Research Data Leeds Repository

A

Anamari Mohandas, Reshma and Freeman, Joshua and Davies, A Giles and Linfield, Edmund and Dean, Paul and Ponnampalam, Lalitha and Fice, Martyn and Seeds, Alwyn and Cannard, Paul J and Robertson, Michael J and Moodie, David G and Rosamond, Mark C and Natrella, Michele (2017) Dataset for ‘Terahertz generation mechanism in nano-grating electrode photomixers on Fe doped InGaAsP’. [Dataset]

B

Berrow, Stuart and Raistrick, Thomas and Mandle, Richard and Gleeson, Helen (2024) Dataset associated with "Structure-Property Relationships in Auxetic Liquid Crystal Elastomers – The Effect of Spacer Length". [Dataset]

Brown, Christa P. and Hughes, Matt D. G. and Mahmoudi, Najet and Brockwell, David J. and Coletta, Louise and Peyman, Sally A. and Evans, Stephen D. and Dougan, Lorna (2023) Encapsulation of Microbubbles within Folded Protein Hydrogels: Effects on the mechanical and structural properties. [Dataset]

Bushby, Richard J. and Bramble, Jonathan P. and Tate, Daniel J. and Evans, Stephen D. and Lydon, John E. (2021) Alternating Defects and Egg and Dart Textures in De-wetted Stripes of Discotic Liquid Crystal. [Dataset]

C

Chappell, Helen and Brooks, Rebecca and Morris, Rhiannon and Smith, James and Pereira, Dora and Powell, Jonathan (2024) IHAT Surface Modelling. [Dataset]

Cookson, Nikki J. and Fowler, Jonathan M. and Martin, David P. and Fisher, Julie and Henkelis, James J. and Ronson, Tanya K. and Thorp-Greenwood, Flora L. and Willans, Charlotte E. and Hardie, Michaele J. (2017) Metallo-cryptophane cages from cis-linked and trans-linked strategies. [Dataset]

D

Dougan, Lorna and Lenton, Samuel and Rhys, Natasha and Towey, James and Soper, Alan (2017) Perchlorate neutron data. [Dataset]

Dunn, Thomas and Amland Skaanvik, Sebastian and McPherson, Ian J. and O'Shaughnessy, Cedrick and He, Xuefeng and Kulak, Alexander N. and Micklethwaite, Stuart and Matamoros-Veloza, Adriana and Sandei, Ilaria and Hunter, Liam and Turner, Thomas D. and Galloway, Johanna M. and Rosenthal, Martin and Britton, Andrew J. and Walker, Marc and Mingdong, Dong and Unwin, Patrick R. and Meldrum, Fiona C. (2024) The Universality of Hair as a Nucleant: Exploring the Effects of Surface Chemistry and Topography. [Dataset]

G

Green, David (2019) Dataset for Skin-deep Patterning of Calcite. [Dataset]

H

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

Halcrow, Malcolm A. and Capel Berdiell, Izar and Davies, Daniel J. and Woodworth, Jack and Kulmaczewski, Rafal 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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

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. [Dataset]

Hardie, Michaele and Arkawazi, Hayder and Clowes, Rob and Cooper, Andrew and Konno, Takumi and Kuwamura, Naoto and Pask, Christopher (2018) Data to support study "Complex phase behavior and structural transformations of metal-organic frameworks with mixed rigid and flexible bridging ligands". [Dataset]

Hardie, Michaele and Fowler, Jonathan and Britton, Edward and Pask, Christopher and Willans, Charlotte (2019) Data to support "Cyclotriveratrylene-tethered trinuclear palladium(II)-NHC com-plexes; reversal of site selectivity in Suzuki-Miyaura reactions". [Dataset]

Hardie, Michaele and Fowler, Jonathan and Thorp-Greenwood, Flora and Willans, Charlotte and Warriner, Stuart (2016) M12L8 metallo-supramolecular cube with cyclotriguaiacylene-type ligand: spontaneous resolution of cube and its constituent host ligand. [Dataset]

Hardie, Michaele and Oldknow, Samuel and Rota Martir, Diego and Pritchard, Victoria and Blitz, Mark and Fishwick, Colin and Zysman-Colman, Eli (2018) Data to support study "Structure-switching M3L2 Ir(III) coordination cages with photo-isomerising azo-aromatic groups". [Dataset]

