A National Research Facility for EPR Spectroscopy, 2022-2027
Lead Research Organisation:
University of Manchester
Department Name: Chemistry
Abstract
Electrons are fundamental to the composition of all materials, determining the structure of molecular bonds and the stability and properties of compounds. The study of the electronic distribution in molecules therefore provides a direct window into understanding molecular structure, function and bonding.
Electrons possess a fundamental property called "spin", which, pictured classically causes the electron to behave as a bar-magnet when placed in a magnetic field. In many materials all electrons are present in pairs, with the spin on the two electrons being equal and opposite. However, in many important materials there are unpaired electrons: such materials are called paramagnets. Paramagnets are ubiquitous across physical, biological and materials sciences, for example in free-radicals, metal ions, active sites in biological systems, or defects in solids, and these unpaired electrons are critical in dictating the electronic, magnetic and (bio)chemical behaviour of such materials. Unpaired electrons can be intrinsic to the material or extrinsic, induced by, for example, chemical doping or labelling, or by electrochemical or optical excitation.
The most powerful method to study paramagnetic materials is Electron Paramagnetic Resonance (EPR) spectroscopy, also known as Electron Spin Resonance (ESR), part of the magnetic resonance range of techniques that also includes Magnetic Resonance Imaging (MRI) and Nuclear Magnetic Resonance (NMR). EPR directly probes the environment of the unpaired electrons, yielding information on the chemical environment in which the electron is present. State-of-the-art EPR requires substantial instrumentation, including continuous wave and pulsed techniques (differing in how microwaves are applied, and how the signal is detected), and variable magnetic field and temperature regimes, giving access to different information content on the paramagnet.
A National Research Facility (NRF) for EPR gives a cost-effective method for wide access to infrastructure, expertise and training to the UK academic community. The NRF will support researchers in their projects from first enquiry, where assistance can be provided to design, plan and cost experiments into grant applications, through to training via hands-on experience and training courses, support to perform experiments, and advice and expertise to aid data analysis, modelling and interpretation.
Electrons possess a fundamental property called "spin", which, pictured classically causes the electron to behave as a bar-magnet when placed in a magnetic field. In many materials all electrons are present in pairs, with the spin on the two electrons being equal and opposite. However, in many important materials there are unpaired electrons: such materials are called paramagnets. Paramagnets are ubiquitous across physical, biological and materials sciences, for example in free-radicals, metal ions, active sites in biological systems, or defects in solids, and these unpaired electrons are critical in dictating the electronic, magnetic and (bio)chemical behaviour of such materials. Unpaired electrons can be intrinsic to the material or extrinsic, induced by, for example, chemical doping or labelling, or by electrochemical or optical excitation.
The most powerful method to study paramagnetic materials is Electron Paramagnetic Resonance (EPR) spectroscopy, also known as Electron Spin Resonance (ESR), part of the magnetic resonance range of techniques that also includes Magnetic Resonance Imaging (MRI) and Nuclear Magnetic Resonance (NMR). EPR directly probes the environment of the unpaired electrons, yielding information on the chemical environment in which the electron is present. State-of-the-art EPR requires substantial instrumentation, including continuous wave and pulsed techniques (differing in how microwaves are applied, and how the signal is detected), and variable magnetic field and temperature regimes, giving access to different information content on the paramagnet.
A National Research Facility (NRF) for EPR gives a cost-effective method for wide access to infrastructure, expertise and training to the UK academic community. The NRF will support researchers in their projects from first enquiry, where assistance can be provided to design, plan and cost experiments into grant applications, through to training via hands-on experience and training courses, support to perform experiments, and advice and expertise to aid data analysis, modelling and interpretation.
Organisations
Publications
Alotaibi R
(2022)
Templating metallocycles with a macrocycle: synthesis, structures and magnetic studies of {Cr11M2} complexes.
in Dalton transactions (Cambridge, England : 2003)
An B
(2022)
Direct photo-oxidation of methane to methanol over a mono-iron hydroxyl site.
in Nature materials
Asthana D
(2022)
Decorating polymer beads with 1014 inorganic-organic [2]rotaxanes as shown by spin counting.
in Communications chemistry
Badía-Domínguez I
(2024)
Tuneable stimuli-responsive behaviour, spectroscopic signatures and redox properties of indolo[3,2- b ]carbazole-based diradicals
in Physical Chemistry Chemical Physics
Baldwin J
(2024)
Isolation and Electronic Structures of Lanthanide(II) Bis(trimethylsilyl)phosphide Complexes
in Inorganic Chemistry
Baldwin J
(2024)
Synthesis and Characterization of Solvated Lanthanide(II) Bis(triisopropylsilyl)phosphide Complexes
in Inorganic Chemistry
Bell DJ
(2023)
Hexanuclear Ln6 L6 Complex Formation by Using an Unsymmetric Ligand.
