Research Data Leeds Repository

Dataset

Sephton, Holly E. and Watson, Rhiannon L. and Shahid, Namrah and Pask, Christopher M. and Vasili, Hari Babu and Baker, Daniel and Saha, Dipankar and Capel Berdiell, Izar and Cespedes, Oscar and Halcrow, Malcolm A. (2025) Data to Support The Impact of Whole-Molecule Disorder on Spin-Crossover in a Family of Isomorphous Molecular Crystals.¹⁰ University of Leeds. [Dataset] https://doi.org/10.5518/1625¹¹

Capel Berdiell, Izar and Michaels, Evridiki and Munro, Orde Q. and Halcrow, Malcolm A. (2024) Data to support A Survey of the Angular Distortion Landscape in the Coordination Geometries of High-Spin Iron(II) 2,6-Bis(pyrazolyl)pyridine Complexes.¹² University of Leeds. [Dataset] https://doi.org/10.5518/1452¹³

Halcrow, Malcolm A. and Vasili, Hari Babu and Pask, Christopher M. and Kulak, Alexander N. and Cespedes, Oscar (2024) Data to support Activating a High-Spin Iron(II) Complex to Thermal Spin-Crossover with an Inert Non-Isomorphous Molecular Dopant.¹⁴ University of Leeds. [Dataset] https://doi.org/10.5518/1493¹⁵

Pask, Christopher M. and Kulak, Alexander N. and Halcrow, Malcolm A. (2024) Data to support Structural Consequences of Different Metal Compositions in the Doped Spin-Crossover Crystals [FezM1−z(bpp)2][BF4]2 (M = Ni, Zn; bpp = 2,6-Bis{pyrazol-1-yl}pyridine).¹⁶ University of Leeds. [Dataset] https://doi.org/10.5518/1540¹⁷

Ahmed, Ahmed and Hall, Amy and Vasili, Hari Babu and Kulmaczewski, Rafał and Kulak, Alexander N. and Pask, Christopher M. and Cespedes, Oscar and Brammer, Lee and Roseveare, Thomas M. and Halcrow, Malcolm A. (2024) Data to support study of Structural Bifurcation in the High→Low-Spin and Low→High-Spin Phase Transitions Explains the Asymmetric Spin-Crossover in [FeL2][BF4]2 (L = 2,6-Di{pyrazol-1-yl}isonicotinonitrile). [Dataset]. https://doi.org/10.5518/1564.¹⁸ University of Leeds. [Dataset] https://doi.org/10.5518/1564¹⁹

Kulmaczewski, Rafał and Halcrow, Malcolm A. (2023) Data to Support Iron(II) Complexes of 2,6-Bis(imidazo[1,2?a]pyridin-2-yl)pyridine and Related Ligands with Annelated Distal Heterocyclic Donors.²⁰ University of Leeds. [Dataset] https://doi.org/10.5518/1413²¹

Smith, Ryan A. and Kulmaczewski, Rafał and Halcrow, Malcolm A. (2023) Data to support Study of Ligand-Directed Metallation of a Gold Pyrazolate Cluster.²² University of Leeds. [Dataset] https://doi.org/10.5518/1361²³

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.²⁴ University of Leeds. [Dataset] https://doi.org/10.5518/1351²⁵

Roberts, Thomas D. and Pask, Christopher M. and Capel Berdiell, Izar and Tuna, Floriana and Halcrow, Malcolm A. (2022) Data to Support a Study of Exploring the Influence of Counterions on a Hysteretic Spin-Transition in Isomorphous Iron(II) Complex Salts.²⁶ University of Leeds. [Dataset] https://doi.org/10.5518/1233²⁷

Halcrow, Malcolm A. and Kulmaczewski, Rafał and Armstrong, Isaac T. and Catchpole, Pip and Ratcliffe, Emily S. J. and Babu Vasili, Hari and Warriner, Stuart L. and Cespedes, Oscar (2022) Data to support study of Di-Iron(II) [2+2] Helicates of Bis-(Dipyrazolylpyridine) Ligands – the Influence of the Ligand Linker Group on Spin State Properties.²⁸ University of Leeds. [Dataset] https://doi.org/10.5518/1205²⁹

Halcrow, Malcolm A. and Shahid, Namrah and Burrows, Kay E. and Pask, Christopher M. and Cespedes, Oscar and Howard, Mark J. and McGowan, Patrick C. (2022) Data to support study of Heteroleptic Iron(II) Complexes of Chiral 2,6-Bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-Bis(thiazolin-2-yl)pyridine Ligands ‒ the Interplay of Two Different Ligands on the Metal Ion Spin State.³⁰ University of Leeds. [Dataset] https://doi.org/10.5518/1113³¹

Halcrow, Malcolm A. and Kulmaczewski, Rafał and Kershaw Cook, Laurence J. and Pask, Christopher M. and Cespedes, Oscar (2022) Data to support study of Iron(II) Complexes of 4-(Alkyldisulfanyl)-2,6-di(pyrazolyl)pyridine Derivatives. Correlation of Spin-Crossover Cooperativity with Molecular Structure Following Single-Crystal-to-Single-Crystal Desolvation.³² University of Leeds. [Dataset] https://doi.org/10.5518/1098³³

