Instruments by Science Group
Macromolecular
Soft Condensed 
Imaging and
Biological
Magnetic
Structures and
Crystallography 
Spectroscopy I19 Contact
Beamline Phone Number:
+44 (0) 1235 778418
Principal Beamline Scientist:
Dave Allan
Tel: +44 (0) 1235 778644
E-mail: [email protected]
Science Group Leader
Philip Chater
Email: [email protected]
Tel: +44 (0)1235 778677
I19 Small Molecule Single Crystal Diffraction
Status: Operational
Wavelength: 0.5 - 2.5 Å
Energy: 5 - 25 keV
Energy: 5 - 25 keV
User Publications
These papers are all based at least in part on data gathered on beamline I19. If you have published a paper based on data from I19 which doesn't appear here, please send a reference (ideally including a DOI) to us.
63 items found for 2021 [total: 1014]
MOF–stabilized perfluorinated palladium cages catalyze the additive–free aerobic oxidation of aliphatic alcohols to acids Chemistry – A European Journal, Dec 2021 DOI: 10.1002/chem.202103781
Journal Paper I19-Small Molecule Single Crystal Diffraction
Studies of the temperature dependence of the structure and magnetism of a hexagonal-bipyramidal dysprosium(III) single-molecule magnet Inorganic Chemistry, Dec 2021 DOI: 10.1021/acs.inorgchem.1c02779
A Peierls transition in long polymethine molecular wires: evolution of molecular geometry and single-molecule conductance Journal Of The American Chemical Society, 23 Nov 2021 DOI: 10.1021/jacs.1c10747
Journal Paper I19-Small Molecule Single Crystal Diffraction
Dynamic dimer copper coordination redox shuttles Chem, 5 Nov 2021 DOI: 10.1016/j.chempr.2021.10.017
Journal Paper I19-Small Molecule Single Crystal Diffraction
Phase stability in molecular materials at extreme conditions of temperature and pressure Nov 2021 DOI: 10.7488/era/1697
Thesis I19-Small Molecule Single Crystal Diffraction
Self-assembly of a trigonal bipyramidal architecture with stabilisation of iron in three spin states Chemical Communications, 469 Oct 2021 DOI: 10.1039/D1CC04413C
Extended condensed ultraphosphate frameworks with monovalent ions combine lithium mobility with high computed electrochemical stability Journal Of The American Chemical Society, 306 Oct 2021 DOI: 10.1021/jacs.1c07874
An electric field cell for performing in situ single-crystal synchrotron X-ray diffraction Journal Of Applied Crystallography, 54 Oct 2021 DOI: 10.1107/S1600576721007469
Lithium half-salen complexes: Synthesis, structural characterization and studies as catalysts for rac-lactide ring-opening polymerization European Journal Of Organic Chemistry, 2021 Oct 2021 DOI: 10.1002/ejoc.202100981
A family of externally-functionalised coordination cages Chemistry, 3 Oct 2021 DOI: 10.3390/chemistry3040088
Derisking the polymorph landscape: The complex polymorphism of mexiletine hydrochloride Crystal Growth & Design, 3 Oct 2021 DOI: 10.1021/acs.cgd.1c01009
Journal Paper I19-Small Molecule Single Crystal Diffraction
Organic cage inclusion crystals exhibiting guest-enhanced multiphoton harvesting Chem, 99 Oct 2021 DOI: 10.1016/j.chempr.2021.09.016
Spin-states of diastereomeric iron(ii) complexes of 2,6-bis(thiazolin-2-yl)pyridine (thiopybox) ligands and a comparison with the corresponding pybox derivatives Inorganic Chemistry, Sept 2021 DOI: 10.1021/acs.inorgchem.1c01988
Journal Paper I19-Small Molecule Single Crystal Diffraction
Formation of a hydride containing amido-zincate using pinacolborane Dalton Transactions, Sept 2021 DOI: 10.1039/D1DT02580E
Amino-capped zinc oxide modified tin oxide electron transport layer for efficient perovskite solar cells Cell Reports Physical Science, 517 Sept 2021 DOI: 10.1016/j.xcrp.2021.100590
Guest-mediated phase transitions in a flexible pillared-layered metal-organic framework under high-pressure Chemical Science, Sept 2021 DOI: 10.1039/D1SC03108B
Chiral porous CN-bridged coordination polymer mimicking MOF-74 and showing magnetization photoswitching Chemical Communications, 20 Sept 2021 DOI: 10.1039/D1CC03870B