in Chemistry (Weinheim an der Bergstrasse, Germany)
Bennett T
(2024)
Two- and Three-Spin Hybrid Inorganic-Organic [2]Rotaxanes Containing Metallated Salen Groups
in Chemistry - An Asian Journal
| Description | We choose 3 papers from 2024 to highlight different aspects of the NRF operation. (i) L.E. Nodaraki, A-M. Ariciu, D.N. Huh, J. Liu, D.O.T.A. Martins, F. Ortu, R.E.P. Winpenny, N.F. Chilton, E.J.L. McInnes, D.P. Mills, W.J. Evans and F. Tuna, "Ligand effects on the spin relaxation dynamics and coherent manipulations of organometallic La(II) potential qudits," J. Amer. Chem. Soc. 2024, 146, 15000-15009. Pulsed hyperfine and electron spin relaxation methods were used to study a family of La complexes in an "impossible" oxidation state. The work highlights the application of a wide range of EPR techniques and is part of a collaboration with a world-leading organometallic chemist, Prof W.J. Evans (University of California Irvine, USA). (ii) B. Wang, J.R. Fitzpatrick, A. Brookfield, A.J. Fielding, E. Reynolds, J. Entwistle, J. Tong, B.F. Spencer, S. Baldock, K. Hunter, C.M. Kavanagh, N. Tapia-Ruiz, "Electron paramagnetic resonance as a tool to determine the sodium charge storage mechanism of hard carbon", Nat. Commun. 2024, 15, 3013. Hard carbons are promising anode materials for rechargeable sodium ion batteries. In this work the specificity of cw EPR gives unique insight into the poorly understood mechanism. This is a new collaboration with Dr N. Tapia-Ruiz (then of Lancaster University, now Imperial College London) in a technologically important area, and the work also involved the Faraday Institution, and the STFC Rutherford Appleton Lab. (iii) T.S. Bennett, S.J. Lockyer, D. Asthana, G.F.S. Whitehead, I.J. Vitorica-Yrezebal, G.A. Timco, R.E.P. Winpenny and E.J.L. McInnes, "Two- and three-spin hybrid inorganic-organic [2]rotaxanes containing metallated salen groups," Chem. Asian J. 2024, 19, e2024000641. Pulsed dipolar EPR methods are exploited to selectively measure weak molecule···molecule interactions in complex multi-component supramolecular structures. The work, in collaboration with Prof Winpenny (UoM), was published as part of a special issue in honour of the 90th birthday of the great materials scientist Prof. C.N.R. Rao FRS. |
| Exploitation Route | highlights the application of a wide range of EPR techniques; hard carbons are promising anode materials for rechargeable sodium ion batteries; selectively measure weak molecule···molecule interactions in complex multi-component supramolecular structures. |
| Sectors | Chemicals Energy |
| Description | Public engagement: We delivered outreach events at the UoM Bicentenary Science Festival (June 2024) celebrating 200 years of education and innovation (>1000 participants; Greater Manchester schools and public), and the at the 2024 RSC Summer Science Exhibition in London (July 2024; >1700 attendees). Dr Bowen (AMB) gave a general magnetic resonance talk to ca. 20 chemistry teachers, part of PTI Chemistry Teacher Subject Day (Nov. 2024), completed a Royal Society funded Science Policy placement in the UKGov Department for Science, Innovation and Technology (Mar. 2023-Mar. 2024), and contributed to a Science Policy course (Mar. 2024) run by the Royal Society. AMB has been selected to be part of the working group for the policy chapter of the Royal Society Bodmer report review looking at public engagement with science. Societal & economic impacts: We successfully bid to the EPSRC "Living labs to improve the environmental sustainability of research infrastructure" call. In this we have engaged with UoM Sustainable Futures network: the proposal is to develop a full Life-Cycle Analysis (LCA) of NRF activities and disseminate results to other large multi-user labs and facilities. Bronze LEAF has been awarded to the NRF lab. AMB is part of a bilateral Science Policy project between the Academy of Medical Sciences and the US National Academy of Medicine looking at sustainability in biomedical research, due to report in 2025 (Exploring climate and health with next generation research leaders | The Academy of Medical Sciences). |
| Impact Types | Societal Economic Policy & public services |
| Title | CCDC 2101166: Experimental Crystal Structure Determination |
| Description | Related Article: Lucinda R. B. Wilson, Marco Coletta, Mukesh K. Singh, Simon J. Teat, Adam Brookfield, Muralidharan Shanmugam, Eric J. L. McInnes, Stergios Piligkos, Scott J. Dalgarno, Euan K. Brechin|2023|Dalton Trans.|52|8956|doi:10.1039/D3DT01448G |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc28jfkt&sid=DataCite |
| Title | CCDC 2204125: Experimental Crystal Structure Determination |
| Description | Related Article: Yujie Ma, Xue Han?, Shaojun Xu, Zhe Li, Wanpeng Lu, Bing An, Daniel Lee, Sarayute Chansai, Alena M. Sheveleva, Zi Wang, Yinlin Chen, Jiangnan Li, Weiyao Li, Rongsheng Cai, Ivan da Silva, Yongqiang Cheng, Luke L. Daemen, Floriana Tuna, Eric J. L. McInnes, Lewis Hughes, Pascal Manuel, Anibal J. Ramirez-Cuesta, Sarah J. Haigh, Christopher Hardacre, Martin Schro¨der, Sihai Yang?|2023|J.Am.Chem.Soc.|||doi:10.1021/jacs.3c03935 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2czktr&sid=DataCite |
| Title | CCDC 2204126: Experimental Crystal Structure Determination |
| Description | Related Article: Yujie Ma, Xue Han?, Shaojun Xu, Zhe Li, Wanpeng Lu, Bing An, Daniel Lee, Sarayute Chansai, Alena M. Sheveleva, Zi Wang, Yinlin Chen, Jiangnan Li, Weiyao Li, Rongsheng Cai, Ivan da Silva, Yongqiang Cheng, Luke L. Daemen, Floriana Tuna, Eric J. L. McInnes, Lewis Hughes, Pascal Manuel, Anibal J. Ramirez-Cuesta, Sarah J. Haigh, Christopher Hardacre, Martin Schro¨der, Sihai Yang?|2023|J.Am.Chem.Soc.|||doi:10.1021/jacs.3c03935 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2czkvs&sid=DataCite |
| Title | CCDC 2204127: Experimental Crystal Structure Determination |
| Description | Related Article: Yujie Ma, Xue Han?, Shaojun Xu, Zhe Li, Wanpeng Lu, Bing An, Daniel Lee, Sarayute Chansai, Alena M. Sheveleva, Zi Wang, Yinlin Chen, Jiangnan Li, Weiyao Li, Rongsheng Cai, Ivan da Silva, Yongqiang Cheng, Luke L. Daemen, Floriana Tuna, Eric J. L. McInnes, Lewis Hughes, Pascal Manuel, Anibal J. Ramirez-Cuesta, Sarah J. Haigh, Christopher Hardacre, Martin Schro¨der, Sihai Yang?|2023|J.Am.Chem.Soc.|||doi:10.1021/jacs.3c03935 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2czkwt&sid=DataCite |