Michaels, Evridiki and Capel Berdiell, Izar and Vasili, Hari Babu and Pask, Christopher M. and Howard, Mark J. and Cespedes, Oscar and Halcrow, Malcolm A. (2022) Data to support study of Spin-Crossover in a New Iron(II)/Di(pyrazolyl)pyridine Complex with a Terpyridine Embrace Lattice.³⁴ University of Leeds. [Dataset] https://doi.org/10.5518/1229³⁵

Halcrow, Malcolm A. and Kulmaczewski, Rafał and Howard, Mark J. (2021) Data to support study of Influence of Ligand Substituent Conformation on the Spin State of an Iron(II)/Di(pyrazol-1-yl)pyridine Complex.³⁶ University of Leeds. [Dataset] https://doi.org/10.5518/961³⁷

Halcrow, Malcolm A. and Galadzhun, Iurii and Kulmaczewski, Rafał 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.³⁸ University of Leeds. [Dataset] https://doi.org/10.5518/1001³⁹

Halcrow, Malcolm A. and Capel Berdiell, Izar and García-López, Víctor and Howard, Mark J. and Clemente-León, Miguel (2021) Data to support study of The Effect of Tether Groups on the Spin States of Iron(II)/Bis[2,6-Di(pyrazol-1-yl)pyridine] Complexes.⁴⁰ University of Leeds. [Dataset] https://doi.org/10.5518/986⁴¹

Halcrow, Malcolm A. and Galadzhun, Iurii and Kulmaczewski, Rafał and Shahid, Namrah and Cespedes, Oscar (2021) Data to support study of The Flexibility of Long Chain Substituents Influences Spin-Crossover in Isomorphous Lipid Bilayer Crystals.⁴² University of Leeds. [Dataset] https://doi.org/10.5518/974⁴³

Halcrow, Malcolm A. and Capel Berdiell, Izar and Kulmaczewski, Rafał and Namrah, Shahid and Cespedes, Oscar (2021) Data to support study of The Number and Shape of Lattice Solvent Molecules Controls Spin-Crossover in an Isomorphous Series of Crystalline Solvate Salts.⁴⁴ University of Leeds. [Dataset] https://doi.org/10.5518/999⁴⁵

Halcrow, Malcolm A. and Shahid, Namrah and Burrows, Kay E. and Howard, Mark J. and Pask, Christopher M. and Cespedes, Oscar and McGowan, Patrick C. (2021) Data to support study of The Spin States of Diastereomeric Iron(II)/Bis[2,6-Di(thiazolin-2-yl)-pyridine] (ThioPyBox) Complexes, and a Comparison with the Corresponding PyBox Derivatives.⁴⁶ University of Leeds. [Dataset] https://doi.org/10.5518/1028⁴⁷

Halcrow, Malcolm A. and Capel Berdiell, Izar and Davies, Daniel J. and Woodworth, Jack and Kulmaczewski, Rafał and Cespedes, Oscar (2021) Data to support study of The Structures and Spin States of Iron(II) Complexes of Isomeric 2,6-Di(1,2,3-triazolyl)pyridine Ligands.⁴⁸ University of Leeds. [Dataset] https://doi.org/10.5518/1042⁴⁹

Halcrow, Malcolm A. and Pask, Christopher M. and Greatorex, Sam and Kulmaczewski, Rafał and Baldansuren, Amgalanbaatar and McInnes, Eric J. L. and Bamiduro, Faith and Yamada, Mihoko and Yoshinari, Nobuto (2020) Data to support study of Elucidating the Structural Chemistry of a Hysteretic Iron(II) Spin-Crossover Compound From its Copper(II) and Zinc(II) Congeners.⁵⁰ University of Leeds. [Dataset] https://doi.org/10.5518/773⁵¹

Halcrow, Malcolm A. and Capel Berdiell, Izar and Kulmaczewski, Rafał and Warriner, Stuart L. and Cespedes, Oscar (2020) Data to support study of Iron and Silver Complexes of 4-(Imidazol-1-yl)-2,6-di(pyrazol-1-yl)pyridine (L), Including a [Fe3(mu-F)2F6L8]+ Assembly.⁵² University of Leeds. [Dataset] https://doi.org/10.5518/895⁵³

Halcrow, Malcolm A. and Greatorex, Sam and Fokin, Sergey V. and Kulmaczewski, Rafał and Cespedes, Oscar and Yamada, Mihoko and Yoshinari, Nobuto and Konno, Takumi and Sproules, Stephen and Ovcharenko, Victor I. (2020) Data to support study of Modulating the Magnetic Properties of Copper(II)/Nitroxyl Heterospin Complexes by Suppression of the Jahn-Teller Distortion.⁵⁴ University of Leeds. [Dataset] https://doi.org/10.5518/591⁵⁵

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.⁵⁶ University of Leeds. [Dataset] https://doi.org/10.5518/910⁵⁷