Investigating X-ray damage to small molecular crystals Sept 2021
Science Highlight I11-High Resolution Powder Diffraction I19-Small Molecule Single Crystal Diffraction
Synthesis and enhanced capture properties of a new BioMOF@SWCNT-BP: Recovery of the endangered rare-earth elements from aqueous systems Advanced Materials Interfaces, 8 Aug 2021 DOI: 10.1002/admi.202100730
Structural and electronic effects of X-ray irradiation on prototypical [M(COD)Cl]2 catalysts The Journal Of Physical Chemistry A, Aug 2021 DOI: 10.1021/acs.jpca.1c05759
Orthogonal binding and displacement of different guest types using a coordination cage host with cavity-based and surface-based binding sites Chemical Science, Aug 2021 DOI: 10.1039/D1SC04272F
Mapping of N-C bond formation from a series of crystalline peri-substituted naphthalenes by charge density and solid-state NMR methodologies Angewandte Chemie International Edition, Aug 2021 DOI: 10.1002/anie.202111100
Isolation and identification of pseudo seven-coordinate Ru(iii) intermediate completing the catalytic cycle of Ru-bda type of water oxidation catalysts Ccs Chemistry, Aug 2021 DOI: 10.31635/ccschem.021.202101159
Self-assembly and host–guest interactions of Pd3L2 metallo-cryptophanes with photoisomerizable ligands Inorganic Chemistry, 3 Aug 2021 DOI: 10.1021/acs.inorgchem.1c01297
A quantum crystallographic approach to short hydrogen bonds Crystengcomm, 10 Aug 2021 DOI: 10.1039/D1CE00355K
Coordination cages selectively transport molecular cargoes across liquid membranes Journal Of The American Chemical Society, Aug 2021 DOI: 10.1021/jacs.1c04799
Highly stable perovskite solar cells with a novel Ni-based metal organic complex as dopant-free hole-transporting material Journal Of Energy Chemistry, 65 Jul 2021 DOI: 10.1016/j.jechem.2021.06.005
Journal Paper I19-Small Molecule Single Crystal Diffraction
A curved host and second guest cooperatively inhibit the dynamic motion of corannulene Nature Communications, 12 Jul 2021 DOI: 10.1038/s41467-021-24344-w
Enantioselective recognition of racemic amino alcohols in aqueous solution by chiral metal-oxide keplerate {Mo132}-cluster capsules Chemistry – A European Journal, Jul 2021 DOI: 10.1002/chem.202100899
Finding order in disordered porous materials Jul 2021
Diamond Annual Review Highlight I19-Small Molecule Single Crystal Diffraction
Self-assembly of angiotensin-converting enzyme inhibitors captopril and lisinopril and their crystal structures Langmuir, 16 Jul 2021 DOI: 10.1021/acs.langmuir.1c01340
Hydrophobic interactions of Ru-bda-type catalysts for promoting water oxidation activity Energy & Fuels, Jul 2021 DOI: 10.1021/acs.energyfuels.1c02097
Post‐synthetic modification unlocks a 2D‐to‐3D switch in MOF breathing response: a single‐crystal‐diffraction mapping study Angewandte Chemie International Edition, June 2021 DOI: 10.1002/anie.202105272
Journal Paper I11-High Resolution Powder Diffraction I19-Small Molecule Single Crystal Diffraction open access
Controlled light and temperature induced valence tautomerism in a cobalt-o-dioxolene complex Inorganic Chemistry, June 2021 DOI: 10.1021/acs.inorgchem.1c00638
Journal Paper I19-Small Molecule Single Crystal Diffraction
Highly efficient removal of neonicotinoid insecticides by thioether-based (multivariate) metal–organic frameworks Acs Applied Materials & Interfaces, June 2021 DOI: 10.1021/acsami.1c08833
Sterics and hydrogen bonding control stereochemistry and self-sorting in binol-based assemblies Journal Of The American Chemical Society, 71 June 2021 DOI: 10.1021/jacs.1c05172
Structural reasons for the formation of multicomponent products and the influence of high pressure Acta Crystallographica Section B Structural Science, Crystal Engineering And Materials, 77 June 2021 DOI: 10.1107/S2052520621004492
Journal Paper I19-Small Molecule Single Crystal Diffraction
Clusters and single atoms of Pd and Pt: Synthesis and applications in catalysis and as antitumoral agents June 2021