| Title | CCDC 2204128: Experimental Crystal Structure Determination |
| Description | Related Article: Yujie Ma, Xue Han?, Shaojun Xu, Zhe Li, Wanpeng Lu, Bing An, Daniel Lee, Sarayute Chansai, Alena M. Sheveleva, Zi Wang, Yinlin Chen, Jiangnan Li, Weiyao Li, Rongsheng Cai, Ivan da Silva, Yongqiang Cheng, Luke L. Daemen, Floriana Tuna, Eric J. L. McInnes, Lewis Hughes, Pascal Manuel, Anibal J. Ramirez-Cuesta, Sarah J. Haigh, Christopher Hardacre, Martin Schro¨der, Sihai Yang?|2023|J.Am.Chem.Soc.|||doi:10.1021/jacs.3c03935 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2czkxv&sid=DataCite |
| Title | CCDC 2205374: Experimental Crystal Structure Determination |
| Description | Related Article: Xiangdi Zeng, Zi Wang, Meng He, Wanpeng Lu, Wenyuan Huang, Bing An, Jiangnan Li, Mufan Li, Ben F. Spencer, Sarah J. Day, Floriana Tuna, Eric J. L. McInnes, Martin Schröder, Sihai Yang|2025|Inorg.Chem.Front.|12|138|doi:10.1039/D4QI02225D |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d0w3f&sid=DataCite |
| Title | CCDC 2209046: Experimental Crystal Structure Determination |
| Description | Related Article: Zi Wang, Alena M. Sheveleva, Daniel Lee, Yinlin Chen, Dinu Iuga, W. Trent Franks, Yujie Ma, Jiangnan Li, Lei Li, Yongqiang Cheng, Luke L. Daemen, Sarah J. Days, Anibal J. Ramirez-Cuesta, Bing Han, Alexander S. Eggeman, Eric J. L. McInnes, Floriana Tuna, Sihai Yang, Martin Schröder|2023|Angew.Chem.,Int.Ed.|62|e202302602|doi:10.1002/anie.202302602 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d4pkt&sid=DataCite |
| Title | CCDC 2218612: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgn4p&sid=DataCite |
| Title | CCDC 2218613: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgn5q&sid=DataCite |
| Title | CCDC 2218614: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgn6r&sid=DataCite |
| Title | CCDC 2218615: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgn7s&sid=DataCite |
| Title | CCDC 2218616: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgn8t&sid=DataCite |
| Title | CCDC 2218617: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgn9v&sid=DataCite |
| Title | CCDC 2218619: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgncx&sid=DataCite |
| Title | CCDC 2218620: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgndy&sid=DataCite |
| Title | CCDC 2218621: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgnfz&sid=DataCite |
| Title | CCDC 2218622: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgng0&sid=DataCite |
| Title | CCDC 2218623: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgnh1&sid=DataCite |
| Title | CCDC 2218624: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgnj2&sid=DataCite |
| Title | CCDC 2218626: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgnl4&sid=DataCite |
| Title | CCDC 2218628: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgnn6&sid=DataCite |
| Title | CCDC 2218629: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgnp7&sid=DataCite |
| Title | CCDC 2218631: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgnr9&sid=DataCite |
| Title | CCDC 2218769: Experimental Crystal Structure Determination |
| Description | Related Article: Fernando Cortezon-Tamarit, Kexin Song, Navaratnarajah Kuganathan, Rory L. Arrowsmith, Sara Raquel Mota Merelo de Aguiar, Philip A. Waghorn, Adam Brookfield, Muralidharan Shanmugam, David Collison, Haobo Ge, Gabriele Kociok-Köhn, Charareh Pourzand, Jonathan Robin Dilworth, Sofia Ioana Pascu|2023|ACS Omega|8|16047|doi:10.1021/acsomega.2c08157 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dgt6x&sid=DataCite |
| Title | CCDC 2261918: Experimental Crystal Structure Determination |
| Description | Related Article: Richard Winpenny, Tom Bennett, Selina Nawaz, Deepak Asthana, Selena Lockyer, George Whitehead, Inigo Vitorica-Yrezabal, Grigore Timco, Neil Burton, Eric McInnes|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-h8jrr |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2fxq36&sid=DataCite |
| Title | CCDC 2261919: Experimental Crystal Structure Determination |
| Description | Related Article: Richard Winpenny, Tom Bennett, Selina Nawaz, Deepak Asthana, Selena Lockyer, George Whitehead, Inigo Vitorica-Yrezabal, Grigore Timco, Neil Burton, Eric McInnes|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-h8jrr |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2fxq47&sid=DataCite |
| Title | CCDC 2261920: Experimental Crystal Structure Determination |
| Description | Related Article: Richard Winpenny, Tom Bennett, Selina Nawaz, Deepak Asthana, Selena Lockyer, George Whitehead, Inigo Vitorica-Yrezabal, Grigore Timco, Neil Burton, Eric McInnes|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-h8jrr |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2fxq58&sid=DataCite |
| Title | CCDC 2261921: Experimental Crystal Structure Determination |
| Description | Related Article: Richard Winpenny, Tom Bennett, Selina Nawaz, Deepak Asthana, Selena Lockyer, George Whitehead, Inigo Vitorica-Yrezabal, Grigore Timco, Neil Burton, Eric McInnes|2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-h8jrr |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2fxq69&sid=DataCite |
| Title | CCDC 2266235: Experimental Crystal Structure Determination |
| Description | Related Article: Ross E. MacKenzie, Tomáš Hajdu, John A. Seed, George F. S. Whitehead, Ralph W. Adams, Nicholas F. Chilton, David Collison, Eric J. L. McInnes, Conrad A. P. Goodwin|2024|Chemical Science|15|15160|doi:10.1039/D4SC03005B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g26c4&sid=DataCite |
| Title | CCDC 2266236: Experimental Crystal Structure Determination |
| Description | Related Article: Ross E. MacKenzie, Tomáš Hajdu, John A. Seed, George F. S. Whitehead, Ralph W. Adams, Nicholas F. Chilton, David Collison, Eric J. L. McInnes, Conrad A. P. Goodwin|2024|Chemical Science|15|15160|doi:10.1039/D4SC03005B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g26d5&sid=DataCite |
| Title | CCDC 2266243: Experimental Crystal Structure Determination |
| Description | Related Article: Ross E. MacKenzie, Tomáš Hajdu, John A. Seed, George F. S. Whitehead, Ralph W. Adams, Nicholas F. Chilton, David Collison, Eric J. L. McInnes, Conrad A. P. Goodwin|2024|Chemical Science|15|15160|doi:10.1039/D4SC03005B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g26md&sid=DataCite |
