Research Data Leeds Repository

Sephton, Holly E., Watson, Rhiannon L., Shahid, Namrah, Pask, Christopher M., Vasili, Hari Babu, Baker, Daniel, Saha, Dipankar, Capel Berdiell, Izar, 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. University of Leeds. [Dataset] https://doi.org/10.5518/1625

Capel Berdiell, Izar, Michaels, Evridiki, 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. University of Leeds. [Dataset] https://doi.org/10.5518/1452

Halcrow, Malcolm A., Vasili, Hari Babu, Pask, Christopher M., 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. University of Leeds. [Dataset] https://doi.org/10.5518/1493

Pask, Christopher M., 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). University of Leeds. [Dataset] https://doi.org/10.5518/1540

Ahmed, Ahmed, Hall, Amy, Vasili, Hari Babu, Kulmaczewski, Rafał, Kulak, Alexander N., Pask, Christopher M., Cespedes, Oscar, Brammer, Lee, 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. University of Leeds. [Dataset] https://doi.org/10.5518/1564

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. University of Leeds. [Dataset] https://doi.org/10.5518/1413

Smith, Ryan A., Kulmaczewski, Rafał and Halcrow, Malcolm A. (2023) Data to support Study of Ligand-Directed Metallation of a Gold Pyrazolate Cluster. University of Leeds. [Dataset] https://doi.org/10.5518/1361

Ghosh, Prabir, Pask, Christopher M., Vasili, Hari Babu, Yoshinari, Nobuto, Konno, Takumi, Cespedes, Oscar, Enachescu, Cristian, 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

Roberts, Thomas D., Pask, Christopher M., Capel Berdiell, Izar, 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. University of Leeds. [Dataset] https://doi.org/10.5518/1233

Halcrow, Malcolm A., Kulmaczewski, Rafał, Armstrong, Isaac T., Catchpole, Pip, Ratcliffe, Emily S. J., Babu Vasili, Hari, 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. University of Leeds. [Dataset] https://doi.org/10.5518/1205

Halcrow, Malcolm A., Shahid, Namrah, Burrows, Kay E., Pask, Christopher M., Cespedes, Oscar, 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. University of Leeds. [Dataset] https://doi.org/10.5518/1113

Halcrow, Malcolm A., Kulmaczewski, Rafał, Kershaw Cook, Laurence J., 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. University of Leeds. [Dataset] https://doi.org/10.5518/1098

Michaels, Evridiki, Capel Berdiell, Izar, Vasili, Hari Babu, Pask, Christopher M., Howard, Mark J., 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. University of Leeds. [Dataset] https://doi.org/10.5518/1229

Halcrow, Malcolm A., 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. University of Leeds. [Dataset] https://doi.org/10.5518/961

Halcrow, Malcolm A., Galadzhun, Iurii, 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. University of Leeds. [Dataset] https://doi.org/10.5518/1001

Halcrow, Malcolm A., Capel Berdiell, Izar, García-López, Víctor, 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. University of Leeds. [Dataset] https://doi.org/10.5518/986

Halcrow, Malcolm A., Galadzhun, Iurii, Kulmaczewski, Rafał, 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. University of Leeds. [Dataset] https://doi.org/10.5518/974

Halcrow, Malcolm A., Capel Berdiell, Izar, Kulmaczewski, Rafał, 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. University of Leeds. [Dataset] https://doi.org/10.5518/999

Halcrow, Malcolm A., Shahid, Namrah, Burrows, Kay E., Howard, Mark J., Pask, Christopher M., 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. University of Leeds. [Dataset] https://doi.org/10.5518/1028

Halcrow, Malcolm A., Capel Berdiell, Izar, Davies, Daniel J., Woodworth, Jack, 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. University of Leeds. [Dataset] https://doi.org/10.5518/1042

Halcrow, Malcolm A., Pask, Christopher M., Greatorex, Sam, Kulmaczewski, Rafał, Baldansuren, Amgalanbaatar, McInnes, Eric J. L., Bamiduro, Faith, 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. University of Leeds. [Dataset] https://doi.org/10.5518/773

Halcrow, Malcolm A., Capel Berdiell, Izar, Kulmaczewski, Rafał, 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. University of Leeds. [Dataset] https://doi.org/10.5518/895

Halcrow, Malcolm A., Greatorex, Sam, Fokin, Sergey V., Kulmaczewski, Rafał, Cespedes, Oscar, Yamada, Mihoko, Yoshinari, Nobuto, Konno, Takumi, 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. University of Leeds. [Dataset] https://doi.org/10.5518/591

Halcrow, Malcolm A., Kulmaczewski, Rafał, 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

Halcrow, Malcolm A., Kulmaczewski, Rafał, Trzop, Elzbieta, 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. University of Leeds. [Dataset] https://doi.org/10.5518/820

Halcrow, Malcolm A., Galadzhun, Iurii, 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. University of Leeds. [Dataset] https://doi.org/10.5518/728

Halcrow, Malcolm A., Capel Berdiell, Izar, 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. University of Leeds. [Dataset] https://doi.org/10.5518/734

Halcrow, Malcolm A., Greatorex, Sam, Vincent, Kevin B., Baldansuren, Amgalanbaatar, McInnes, Eric J. L., 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. University of Leeds. [Dataset] https://doi.org/10.5518/557

Halcrow, Malcolm A., Capel Berdiell, Izar, Desplanches, Cédric, Hochdörffer, Tim, Kulmaczewski, Rafał, Wolny, Juliusz A., Warriner, Stuart L., Shahid, Namrah, Cespedes, Oscar and Schünemann, Volker (2019) Data to support study of Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover. University of Leeds. [Dataset] https://doi.org/10.5518/735

Halcrow, Malcolm A., Capel Berdiell, Izar, 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. University of Leeds. [Dataset] https://doi.org/10.5518/622

Halcrow, Malcolm A., Galadzhun, Iurii, Kulmaczewski, Rafał, Cespedes, Oscar, Yamada, Mihoko, 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. University of Leeds. [Dataset] https://doi.org/10.5518/455

Halcrow, Malcolm A., Capel Berdiell, Izar, 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. University of Leeds. [Dataset] https://doi.org/10.5518/537

Halcrow, Malcolm A., 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. University of Leeds. [Dataset] https://doi.org/10.5518/346

Halcrow, Malcolm A., Burrows, Kay E., Kulmaczewski, Rafał, 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. University of Leeds. [Dataset] https://doi.org/10.5518/370

Halcrow, Malcolm A., Capel Berdiell, Izar, 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

Halcrow, Malcolm A., 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. University of Leeds. [Dataset] https://doi.org/10.5518/164

Halcrow, Malcolm A., 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. University of Leeds. [Dataset] https://doi.org/10.5518/213

Halcrow, Malcolm A., Kulmaczewski, Rafał, Trzop, Elzbieta, Kershaw Cook, Laurence J., 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. University of Leeds. [Dataset] https://doi.org/10.5518/292

Halcrow, Malcolm A., Burrows, Kay E., McGrath, Sarah E., Kulmaczewski, Rafał, 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. University of Leeds. [Dataset] https://doi.org/10.5518/184