Thesis I19-Small Molecule Single Crystal Diffraction
The effect of tether groups on the spin states of iron(ii)/bis[2,6-di(pyrazol-1-yl)pyridine] complexes Dalton Transactions, 233–235 May 2021 DOI: 10.1039/D1DT01076J
Journal Paper I19-Small Molecule Single Crystal Diffraction
High-pressure crystal structure and unusual magnetoresistance of a single-component molecular conductor [Pd(dddt)2] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) Crystals, 11 May 2021 DOI: 10.3390/cryst11050534
Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA Crystengcomm, 2 May 2021 DOI: 10.1039/D1CE00577D
Journal Paper I19-Small Molecule Single Crystal Diffraction
Diastereoselective rearomative etherifications and aminations of 2,3,9,9a-tetrahydro-1H-carbazoles Tetrahedron, 89 Apr 2021 DOI: 10.1016/j.tet.2021.132144
Journal Paper I19-Small Molecule Single Crystal Diffraction
Crystallography companion agent for high-throughput materials discovery Nature Computational Science, 559 Apr 2021 DOI: 10.1038/s43588-021-00059-2
Exceptional packing density of ammonia in a dual-functionalized metal–organic framework Journal Of The American Chemical Society, 361 Apr 2021 DOI: 10.1021/jacs.1c01749
Journal Paper I11-High Resolution Powder Diffraction I19-Small Molecule Single Crystal Diffraction open access
Inherent ethyl acetate selectivity in a trianglimine molecular solid Chemistry – A European Journal, Apr 2021 DOI: 10.1002/chem.202101510
Journal Paper I11-High Resolution Powder Diffraction I19-Small Molecule Single Crystal Diffraction open access
Exploiting host-guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages Chemical Science, 12 Mar 2021 DOI: 10.1039/D1SC00647A
Controlled synthesis of large single crystals of metal‐organic framework CPO‐27‐Ni prepared by a modulation approach: in situ single crystal X‐ray diffraction studies Chemistry – A European Journal, Mar 2021 DOI: 10.1002/chem.202100528
A series of crystallographically characterized linear and branched σ-alkane complexes of rhodium: From propane to 3-methylpentane Journal Of The American Chemical Society, 38 Mar 2021 DOI: 10.1021/jacs.1c00738
Unveiling the role of the lone electron pair in sesquioxides at high pressure: compressibility of β-Sb2O3 Dalton Transactions, 854 Mar 2021 DOI: 10.1039/D1DT00268F
Journal Paper I19-Small Molecule Single Crystal Diffraction
The flexibility of long chain substituents influences spin-crossover in isomorphous lipid bilayer crystals Chemical Communications, 8 Mar 2021 DOI: 10.1039/D1CC01073E
Journal Paper I19-Small Molecule Single Crystal Diffraction
Alkali metal salts of 10,12-pentacosadiynoic acid and their dosimetry applications Crystal Growth & Design, 21 Mar 2021 DOI: 10.1021/acs.cgd.1c00031
Sodium cation-templated synthesis of an ion-pair binding heteroditopic [2]catenane Organic Chemistry Frontiers, 10 Mar 2021 DOI: 10.1039/D1QO00247C
Journal Paper I19-Small Molecule Single Crystal Diffraction
Gold(i) bridged dimeric and trimeric heterometallic {Cr7Ni}-based qubit systems and their characterization Dalton Transactions, 42 Mar 2021 DOI: 10.1039/D1DT00150G
Controlling the shape and chirality of an eight-crossing molecular knot Chem, 109 Mar 2021 DOI: 10.1016/j.chempr.2021.03.005
Journal Paper I19-Small Molecule Single Crystal Diffraction
Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters Rsc Advances, 11 Mar 2021 DOI: 10.1039/D1RA00175B
Soluble/MOF-supported palladium single atoms catalyze the ligand-, additive-, and solvent-free aerobic oxidation of benzyl alcohols to benzoic acids Journal Of The American Chemical Society, Feb 2021 DOI: 10.1021/jacs.0c12367
[CrIII8NiII6]n+ heterometallic coordination cubes Molecules, 26 Feb 2021 DOI: 10.3390/molecules26030757
Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives Crystengcomm, 6 Feb 2021 DOI: 10.1039/D1CE00039J