| Title | CCDC 2266244: Experimental Crystal Structure Determination |
| Description | Related Article: Ross E. MacKenzie, Tomáš Hajdu, John A. Seed, George F. S. Whitehead, Ralph W. Adams, Nicholas F. Chilton, David Collison, Eric J. L. McInnes, Conrad A. P. Goodwin|2024|Chemical Science|15|15160|doi:10.1039/D4SC03005B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g26nf&sid=DataCite |
| Title | CCDC 2266255: Experimental Crystal Structure Determination |
| Description | Related Article: Ross E. MacKenzie, Tomáš Hajdu, John A. Seed, George F. S. Whitehead, Ralph W. Adams, Nicholas F. Chilton, David Collison, Eric J. L. McInnes, Conrad A. P. Goodwin|2024|Chemical Science|15|15160|doi:10.1039/D4SC03005B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g270t&sid=DataCite |
| Title | CCDC 2266256: Experimental Crystal Structure Determination |
| Description | Related Article: Ross E. MacKenzie, Tomáš Hajdu, John A. Seed, George F. S. Whitehead, Ralph W. Adams, Nicholas F. Chilton, David Collison, Eric J. L. McInnes, Conrad A. P. Goodwin|2024|Chemical Science|15|15160|doi:10.1039/D4SC03005B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g271v&sid=DataCite |
| Title | CCDC 2266257: Experimental Crystal Structure Determination |
| Description | Related Article: Ross E. MacKenzie, Tomáš Hajdu, John A. Seed, George F. S. Whitehead, Ralph W. Adams, Nicholas F. Chilton, David Collison, Eric J. L. McInnes, Conrad A. P. Goodwin|2024|Chemical Science|15|15160|doi:10.1039/D4SC03005B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g272w&sid=DataCite |
| Title | CCDC 2266258: Experimental Crystal Structure Determination |
| Description | Related Article: Ross E. MacKenzie, Tomáš Hajdu, John A. Seed, George F. S. Whitehead, Ralph W. Adams, Nicholas F. Chilton, David Collison, Eric J. L. McInnes, Conrad A. P. Goodwin|2024|Chemical Science|15|15160|doi:10.1039/D4SC03005B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g273x&sid=DataCite |
| Title | CCDC 2266261: Experimental Crystal Structure Determination |
| Description | Related Article: Ross E. MacKenzie, Tomáš Hajdu, John A. Seed, George F. S. Whitehead, Ralph W. Adams, Nicholas F. Chilton, David Collison, Eric J. L. McInnes, Conrad A. P. Goodwin|2024|Chemical Science|15|15160|doi:10.1039/D4SC03005B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g2760&sid=DataCite |
| Title | CCDC 2266262: Experimental Crystal Structure Determination |
| Description | Related Article: Ross E. MacKenzie, Tomáš Hajdu, John A. Seed, George F. S. Whitehead, Ralph W. Adams, Nicholas F. Chilton, David Collison, Eric J. L. McInnes, Conrad A. P. Goodwin|2024|Chemical Science|15|15160|doi:10.1039/D4SC03005B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g2771&sid=DataCite |
| Title | CCDC 2266263: Experimental Crystal Structure Determination |
| Description | Related Article: Ross E. MacKenzie, Tomáš Hajdu, John A. Seed, George F. S. Whitehead, Ralph W. Adams, Nicholas F. Chilton, David Collison, Eric J. L. McInnes, Conrad A. P. Goodwin|2024|Chemical Science|15|15160|doi:10.1039/D4SC03005B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g2782&sid=DataCite |
| Title | CCDC 2266264: Experimental Crystal Structure Determination |
| Description | Related Article: Ross E. MacKenzie, Tomáš Hajdu, John A. Seed, George F. S. Whitehead, Ralph W. Adams, Nicholas F. Chilton, David Collison, Eric J. L. McInnes, Conrad A. P. Goodwin|2024|Chemical Science|15|15160|doi:10.1039/D4SC03005B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g2793&sid=DataCite |
| Title | CCDC 2271676: Experimental Crystal Structure Determination |
| Description | Related Article: Lydia E. Nodaraki, Jingjing Liu, Ana-Maria Ariciu, Fabrizio Ortu, Meagan S. Oakley, Letitia Birnoschi, Gemma K. Gransbury, Philip J. Cobb, Jack Emerson-King, Nicholas F. Chilton, David P. Mills, Eric J. L. McInnes, Floriana Tuna|2024|Chemical Science|15|3003|doi:10.1039/D3SC06175B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g7vwg&sid=DataCite |
| Title | CCDC 2271677: Experimental Crystal Structure Determination |
| Description | Related Article: Lydia E. Nodaraki, Jingjing Liu, Ana-Maria Ariciu, Fabrizio Ortu, Meagan S. Oakley, Letitia Birnoschi, Gemma K. Gransbury, Philip J. Cobb, Jack Emerson-King, Nicholas F. Chilton, David P. Mills, Eric J. L. McInnes, Floriana Tuna|2024|Chemical Science|15|3003|doi:10.1039/D3SC06175B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g7vxh&sid=DataCite |
| Title | CCDC 2271839: Experimental Crystal Structure Determination |
| Description | Related Article: Jingjing Liu, Lydia E. Nodaraki, Daniel O. T. A. Martins, Marcus J. Giansiracusa, Philip J. Cobb, Jack Emerson-King, Fabrizio Ortu, George F. S. Whitehead, Gemma K. Gransbury, Eric J. L. Mclnnes, Floriana Tuna, David P. Mills|2023|Eur.J.Inorg.Chem.|26||doi:10.1002/ejic.202300552 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g814y&sid=DataCite |
| Title | CCDC 2282041: Experimental Crystal Structure Determination |
| Description | Related Article: Ross E. MacKenzie, Tomáš Hajdu, John A. Seed, George F. S. Whitehead, Ralph W. Adams, Nicholas F. Chilton, David Collison, Eric J. L. McInnes, Conrad A. P. Goodwin|2024|Chemical Science|15|15160|doi:10.1039/D4SC03005B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2gln7z&sid=DataCite |
| Title | CCDC 2283570: Experimental Crystal Structure Determination |
| Description | Related Article: Selena J. Lockyer, Deepak Asthana, George F. S. Whitehead, Inigo J. Vitorica-Yrezabal, Grigore. A. Timco, Eric J. L. McInnes, Richard E. P. Winpenny|2023|Chem.-Eur.J.|||doi:10.1002/chem.202302360 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2gn7ky&sid=DataCite |
| Title | CCDC 2283571: Experimental Crystal Structure Determination |
| Description | Related Article: Selena J. Lockyer, Deepak Asthana, George F. S. Whitehead, Inigo J. Vitorica-Yrezabal, Grigore. A. Timco, Eric J. L. McInnes, Richard E. P. Winpenny|2023|Chem.-Eur.J.|||doi:10.1002/chem.202302360 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2gn7lz&sid=DataCite |
| Title | CCDC 2295306: Experimental Crystal Structure Determination |
| Description | Related Article: Ross E. MacKenzie, Tomáš Hajdu, John A. Seed, George F. S. Whitehead, Ralph W. Adams, Nicholas F. Chilton, David Collison, Eric J. L. McInnes, Conrad A. P. Goodwin|2024|Chemical Science|15|15160|doi:10.1039/D4SC03005B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2h1g45&sid=DataCite |