Hardie, Michaele and Pritchard, Victoria and Thorp-Greenwood, Flora and Coogan, Michael (2016) Data to support study of synthesis and characterisation of rhenium tricarbonyl polypyridine-functionalised cyclotriguaiacyclene ligands. [Dataset]

Hardie, Michaele and Thorp-Greenwood, Flora and Berry, Gilberte Therese and Boyadjieva, Sophia and Oldknow, Samuel (2018) Data to support study "2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand". [Dataset]

Hardie, Michaele and Thorp-Greenwood, Flora and Brennan, Alexander and Oldknow, Samuel and Henkelis, James and Simmons, Katie and Fishwick, Colin (2016) Data to support study of synthesis of pseudorotaxanes from pillar[5]arene and cyclotriguaiacyclene-type axles. [Dataset]

Hardie, Michaele and Thorp-Greenwood, Flora and Howard, Mark and Lars, Kuhn (2019) Data to support study 'Fully collapsed “imploded” cryptophanes in solution and the solid state'. [Dataset]

Hardie, Michaele J. and Britton, Edward and Ansell, Richard J. and Howard, Mark J. (2021) Palladium azo cages. [Dataset]

K

Kendrick, John and Burnett, Andrew (2019) Data associated with Exploring the Reliability of DFT Calculations of the Infrared and Terahertz Spectra of Sodium Peroxodisulfate. [Dataset]

Kendrick, John and Burnett, Andrew (2019) Data associated with the calculation of the infrared and terahertz spectrum of sodium peroxodisulfate. [Dataset]

Kim, Yi-Yeoun (2016) Dataset for 'Strain-Relief by Single Dislocation Loops in Calcite Crystals Grown on Self-Assembled Monolayers'. [Dataset]

Kim, Yi-Yeoun (2016) Dataset for 'Tuning hardness in calcite by incorporation of amino acids'. [Dataset]

Kim, Yi-Yeoun and Freeman, Colin L. and Gong, Xiuqing and Levenstein, Mark A. and Wang, Yunwei and Kulak, Alexander and Anduix‐Canto, Clara and Lee, Phillip A. and Li, Shunbo and Chen, Li and Christenson, Hugo K. and Meldrum, Fiona C. (2017) The effect of additives on the early stages of growth of calcite single crystals - dataset. [Dataset]

L

Lehman, Julia H. and Lewandowski, Heather J. and Roberts, Frances C. (2020) A Rapid, Spatially Dispersive Frequency Comb Spectrograph aimed at Gas Phase Chemical Reaction Kinetics - dataset. [Dataset]

M

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. [Dataset]

N

Nguyen, Thai TH and Rosbottom, Ian and Marziano, Ivan and Hammond, Robert B and Roberts, Kevin J (2017) Crystal Morphology and Interfacial Stability of RS-Ibuprofen in Relation to Its Molecular and Synthonic Structure dataset. [Dataset]

P

Potter, David G. and Blitz, Mark A. and Seakins, Paul W. (2019) Data for A Generic Method for Determining R + O2 Rate Parameters via OH Regeneration. [Dataset]

Potter, David G. and Wiseman, Scott and Blitz, Mark A. and Seakins, Paul W. (2018) Dataset for 'Laser Photolysis Kinetic Study of OH Radical Reactions with Methyl tert-Butyl Ether and Trimethyl Orthoformate under Conditions Relevant to Low Temperature Combustion: Measurements of Rate Coefficients and OH Recycling'. [Dataset]

V

Vergara-Temprado, Jesús and Holden, Mark and Orton, Thomas R. and O’Sullivan, Daniel and Umo, Nsikanabasi S. and Browse, Jo and Reddington, Carly and Baeza-Romero, María Teresa and Jones, Jenny M. and Lea-Langton, Amanda and Williams, Alan and Carslaw, Ken S. and Murray, Benjamin J. (2018) Is black carbon an unimportant ice-nucleating particle in mixed-phase clouds? Dataset. [Dataset]

W

Wright, Megan and Warriner, Stuart and Field (nee Legge), Devon and White, Jack (2023) FPR1 photoaffinity probe - associated data. [Dataset]