Selective gas uptake and rotational dynamics in a (3,24)-connected metal–organic framework material Journal Of The American Chemical Society, 71 Feb 2021 DOI: 10.1021/jacs.0c11202
Journal Paper I19-Small Molecule Single Crystal Diffraction
Multifunctionality in an ion-exchanged porous metal–organic framework Journal Of The American Chemical Society, Jan 2021 DOI: 10.1021/jacs.0c10421
Journal Paper I19-Small Molecule Single Crystal Diffraction
A chiral cyclometalated iridium Star of David [2]catenane Journal Of The American Chemical Society, Jan 2021 DOI: 10.1021/jacs.0c12038
Journal Paper I19-Small Molecule Single Crystal Diffraction
- Rossella Greco, Estefanía Tiburcio-Fortes, Antonio Fernandez, Carlo Marini, Alejandro Vidal-Moya, Judit Oliver-Meseguer, Donatella Armentano, Emilio Pardo, Jesus Ferrando-Soria, Antonio Leyva-Perez, "MOF–stabilized perfluorinated palladium cages catalyze the additive–free aerobic oxidation of aliphatic alcohols to acids", Chemistry – A European Journal (2021), DOI: 10.1002/chem.202103781
- You-Song Ding, William J. A. Blackmore, Yuan-Qi Zhai, Marcus J. Giansiracusa, Daniel Reta, Inigo Vitórica-Yrezábal, Richard E. P. Winpenny, Nicholas F. Chilton, Yan-Zhen Zheng, "Studies of the temperature dependence of the structure and magnetism of a hexagonal-bipyramidal dysprosium(III) single-molecule magnet", Inorganic Chemistry (2021), DOI: 10.1021/acs.inorgchem.1c02779
- Alice E. Dearle, Daniel J. Cutler, Marco Coletta, Edward Lee, Sourav Dey, Sergio Sanz, Hector W. L. Fraser, Gary Nichol, Gopalan Rajaraman, Jürgen Schnack, Leroy Cronin, Euan K. Brechin, "An [FeIII30] molecular metal oxide", Chemical Communications, 58, 52-55 (2021), DOI: 10.1039/D1CC06224G
- Wenjun Xu, Edmund Leary, Sara Sangtarash, Michael Jirasek, M. Teresa González, Kirsten E. Christensen, Lydia Abellán Vicente, Nicolás Agraït, Simon J. Higgins, Richard J. Nichols, Colin J. Lambert, Harry L. Anderson, "A Peierls transition in long polymethine molecular wires: evolution of molecular geometry and single-molecule conductance", Journal Of The American Chemical Society, 23 (2021), DOI: 10.1021/jacs.1c10747
- Iacopo Benesperi, Hannes Michaels, Tomas Edvinsson, Michele Pavone, Michael R. Probert, Paul Waddell, Ana Belén Muñoz-García, Marina Freitag, "Dynamic dimer copper coordination redox shuttles", Chem, 5 (2021), DOI: 10.1016/j.chempr.2021.10.017
- [Thesis] Giulia Novelli, "Phase stability in molecular materials at extreme conditions of temperature and pressure" (2021), DOI: 10.7488/era/1697
- Lauren L. K. Taylor, Iñigo J. Vitorica-Yrezabal, Ivana Borilović, Floriana Tuna, Imogen A. Riddell, "Self-assembly of a trigonal bipyramidal architecture with stabilisation of iron in three spin states", Chemical Communications, 469 (2021), DOI: 10.1039/D1CC04413C
- Guopeng Han, Andrij Vasylenko, Alex R. Neale, Benjamin B. Duff, Ruiyong Chen, Matthew S. Dyer, Yun Dang, Luke Daniels, Marco Zanella, Craig Robertson, Laurence J. Kershaw Cook, Anna-Lena Hansen, Michael Knapp, Laurence J. Hardwick, Frédéric Blanc, John B. Claridge, Matthew J. Rosseinsky, "Extended condensed ultraphosphate frameworks with monovalent ions combine lithium mobility with high computed electrochemical stability", Journal Of The American Chemical Society, 306 (2021), DOI: 10.1021/jacs.1c07874
- Lucy K. Saunders, Hamish H.-M. Yeung, Mark Warren, Peter Smith, Stuart Gurney, Stephen F. Dodsworth, Inigo Vitorica-Yrezabal, Adrian Wilcox, Paul V. Hathaway, Geoff Preece, Paul Roberts, Sarah A. Barnett, David R. Allan, "An electric field cell for performing in situ single-crystal synchrotron X-ray diffraction", Journal Of Applied Crystallography, 54 (2021), DOI: 10.1107/S1600576721007469
- Yali Zhou, Gary S. Nichol, Jennifer A. Garden, "Lithium half-salen complexes: Synthesis, structural characterization and studies as catalysts for rac-lactide ring-opening polymerization", European Journal Of Organic Chemistry, 2021, 5557 - 5568 (2021), DOI: 10.1002/ejoc.202100981