| Title | CCDC 2295307: Experimental Crystal Structure Determination |
| Description | Related Article: Ross E. MacKenzie, Tomáš Hajdu, John A. Seed, George F. S. Whitehead, Ralph W. Adams, Nicholas F. Chilton, David Collison, Eric J. L. McInnes, Conrad A. P. Goodwin|2024|Chemical Science|15|15160|doi:10.1039/D4SC03005B |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2h1g56&sid=DataCite |
| Title | CCDC 2309213: Experimental Crystal Structure Determination |
| Description | Related Article: Xuhang Dan, Jingzhen Du, Shuhan Zhang, John A. Seed, Mauro Perfetti, Floriana Tuna, Ashley J. Wooles, Stephen T. Liddle|2024|Inorg.Chem.|||doi:10.1021/acs.inorgchem.3c04275 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2hhxrp&sid=DataCite |
| Title | CCDC 2309214: Experimental Crystal Structure Determination |
| Description | Related Article: Xuhang Dan, Jingzhen Du, Shuhan Zhang, John A. Seed, Mauro Perfetti, Floriana Tuna, Ashley J. Wooles, Stephen T. Liddle|2024|Inorg.Chem.|||doi:10.1021/acs.inorgchem.3c04275 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2hhxsq&sid=DataCite |
| Title | CCDC 2309215: Experimental Crystal Structure Determination |
| Description | Related Article: Xuhang Dan, Jingzhen Du, Shuhan Zhang, John A. Seed, Mauro Perfetti, Floriana Tuna, Ashley J. Wooles, Stephen T. Liddle|2024|Inorg.Chem.|||doi:10.1021/acs.inorgchem.3c04275 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2hhxtr&sid=DataCite |
| Title | CCDC 2309216: Experimental Crystal Structure Determination |
| Description | Related Article: Xuhang Dan, Jingzhen Du, Shuhan Zhang, John A. Seed, Mauro Perfetti, Floriana Tuna, Ashley J. Wooles, Stephen T. Liddle|2024|Inorg.Chem.|||doi:10.1021/acs.inorgchem.3c04275 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2hhxvs&sid=DataCite |
| Title | CCDC 2340000: Experimental Crystal Structure Determination |
| Description | Related Article: Fabio Santanni, Edmund Little, Selena J. Lockyer, George F. S. Whitehead, Eric J. L. McInnes, Grigore A. Timco, Alice M. Bowen, Roberta Sessoli, Richard E. P. Winpenny|2024|Inorg.Chem.|||doi:10.1021/acs.inorgchem.4c01248 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2jjywx&sid=DataCite |
| Title | CCDC 2340001: Experimental Crystal Structure Determination |
| Description | Related Article: Fabio Santanni, Edmund Little, Selena J. Lockyer, George F. S. Whitehead, Eric J. L. McInnes, Grigore A. Timco, Alice M. Bowen, Roberta Sessoli, Richard E. P. Winpenny|2024|Inorg.Chem.|||doi:10.1021/acs.inorgchem.4c01248 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2jjyxy&sid=DataCite |
| Title | CCDC 2367045: Experimental Crystal Structure Determination |
| Description | Related Article: Selena J. Lockyer, George F. S. Whitehead, Grigore A. Timco, Eric J. L. McInnes, Richard E. P. Winpenny|2024|Chem.Commun.|60|10124|doi:10.1039/D4CC03566F |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2kg39g&sid=DataCite |
| Title | CCDC 2367046: Experimental Crystal Structure Determination |
| Description | Related Article: Selena J. Lockyer, George F. S. Whitehead, Grigore A. Timco, Eric J. L. McInnes, Richard E. P. Winpenny|2024|Chem.Commun.|60|10124|doi:10.1039/D4CC03566F |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2kg3bh&sid=DataCite |
| Title | CCDC 2367047: Experimental Crystal Structure Determination |
| Description | Related Article: Selena J. Lockyer, George F. S. Whitehead, Grigore A. Timco, Eric J. L. McInnes, Richard E. P. Winpenny|2024|Chem.Commun.|60|10124|doi:10.1039/D4CC03566F |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2kg3cj&sid=DataCite |
| Title | CCDC 2373740: Experimental Crystal Structure Determination |
| Description | Related Article: John A. Seed, Peter A. Cleaves, Georgina R. Hatton, David M. King, Floriana Tuna, Ashley J. Wooles, Nicholas F. Chilton, Stephen T. Liddle|2024|Chem.Commun.|60|9990|doi:10.1039/D4CC03846K |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2kp28m&sid=DataCite |
| Title | CCDC 2373741: Experimental Crystal Structure Determination |
| Description | Related Article: John A. Seed, Peter A. Cleaves, Georgina R. Hatton, David M. King, Floriana Tuna, Ashley J. Wooles, Nicholas F. Chilton, Stephen T. Liddle|2024|Chem.Commun.|60|9990|doi:10.1039/D4CC03846K |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2kp29n&sid=DataCite |
| Title | Combined Data - Compound [1(2A)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the five time traces obtained on stitching together the short-tau and long-tau traces for compound [1(2A)3]. The field value of each combined trace, along with the time point at which the two constituent traces were stitched together, are as follows: 3690 G - 634 ns3730 G - 638 ns3770 G - 634 ns3810 G - 638 ns3850 G - 630 ns |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Combined_Data_-_Compound_b_1_b_b_2A_b_sub_3_sub_/... |
| Title | Combined Data - Compound [1(2A)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the five time traces obtained on stitching together the short-tau and long-tau traces for compound [1(2A)3]. The field value of each combined trace, along with the time point at which the two constituent traces were stitched together, are as follows: 3690 G - 634 ns3730 G - 638 ns3770 G - 634 ns3810 G - 638 ns3850 G - 630 ns |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Combined_Data_-_Compound_b_1_b_b_2A_b_sub_3_sub_/... |
| Title | Combined Data - Compound [1(2B)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the five time traces obtained on stitching together the short-tau and long-tau traces for compound [1(2B)3]. The field value of each combined trace, along with the time point at which the two constituent traces were stitched together, are as follows: 3690 G - 534 ns3730 G - 626 ns3770 G - 625 ns3810 G - 496 ns3850 G - 426 ns Furthermore, the 3850 G combined trace was truncated to a length of 868 ns before experimental data was fitted. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Combined_Data_-_Compound_b_1_b_b_2B_b_sub_3_sub_/... |