Halcrow, Malcolm A. and Kulmaczewski, Rafał and Trzop, Elzbieta and Collet, Eric and Vela, Sergi (2020) Data to support study of Structure:Function Relationships for Thermal and Light-Induced Spin-Crossover in Isomorphous Molecular Materials.⁵⁸ University of Leeds. [Dataset] https://doi.org/10.5518/820⁵⁹

Halcrow, Malcolm A. and Galadzhun, Iurii and Capel Berdiell, Izar and Shahid, Namrah (2019) Data to support study of An Iron(II) Coordination Polymer of a Triazolyl Tris-Heterocycle Showing a Spin State Conversion Triggered by Loss of Lattice Solvent.⁶⁰ University of Leeds. [Dataset] https://doi.org/10.5518/728⁶¹

Halcrow, Malcolm A. and Capel Berdiell, Izar and Farmiloe, Sarah E. and Kulmaczewski, Rafał (2019) Data to support study of Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands.⁶² University of Leeds. [Dataset] https://doi.org/10.5518/734⁶³

Halcrow, Malcolm A. and Greatorex, Sam and Vincent, Kevin B. and Baldansuren, Amgalanbaatar and McInnes, Eric J. L. and Patmore, Nathan J. and Sproules, Stephen (2019) Data to support study of Rigidification of a Macrocyclic Tris-Catecholate Scaffold Leads to Electronic Localisation of its Mixed Valent Redox Product.⁶⁴ University of Leeds. [Dataset] https://doi.org/10.5518/557⁶⁵

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.⁶⁶ University of Leeds. [Dataset] https://doi.org/10.5518/735⁶⁷

Halcrow, Malcolm A. and Capel Berdiell, Izar and Pask, Christopher M. and Kulmaczewski, Rafał (2019) Data to support study of the Relationship Between Molecular Structure and Switching Temperature in a Library of Spin-Crossover Molecular Materials.⁶⁸ University of Leeds. [Dataset] https://doi.org/10.5518/622⁶⁹

Halcrow, Malcolm A. and Galadzhun, Iurii and Kulmaczewski, Rafał and Cespedes, Oscar and Yamada, Mihoko and Yoshinari, Nobuto and Konno, Takumi (2018) Data to support study of 2,6-Di(pyrazol-1-yl)pyridine-4-carboxylate Esters with Alkyl Chain Substituents, and their Iron(II) Complexes.⁷⁰ University of Leeds. [Dataset] https://doi.org/10.5518/455⁷¹

Halcrow, Malcolm A. and Capel Berdiell, Izar and Kulak, Alexander N. and Warriner, Stuart L. (2018) Data to support study of Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(Pyrazol-1-yl)-1,3,5-Triazine.⁷² University of Leeds. [Dataset] https://doi.org/10.5518/537⁷³

Halcrow, Malcolm A. and Capel Berdiell, Izar and Warriner, Stuart L. (2018) Data to support study of silver(I) complexes of bis- and tris-(pyrazolyl)azine derivatives – dimers, coordination polymers and a pentametallic assembly.⁷⁴ University of Leeds. [Dataset] https://doi.org/10.5518/346⁷⁵

Halcrow, Malcolm A. and Burrows, Kay E. and Kulmaczewski, Rafał and Cespedes, Oscar and Barrett, Simon A. (2018) Data to support study of the speciation of homochiral and heterochiral diastereomers of homoleptic cobalt(II) and zinc(II) PyBox complexes.⁷⁶ University of Leeds. [Dataset] https://doi.org/10.5518/370⁷⁷

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.⁷⁸ University of Leeds. [Dataset] https://doi.org/10.5518/274⁷⁹

Halcrow, Malcolm A. and Kulmaczewski, Rafał and Cespedes, Oscar (2017) Data to support study of Gradual Thermal Spin-Crossover Mediated by a Re-Entrant Z’ = 1 to Z’ = 6 to Z’ = 1 Phase Transition.⁸⁰ University of Leeds. [Dataset] https://doi.org/10.5518/164⁸¹

Halcrow, Malcolm A. and Capel Berdiell, Izar and Kulmaczewski, Rafał (2017) Data to support study of Iron(II) Complexes of 2,4-Dipyrazolyl-1,3,5-Triazine Derivatives ‒ the Influence of Ligand Geometry on Metal Ion Spin State.⁸² University of Leeds. [Dataset] https://doi.org/10.5518/213⁸³

Halcrow, Malcolm A. and Kulmaczewski, Rafał and Trzop, Elzbieta and Kershaw Cook, Laurence J. and Collet, Eric and Chastanet, Guillaume (2017) Data to support study of Role of Symmetry Breaking in the Structural Trapping of Light-Induced Excited Spin States.⁸⁴ University of Leeds. [Dataset] https://doi.org/10.5518/292⁸⁵

Halcrow, Malcolm A. and Burrows, Kay E. and McGrath, Sarah E. and Kulmaczewski, Rafał and Cespedes, Oscar and Barrett, Simon A. (2017) Data to support study of Spin States of Homochiral and Heterochiral Isomers of [Fe(PyBox)2]2+ Derivatives.⁸⁶ University of Leeds. [Dataset] https://doi.org/10.5518/184⁸⁷