- Garrett D. Jackson, Max B. Tipping, Christopher G. P. Taylor, Jerico R. Piper, Callum Pritchard, Cristina Mozaceanu, Michael D. Ward, "A family of externally-functionalised coordination cages", Chemistry, 3, 1203 - 1214 (2021), DOI: 10.3390/chemistry3040088
- Jessica L. Andrews, Sten O. Nilsson Lill, Stefanie Freitag-Pohl, David C. Apperley, Dmitry Yufit, Andrei S. Batsanov, Matthew T. Mulvee, Katharina Edkins, James F. Mccabe, David J. Berry, Michael R. Probert, Jonathan W. Steed, "Derisking the polymorph landscape: The complex polymorphism of mexiletine hydrochloride", Crystal Growth & Design, 3 (2021), DOI: 10.1021/acs.cgd.1c01009
- Guo-Hong Ning, Peng Cui, Igor V. Sazanovich, James T. Pegg, Qiang Zhu, Zhongfu Pang, Rong-Jia Wei, Mike Towrie, Kim E. Jelfs, Marc A. Little, Andrew I. Cooper, "Organic cage inclusion crystals exhibiting guest-enhanced multiphoton harvesting", Chem, 99 (2021), DOI: 10.1016/j.chempr.2021.09.016
- Namrah Shahid, Kay E. Burrows, Mark J. Howard, Christopher M. Pask, Oscar Cespedes, Patrick C. Mcgowan, Malcolm A. Halcrow, "Spin-states of diastereomeric iron(ii) complexes of 2,6-bis(thiazolin-2-yl)pyridine (thiopybox) ligands and a comparison with the corresponding pybox derivatives", Inorganic Chemistry (2021), DOI: 10.1021/acs.inorgchem.1c01988
- Marina Uzelac, Kang Yuan, Gary S. Nichol, Michael J. Ingleson, "Formation of a hydride containing amido-zincate using pinacolborane", Dalton Transactions (2021), DOI: 10.1039/D1DT02580E
- Rongjun Zhao, Linqin Wang, Jing Huang, Xiaohe Miao, Licheng Sun, Yong Hua, Yude Wang, "Amino-capped zinc oxide modified tin oxide electron transport layer for efficient perovskite solar cells", Cell Reports Physical Science, 517 (2021), DOI: 10.1016/j.xcrp.2021.100590
- Gemma F. Turner, Scott C. Mckellar, David Robert Allan, Anthony K. Cheetham, Sebastian Henke, Stephen A. Moggach, "Guest-mediated phase transitions in a flexible pillared-layered metal-organic framework under high-pressure", Chemical Science (2021), DOI: 10.1039/D1SC03108B
- Michal Magott, Dawid Pinkowicz, "Chiral porous CN-bridged coordination polymer mimicking MOF-74 and showing magnetization photoswitching", Chemical Communications, 20 (2021), DOI: 10.1039/D1CC03870B
- [Science Highlight] Diamond Light Source, "Investigating X-ray damage to small molecular crystals" (2021)
- Antonio Tursi, Teresa F. Mastropietro, Rosaria Bruno, Mariafrancesca Baratta, Jesus Ferrando-Soria, Alexander I. Mashin, Fiore P. Nicoletta, Emilio Pardo, Giovanni De Filpo, Donatella Armentano, "Synthesis and enhanced capture properties of a new BioMOF@SWCNT-BP: Recovery of the endangered rare-earth elements from aqueous systems", Advanced Materials Interfaces, 8 (2021), DOI: 10.1002/admi.202100730
- Nathalie K. Fernando, Andrew B. Cairns, Claire A. Murray, Amber L. Thompson, Joshua L. Dickerson, Elspeth F. Garman, Nayera Ahmed, Laura E. Ratcliff, Anna Regoutz, "Structural and electronic effects of X-ray irradiation on prototypical [M(COD)Cl]2 catalysts", The Journal Of Physical Chemistry A (2021), DOI: 10.1021/acs.jpca.1c05759
- Michael Ludden, Christopher G. P. Taylor, Michael D. Ward, "Orthogonal binding and displacement of different guest types using a coordination cage host with cavity-based and surface-based binding sites", Chemical Science (2021), DOI: 10.1039/D1SC04272F
- John D. Wallis, Gregory J Rees, Mateusz B. Pitak, Alberth Lari, Stephen P. Day, Jonathan R. Yates, Peter Gierth, Kristian Barnsley, Mark E. Smith, Simon J. Coles, John V. Hanna, "Mapping of N-C bond formation from a series of crystalline peri-substituted naphthalenes by charge density and solid-state NMR methodologies", Angewandte Chemie International Edition (2021), DOI: 10.1002/anie.202111100
- Tianqi Liu, Ge Li, Nannan Shen, Linqin Wang, Brian J. J. Timmer, Shengyang Zhou, Biaobiao Zhang, Alexander Kravchenko, Bo Xu, Mårten S. G. Ahlquist, Licheng Sun, "Isolation and identification of pseudo seven-coordinate Ru(iii) intermediate completing the catalytic cycle of Ru-bda type of water oxidation catalysts", Ccs Chemistry (2021), DOI: 10.31635/ccschem.021.202101159