| Title | Combined Data - Compound [1(2B)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the five time traces obtained on stitching together the short-tau and long-tau traces for compound [1(2B)3]. The field value of each combined trace, along with the time point at which the two constituent traces were stitched together, are as follows: 3690 G - 534 ns3730 G - 626 ns3770 G - 625 ns3810 G - 496 ns3850 G - 426 ns Furthermore, the 3850 G combined trace was truncated to a length of 868 ns before experimental data was fitted. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Combined_Data_-_Compound_b_1_b_b_2B_b_sub_3_sub_/... |
| Title | Combined Data - Compound [1(2E)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript. This dataset contains the four time traces obtained on stitching together the short-tau and long-tau traces for compound [1(2E)3]. The field value of each combined trace, along with the time point at which the two constituent traces were stitched together, are as follows: 3680 G - 634 ns3720 G - 666 ns3760 G - 646 ns3800 G - 658 ns The signal-to-noise ratio of the long-tau 3840 G trace was too poor to stitch together with the short-tau 3840 G trace, hence these two traces were not combined before fitting the experimental data (only the short-tau 3840 G trace was used for this purpose). |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Combined_Data_-_Compound_b_1_b_b_2E_b_sub_3_sub_/... |
| Title | Combined Data - Compound [1(2E)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript. This dataset contains the four time traces obtained on stitching together the short-tau and long-tau traces for compound [1(2E)3]. The field value of each combined trace, along with the time point at which the two constituent traces were stitched together, are as follows: 3680 G - 634 ns3720 G - 666 ns3760 G - 646 ns3800 G - 658 ns The signal-to-noise ratio of the long-tau 3840 G trace was too poor to stitch together with the short-tau 3840 G trace, hence these two traces were not combined before fitting the experimental data (only the short-tau 3840 G trace was used for this purpose). |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Combined_Data_-_Compound_b_1_b_b_2E_b_sub_3_sub_/... |
| Title | Mechanochemical synthesis, characterization and reactivity of a room temperature stable calcium electride |
| Description | This deposition contains all supporting data for a submission to a peer reviewed journal. The work covers the synthesis and characterisation of a new electride material, containing spectroscopic/magnetic measurements (NMR, UV-vis, IR, EPR, SQUID), X-ray diffraction data (single crystal XRD, powder XRD), and computational analysis (DFT, AIRSS). |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.le.ac.uk/articles/dataset/Mechanochemical_synthesis_characterization_and_reactivity... |
| Title | Mechanochemical synthesis, characterization and reactivity of a room temperature stable calcium electride |
| Description | This deposition contains all supporting data for a submission to a peer reviewed journal. The work covers the synthesis and characterisation of a new electride material, containing spectroscopic/magnetic measurements (NMR, UV-vis, IR, EPR, SQUID), X-ray diffraction data (single crystal XRD, powder XRD), and computational analysis (DFT, AIRSS). |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.le.ac.uk/articles/dataset/Mechanochemical_synthesis_characterization_and_reactivity... |
| Title | Primary Data (Longer Tau) - Compound [1(2A)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the five experimental DEER traces (before and after background correction in DeerAnalysis) measured for compound [1(2A)3] with a relatively long tau-2 value in order to maximise the length of the traces. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_Longer_Tau_-_Compound_b_1_b_b_2A_b_s... |
| Title | Primary Data (Longer Tau) - Compound [1(2A)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the five experimental DEER traces (before and after background correction in DeerAnalysis) measured for compound [1(2A)3] with a relatively long tau-2 value in order to maximise the length of the traces. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_Longer_Tau_-_Compound_b_1_b_b_2A_b_s... |
| Title | Primary Data (Longer Tau) - Compound [1(2B)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the five experimental DEER traces (before and after background correction in DeerAnalysis) measured for compound [1(2B)3] with a relatively long tau-2 value in order to maximise the length of the traces. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_Longer_Tau_-_Compound_b_1_b_b_2B_b_s... |
| Title | Primary Data (Longer Tau) - Compound [1(2B)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the five experimental DEER traces (before and after background correction in DeerAnalysis) measured for compound [1(2B)3] with a relatively long tau-2 value in order to maximise the length of the traces. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_Longer_Tau_-_Compound_b_1_b_b_2B_b_s... |
| Title | Primary Data (Longer Tau) - compound [1(2E)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the four experimental DEER traces (before and after background correction in DeerAnalysis) measured for compound [1(2E)3] with a relatively long tau-2 value in order to maximise the length of the traces. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_Longer_Tau_-_compound_b_1_b_b_2E_b_s... |
| Title | Primary Data (Longer Tau) - compound [1(2E)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the four experimental DEER traces (before and after background correction in DeerAnalysis) measured for compound [1(2E)3] with a relatively long tau-2 value in order to maximise the length of the traces. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_Longer_Tau_-_compound_b_1_b_b_2E_b_s... |
| Title | Primary Data (Shorter Tau) - Compound [1(2A)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the five experimental DEER traces (before and after background correction in DeerAnalysis) measured for compound [1(2A)3] with a relatively short tau-2 value in order to improve the signal-to-noise ratio. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_Shorter_Tau_-_Compound_b_1_b_b_2A_b_... |
| Title | Primary Data (Shorter Tau) - Compound [1(2A)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the five experimental DEER traces (before and after background correction in DeerAnalysis) measured for compound [1(2A)3] with a relatively short tau-2 value in order to improve the signal-to-noise ratio. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_Shorter_Tau_-_Compound_b_1_b_b_2A_b_... |
