto https://orcid.org/0000-0003-2457-0967 Osaka University, Japan https://ror.org/035t8zc32 ror Konno, Takumi https://orcid.org/0000-0003-4612-5418 Osaka University, Japan https://ror.org/035t8zc32 ror Cespedes, Oscar https://orcid.org/0000-0002-5249-9523 University of Leeds https://ror.org/024mrxd33 ror Enachescu, Cristian https://orcid.org/0000-0001-5173-5451 Alexandru Ioan Cuza University, Romania https://ror.org/022kvet57 ror Chakraborty, Pradip https://orcid.org/0000-0003-1639-3411 IIT Kharagpur, India https://ror.org/03w5sq511 ror Halcrow, Malcolm A. https://orcid.org/0000-0001-7491-9034 University of Leeds https://ror.org/024mrxd33 ror Type of data: Dataset Research funders: The Royal Society, Diamond Light Source, Science and Engineering Research Board, India, Science and Engineering Research Board, India, Executive Agency for Higher Education, Research, Development and Innovation Funding (UEFISCDI), Romania Grant numbers: IES\R3\193172, CY26879, ECR/2018/000923, PDF/2021/004430, PN-III-P4-ID-PCE-2020-1946 Publication date: 2023 Resource language: English Metadata language: English Publisher: University of Leeds Contact email: m.a.halcrow@leeds.ac.uk Last Modified: 03 Sep 2024 07:50

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readme [1MB] readme [1MB] readme [1MB] Security: Anyone File name: readme.pdf Content type: Documentation Description: compound naming and metadata Mime-Type: application/pdf License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 1MB

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Elemental microanayses [255kB] Elemental microanayses [255kB] Elemental microanayses [255kB] Security: Anyone File name: microanalysis.zip Content type: Data Description: Elemental microanalyses Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 255kB

Single crystal X-ray diffraction [8MB] Single crystal X-ray diffraction [8MB] Single crystal X-ray diffraction [8MB] Security: Anyone File name: crystal.zip Content type: Data Description: SHELXL refinement files Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 8MB

Linear thermal expansion coefficient calculations [1MB] Linear thermal expansion coefficient calculations [1MB] Linear thermal expansion coefficient calculations [1MB] Security: Anyone File name: LTE.zip Content type: Data Description: PASCal outputs Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 1MB

X-ray powder diffraction [765kB] X-ray powder diffraction [765kB] X-ray powder diffraction [765kB] Security: Anyone File name: XRPD.zip Content type: Data Description: Exported raw data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 765kB

Magnetic susceptibility measurements [2MB] Magnetic susceptibility measurements [2MB] Magnetic susceptibility measurements [2MB] Security: Anyone File name: SQUID.zip Content type: Data Description: Plotted susceptibility data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 2MB

Differential scanning calorimetry [1MB] Differential scanning calorimetry [1MB] Differential scanning calorimetry [1MB] Security: Anyone File name: DSC.zip Content type: Data Description: Raw and plotted data Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 1MB