- Edward Britton, Richard J. Ansell, Mark J. Howard, Michaele J. Hardie, "Self-assembly and host–guest interactions of Pd3L2 metallo-cryptophanes with photoisomerizable ligands", Inorganic Chemistry, 3 (2021), DOI: 10.1021/acs.inorgchem.1c01297
- Lucy Saunders, Anuradha R. Pallipurath, Matthias J. Gutmann, Harriott Nowell, Ningjin Zhang, David R. Allan, "A quantum crystallographic approach to short hydrogen bonds", Crystengcomm, 10 (2021), DOI: 10.1039/D1CE00355K
- Bao-Nguyen T. Nguyen, John D. Thoburn, Angela B. Grommet, Duncan J. Howe, Tanya K. Ronson, Hugh P. Ryan, Jeanne L. Bolliger, Jonathan R. Nitschke, "Coordination cages selectively transport molecular cargoes across liquid membranes", Journal Of The American Chemical Society (2021), DOI: 10.1021/jacs.1c04799
- Tai Wu, Linqin Wang, Rongjun Zhao, Rongshan Zhuang, Kanghong Zhao, Gaoyuan Liu, Jing Huang, Licheng Sun, Yong Hua, "Highly stable perovskite solar cells with a novel Ni-based metal organic complex as dopant-free hole-transporting material", Journal Of Energy Chemistry, 65, 312 - 318 (2021), DOI: 10.1016/j.jechem.2021.06.005
- Yang Yang, Tanya K. Ronson, Zifei Lu, Jieyu Zheng, Nicolas Vanthuyne, Alexandre Martinez, Jonathan R. Nitschke, "A curved host and second guest cooperatively inhibit the dynamic motion of corannulene", Nature Communications, 12 (2021), DOI: 10.1038/s41467-021-24344-w
- Lee Cronin, Robert Pow, Zoe Sinclair, Nicola Bell, Nancy Watfa, Yousef Abul-Haija, Deliang Long, "Enantioselective recognition of racemic amino alcohols in aqueous solution by chiral metal-oxide keplerate {Mo132}-cluster capsules", Chemistry – A European Journal (2021), DOI: 10.1002/chem.202100899
- [Diamond Annual Review Highlight] Andrew Goodwin, "Finding order in disordered porous materials" (2021)
- Valeria Castelletto, Jani Seitsonen, Janne Ruokolainen, Sarah A. Barnett, Callum Sandu, Ian W. Hamley, "Self-assembly of angiotensin-converting enzyme inhibitors captopril and lisinopril and their crystal structures", Langmuir, 16 (2021), DOI: 10.1021/acs.langmuir.1c01340
- Tianqi Liu, Ge Li, Nannan Shen, Mårten S. G. Ahlquist, Licheng Sun, "Hydrophobic interactions of Ru-bda-type catalysts for promoting water oxidation activity", Energy & Fuels (2021), DOI: 10.1021/acs.energyfuels.1c02097
- Lee Brammer, Elliot J. Carrington, Stephen F. Dodsworth, Sandra Van Meurs, Mark R. Warren, "Post‐synthetic modification unlocks a 2D‐to‐3D switch in MOF breathing response: a single‐crystal‐diffraction mapping study", Angewandte Chemie International Edition (2021), DOI: 10.1002/anie.202105272
- Ludmila Leroy, Thiago M. Francisco, Helena J. Shepherd, Mark R. Warren, Lucy K. Saunders, David A. Shultz, Paul R. Raithby, Carlos B. Pinheiro, "Controlled light and temperature induced valence tautomerism in a cobalt-o-dioxolene complex", Inorganic Chemistry (2021), DOI: 10.1021/acs.inorgchem.1c00638
- Cristina Negro, Héctor Martínez Pérez-Cejuela, Ernesto F. Simó-Alfonso, José Manuel Herrero-Martínez, Rosaria Bruno, Donatella Armentano, Jesus Ferrando-Soria, Emilio Pardo, "Highly efficient removal of neonicotinoid insecticides by thioether-based (multivariate) metal–organic frameworks", Acs Applied Materials & Interfaces (2021), DOI: 10.1021/acsami.1c08833
- You-Quan Zou, Dawei Zhang, Tanya K. Ronson, Andrew Tarzia, Zifei Lu, Kim E. Jelfs, Jonathan R. Nitschke, "Sterics and hydrogen bonding control stereochemistry and self-sorting in binol-based assemblies", Journal Of The American Chemical Society, 71 (2021), DOI: 10.1021/jacs.1c05172
- Krzysztof Konieczny, Julia Bąkowicz, Damian Paliwoda, Mark R. Warren, Arkadiusz Ciesielski, Michał K. Cyrański, Ilona Turowska-Tyrk, "Structural reasons for the formation of multicomponent products and the influence of high pressure", Acta Crystallographica Section B Structural Science, Crystal Engineering And Materials, 77, 321 - 330 (2021), DOI: 10.1107/S2052520621004492