| Title | Primary Data (Shorter Tau) - Compound [1(2B)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the five experimental DEER traces (before and after background correction in DeerAnalysis) measured for compound [1(2B)3] with a relatively short tau-2 value in order to improve the signal-to-noise ratio. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_Shorter_Tau_-_Compound_b_1_b_b_2B_b_... |
| Title | Primary Data (Shorter Tau) - Compound [1(2B)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the five experimental DEER traces (before and after background correction in DeerAnalysis) measured for compound [1(2B)3] with a relatively short tau-2 value in order to improve the signal-to-noise ratio. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_Shorter_Tau_-_Compound_b_1_b_b_2B_b_... |
| Title | Primary Data (Shorter Tau) - Compound [1(2E)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the five experimental DEER traces (before and after background correction in DeerAnalysis) measured for compound [1(2E)3] with a relatively short tau-2 value in order to improve the signal-to-noise ratio. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_Shorter_Tau_-_Compound_b_1_b_b_2E_b_... |
| Title | Primary Data (Shorter Tau) - Compound [1(2E)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the five experimental DEER traces (before and after background correction in DeerAnalysis) measured for compound [1(2E)3] with a relatively short tau-2 value in order to improve the signal-to-noise ratio. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_Shorter_Tau_-_Compound_b_1_b_b_2E_b_... |
| Title | Primary Data - Compound [1(2D)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the five experimental DEER traces (before and after background correction in DeerAnalysis) measured for compound [1(2D)3]. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_-_Compound_b_1_b_b_2D_b_sub_3_sub_/2... |
| Title | Primary Data - Compound [1(2D)3] |
| Description | This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript.This dataset contains the five experimental DEER traces (before and after background correction in DeerAnalysis) measured for compound [1(2D)3]. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Primary_Data_-_Compound_b_1_b_b_2D_b_sub_3_sub_/2... |
| Title | Supplementary information files for Application of a synthetic ferredoxin-inspired [4Fe4S]-peptide maquette as the redox partner for a [FeFe]-hydrogenase |
| Description | Supplementrary files for article Application of a synthetic ferredoxin-inspired [4Fe4S]-peptide maquette as the redox partner for a [FeFe]-hydrogenase 'Bacterial-type' ferredoxins host a cubane [4Fe4S]2+/+ cluster that enables these proteins to mediate electron transfer and facilitate a broad range of biological processes. Peptide maquettes based on the conserved cluster-forming motif have previously been reported and used to model the ferredoxins. Herein we explore the integration of a [4Fe4S]-peptide maquette into a H2-powered electron transport chain. While routinely formed under anaerobic conditions, we illustrate by electron paramagnetic resonance (EPR) analysis that these maquettes can be reconstituted under aerobic conditions by using photoactivated NADH to reduce the cluster at 240 K. Attempts to tune the redox properties of the iron-sulfur cluster by introducing an Fe-coordinating selenocysteine residue were also explored. To demonstrate the integration of these artificial metalloproteins into a semi-synthetic electron transport chain, we utilize a ferredoxin-inspired [4Fe4S]-peptide maquette as the redox partner in the hydrogenase-mediated oxidation of H2. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | https://repository.lboro.ac.uk/articles/dataset/Supplementary_information_files_for_Application_of_a... |
| Title | Supplementary information files for Application of a synthetic ferredoxin-inspired [4Fe4S]-peptide maquette as the redox partner for a [FeFe]-hydrogenase |
| Description | Supplementrary files for article Application of a synthetic ferredoxin-inspired [4Fe4S]-peptide maquette as the redox partner for a [FeFe]-hydrogenase 'Bacterial-type' ferredoxins host a cubane [4Fe4S]2+/+ cluster that enables these proteins to mediate electron transfer and facilitate a broad range of biological processes. Peptide maquettes based on the conserved cluster-forming motif have previously been reported and used to model the ferredoxins. Herein we explore the integration of a [4Fe4S]-peptide maquette into a H2-powered electron transport chain. While routinely formed under anaerobic conditions, we illustrate by electron paramagnetic resonance (EPR) analysis that these maquettes can be reconstituted under aerobic conditions by using photoactivated NADH to reduce the cluster at 240 K. Attempts to tune the redox properties of the iron-sulfur cluster by introducing an Fe-coordinating selenocysteine residue were also explored. To demonstrate the integration of these artificial metalloproteins into a semi-synthetic electron transport chain, we utilize a ferredoxin-inspired [4Fe4S]-peptide maquette as the redox partner in the hydrogenase-mediated oxidation of H2. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | https://repository.lboro.ac.uk/articles/dataset/Supplementary_information_files_for_Application_of_a... |
| Title | Supplementary information files for Application of a synthetic ferredoxin-inspired [4Fe4S]-peptide maquette as the redox partner for a [FeFe]-hydrogenase |
| Description | Supplementrary files for article Application of a synthetic ferredoxin-inspired [4Fe4S]-peptide maquette as the redox partner for a [FeFe]-hydrogenase 'Bacterial-type' ferredoxins host a cubane [4Fe4S]2+/+ cluster that enables these proteins to mediate electron transfer and facilitate a broad range of biological processes. Peptide maquettes based on the conserved cluster-forming motif have previously been reported and used to model the ferredoxins. Herein we explore the integration of a [4Fe4S]-peptide maquette into a H2-powered electron transport chain. While routinely formed under anaerobic conditions, we illustrate by electron paramagnetic resonance (EPR) analysis that these maquettes can be reconstituted under aerobic conditions by using photoactivated NADH to reduce the cluster at 240 K. Attempts to tune the redox properties of the iron-sulfur cluster by introducing an Fe-coordinating selenocysteine residue were also explored. To demonstrate the integration of these artificial metalloproteins into a semi-synthetic electron transport chain, we utilize a ferredoxin-inspired [4Fe4S]-peptide maquette as the redox partner in the hydrogenase-mediated oxidation of H2. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | https://repository.lboro.ac.uk/articles/dataset/Supplementary_information_files_for_Application_of_a... |