- [Thesis] Rossella Greco, "Clusters and single atoms of Pd and Pt: Synthesis and applications in catalysis and as antitumoral agents" (2021)
- Izar Capel Berdiell, Victor García-López, Mark J. Howard, Miguel Clemente-León, Malcolm A. Halcrow, "The effect of tether groups on the spin states of iron(ii)/bis[2,6-di(pyrazol-1-yl)pyridine] complexes", Dalton Transactions, 233–235 (2021), DOI: 10.1039/D1DT01076J
- Hengbo Cui, Hamish H.-M. Yeung, Yoshitaka Kawasugi, Takaaki Minamidate, Lucy K. Saunders, Reizo Kato, "High-pressure crystal structure and unusual magnetoresistance of a single-component molecular conductor [Pd(dddt)2] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate)", Crystals, 11 (2021), DOI: 10.3390/cryst11050534
- Jonathan G. Richardson, Asato Mizuno, Yoshiaki Shuku, Kunio Awaga, Neil Robertson, Carole A. Morrison, Mark R. Warren, David R. Allan, Stephen A. Moggach, "Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA", Crystengcomm, 2 (2021), DOI: 10.1039/D1CE00577D
- Matokah M. Abualnaja, Joseph Cowell, John D. Jolliffe, Corinne Wills, Paul G. Waddell, William Clegg, Michael J. Hall, "Diastereoselective rearomative etherifications and aminations of 2,3,9,9a-tetrahydro-1H-carbazoles", Tetrahedron, 89, 132144 (2021), DOI: 10.1016/j.tet.2021.132144
- Phillip M. Maffettone, Lars Banko, Peng Cui, Yury Lysogorskiy, Marc A. Little, Daniel Olds, Alfred Ludwig, Andrew I. Cooper, "Crystallography companion agent for high-throughput materials discovery", Nature Computational Science, 559 (2021), DOI: 10.1038/s43588-021-00059-2
- Christopher Marsh, Xue Han, Jiangnan Li, Zhenzhong Lu, Stephen Argent, Ivan Da Silva, Yongqiang Cheng, Luke L. Daemen, Anibal J. Ramirez-Cuesta, Stephen P. Thompson, Alexander J. Blake, Sihai Yang, Martin Schroeder, "Exceptional packing density of ammonia in a dual-functionalized metal–organic framework", Journal Of The American Chemical Society, 361 (2021), DOI: 10.1021/jacs.1c01749
- Donglin He, Chengxi Zhao, Linjiang Chen, Marc Little, Samantha Chong, Rob Clowes, Katherine Mckie, Mark Roper, Graeme Day, Ming Liu, Andrew Cooper, "Inherent ethyl acetate selectivity in a trianglimine molecular solid", Chemistry – A European Journal (2021), DOI: 10.1002/chem.202101510
- Aaron J Scott, Euan K. Brechin, Stergios Piligkos, Gopalan Rajaraman, Mark Murrie, Simon Coles, Wim T. Klooster, Gary S. Nichol, Paul Lusby, Lucy Smythe, Arup Sarkar, Julia Vallejo, Emma Regincos Marti, "Exploiting host-guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages", Chemical Science, 12, 5134-5142 (2021), DOI: 10.1039/D1SC00647A
- Marco Coletta, Thomais G. Tziotzi, Mark Gray, Gary S. Nichol, Mukesh K. Singh, Constantinos J. Milios, Euan K. Brechin, "A [Mn18] wheel-of-wheels", Chemical Communications, 116, 4122-4125 (2021), DOI: 10.1039/D1CC00185J
- Simon Maximilian Vornholt, Caroline Elliott, Cameron Rice, Samantha Russell, Peter J. Kerr, Daniel N. Rainer, Michal Mazur, Mark R. Warren, Paul S. Wheatley, Russell E. Morris, "Controlled synthesis of large single crystals of metal‐organic framework CPO‐27‐Ni prepared by a modulation approach: in situ single crystal X‐ray diffraction studies", Chemistry – A European Journal (2021), DOI: 10.1002/chem.202100528
- Alexander J. Bukvic, Arron L. Burnage, Graham J. Tizzard, Antonio J. Martinez-Martinez, Alasdair I. Mckay, Nicholas H. Rees, Bengt E. Tegner, Tobias Krämer, Heather Fish, Mark R. Warren, Simon J. Coles, Stuart A. Macgregor, Andrew S. Weller, "A series of crystallographically characterized linear and branched σ-alkane complexes of rhodium: From propane to 3-methylpentane", Journal Of The American Chemical Society, 38 (2021), DOI: 10.1021/jacs.1c00738
- Juan Angel Sans, Francisco Javier Manjon, André Luis De Jesus Pereira, Javier Ruiz-Fuertes, Catalin Popescu, Alfonso Muñoz, Plácida Rodríguez-Hernández, Julio Pellicer-Porres, Vanesa Paula Cuenca-Gotor, Julia Contreras-Garcia, Jordi Ibañez, Virginia Monteseguro, "Unveiling the role of the lone electron pair in sesquioxides at high pressure: compressibility of β-Sb2O3", Dalton Transactions, 854 (2021), DOI: 10.1039/D1DT00268F
- Iurii Galadzhun, Rafal Kulmaczewski, Namrah Shahid, Oscar Cespedes, Mark J. Howard, Malcolm A. Halcrow, "The flexibility of long chain substituents influences spin-crossover in isomorphous lipid bilayer crystals", Chemical Communications, 8 (2021), DOI: 10.1039/D1CC01073E
- Amy V. Hall, Osama M. Musa, David K. Hood, David C. Apperley, Dmitry Yufit, Jonathan W. Steed, "Alkali metal salts of 10,12-pentacosadiynoic acid and their dosimetry applications", Crystal Growth & Design, 21, 2416-2422 (2021), DOI: 10.1021/acs.cgd.1c00031
- Richard C. Knighton, Paul D. Beer, "Sodium cation-templated synthesis of an ion-pair binding heteroditopic [2]catenane", Organic Chemistry Frontiers, 10 (2021), DOI: 10.1039/D1QO00247C
- Deepak Asthana, Selena J. Lockyer, Selina Nawaz, Robert J. Woolfson, Grigore A. Timco, Christopher A. Muryn, Iñigo J. Vitorica-Yrezabal, David Collison, Neil A. Burton, Richard E. P. Winpenny, "Gold(i) bridged dimeric and trimeric heterometallic {Cr7Ni}-based qubit systems and their characterization", Dalton Transactions, 42 (2021), DOI: 10.1039/D1DT00150G
- John P. Carpenter, Charlie T. Mcternan, Jake L. Greenfield, Roy Lavendomme, Tanya K. Ronson, Jonathan R. Nitschke, "Controlling the shape and chirality of an eight-crossing molecular knot", Chem, 109 (2021), DOI: 10.1016/j.chempr.2021.03.005
- Orlando Santoro, Mark R. J. Elsegood, Simon J. Teat, Takehiko Yamato, Carl Redshaw, "Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters", Rsc Advances, 11, 11304 - 11317 (2021), DOI: 10.1039/D1RA00175B
- Estefanía Tiburcio, Rossella Greco, Marta Mon, Jordi Ballesteros-Soberanas, Jesus Ferrando-Soria, Juan-Carlos Hernandez-Garrido, Judit Oliver-Meseguer, Carlo Marini, Mercedes Boronat, Donatella Armentano, Antonio Leyva-Perez, Emilio Pardo, Miguel López-Haro, "Soluble/MOF-supported palladium single atoms catalyze the ligand-, additive-, and solvent-free aerobic oxidation of benzyl alcohols to benzoic acids", Journal Of The American Chemical Society (2021), DOI: 10.1021/jacs.0c12367
- Helen M. O’connor, Sergio Sanz, Aaron J. Scott, Mateusz B. Pitak, Wim T. Klooster, Simon J. Coles, Nicholas F. Chilton, Eric J. L. Mcinnes, Paul J. Lusby, Høgni Weihe, Stergios Piligkos, Euan K. Brechin, "[CrIII8NiII6]n+ heterometallic coordination cubes", Molecules, 26 (2021), DOI: 10.3390/molecules26030757
- Joshua Humphreys, Flavia Pop, Paul A. Hume, Alanna S. Murphy, William Lewis, E. Stephen Davies, Stephen P. Argent, David B. Amabilino, "Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives", Crystengcomm, 6 (2021), DOI: 10.1039/D1CE00039J
- William J. F. Trenholme, Daniil I. Kolokolov, Michelle Bound, Stephen P. Argent, Jamie A. Gould, Jiangnan Li, Sarah A. Barnett, Alexander J. Blake, Alexander G. Stepanov, Elena Besley, Timothy L. Easun, Sihai Yang, Martin Schroeder, "Selective gas uptake and rotational dynamics in a (3,24)-connected metal–organic framework material", Journal Of The American Chemical Society, 71 (2021), DOI: 10.1021/jacs.0c11202
- Sérgio M. F. Vilela, Jorge A. R. Navarro, Paula Barbosa, Ricardo F. Mendes, Germán Pérez-Sánchez, Harriott Nowell, Duarte Ananias, Filipe Figueiredo, José R. B. Gomes, João P. C. Tomé, Filipe A. Almeida Paz, "Multifunctionality in an ion-exchanged porous metal–organic framework", Journal Of The American Chemical Society (2021), DOI: 10.1021/jacs.0c10421
- David P. August, Javier Jaramillo-Garcia, David Leigh, Alberto Valero, Iñigo J. Vitorica-Yrezabal, "A chiral cyclometalated iridium Star of David [2]catenane", Journal Of The American Chemical Society (2021), DOI: 10.1021/jacs.0c12038
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