| Title | Supporting Files for "Frequency swept pulses for the enhanced resolution of ENDOR spectra detecting on higher spin transitions of Gd(III)" |
| Description | Metadata for the manuscript "Frequency swept pulses for the enhanced resolution of ENDOR spectra detecting on higher spin transitions of Gd(III)". Experimental and simulation methods are described in the '2.2 Spectroscopic Measurements' section of the manuscript. The downloadable zip file contains all raw data (.DSC and .DTA files) and MATLAB scripts and data for this work. Please see README.txt for further details. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Supporting_Files_for_Frequency_swept_pulses_for_t... |
| Title | Supporting Files for "Frequency swept pulses for the enhanced resolution of ENDOR spectra detecting on higher spin transitions of Gd(III)" |
| Description | Metadata for the manuscript "Frequency swept pulses for the enhanced resolution of ENDOR spectra detecting on higher spin transitions of Gd(III)". Experimental and simulation methods are described in the '2.2 Spectroscopic Measurements' section of the manuscript. The downloadable zip file contains all raw data (.DSC and .DTA files) and MATLAB scripts and data for this work. Please see README.txt for further details. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/Supporting_Files_for_Frequency_swept_pulses_for_t... |
| Title | d-Bonding Modulates the Electronic Structure of Formally Divalent nd1 Rare Earth Arene Complexes |
| Description | Accompanies manuscript: Chem. Sci. 2024, Accepted Article. DOI: 10.1039/D4SC03005B. Raw data for the XRD, NMR, UV-Vis-NIR, and ATR-IR characterization. Raw input and output files from computational work. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2024 |
| Provided To Others? | Yes |
| URL | https://figshare.manchester.ac.uk/articles/dataset/_b_-Bonding_versus_Electron_Localization_in_Forma... |
| Description | Training, outreach, skills, and non-scientific impacts |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Other audiences |
| Results and Impact | Training, outreach, skills, and non-scientific impacts We held 2 week-long training workshops (theory and practical) in January and September 2024, aimed at beginners, and each had 10 attendees, including ECRs, technicians, industrialists, with average ratings (by anonymous questionnaire) of 4.9/5. Feedback included: "An extremely good workshop that I learned not only the basics of EPR, but also on how to handle every instrument perfectly", "the seminar team help you get a basic knowledge on EPR and I would strongly recommend it", "Lectures were informative and clear. Lecturers are friendly and approachable. Practical sessions reinstated what we learned in the lectures. As new to EPR, I would recommend it to colleagues", "Perfect amount of content, challenging, but plenty of time for explanations", "Excellent, everyone has been approachable and supportive. The offer of ongoing contact and support is very much appreciated" We gave tutorial/teaching lectures on EPR at Kanagawa University in Japan, and the University of Barcelona National EPR workshop marking the opening of the first EPR Facility in Catalonia (>150 attendees). We have hosted several extended visits from PhD, PDRA and ECRs, including from Universities of Bordeaux, Basque Country, Polytechnic University Hong Kong, Birmingham. The NRF has hosted seminars from Profs Di Valentin (Padova) and Kawai (Kanagawa University, Japan) as part of internationalisation activities. Activities to promote the facility beyond its core user base: We participated in several events related to quantum technologies: EPSRC Materials for Quantum Network (M4QN) events, UoM Quantum Networking Days, and international symposia. FT gave invited lectures at the MRS Fall Meeting Molecular Quantum Systems Symposium (Boston, Dec. 2024), EuChemSoc Molecular Quantum Technologies Symposium (Dublin, July 2024), ICCC Symposium (Colorado, Aug. 2024), the Eddleman Quantum Institute at Caltech Solid State and Molecular Spin Qubits Discussion Meeting (Sept. 2023) and the Quantum Science Gathering at Chateau Balleroy by the University of California Irvine (Sept. 2023). AMB gave invited presentations at UoM Quantum Networking Day (May 2024), Condensed Matter Quantum Materials (July 2024) and Spin Chemistry (Kobe, Sept. 2024) meetings. EJLM lectured at the International Molecular Magnetism Symposium in Copenhagen (Apr. 2024) and gave a plenary at the 12th EFEPR Conference (Marseille, Sept. 2024). NRF staff gave further presentations on EPR at the X-ray Free Electron Laser (XFEL) townhall meeting (Jan. 2024), RS Meeting of Minds (Apr. 2024; ca. 200 fellows in attendance), MRS Fall Meeting Enabling Next Generation Nuclear Energy Symposium (Boston, Dec. 2024), Science and Technology in High Magnetic Fields EMFL meeting (Oxford), the 30th International Conference on Magnetic Resonance in Biological Systems (Seoul, Aug. 2024, ca. 700 attendees) and at the Molecular Spin Meeting at IIT Bangalore (Nov. 2024). We hosted a three-day meeting on "Spin" (Jan. 2024; ca. 100 attendees), at which AMB lectured, involving invitees from chemistry, physics, materials and engineering around the UK and overseas, including many users of the EPR NRF and potential new users. Industry engagement: FT attended a Quantum Technologies Industry event (Feb 2024) that included speakers from industry, government and academia. We hosted 3 visitors from PETRONAS; a Knowledge Transfer Partnership with Ingevity is ongoing; EJLM and AMB continue to deliver an on-line Magnetic Resonance Distance Learning unit (MSc), aimed at industry (now 8th and 9th cohorts). We presented at the UoM "Industry Day" event (Mar. 2024) to promote industrial interactions. Staff training and development: All staff hold permanent positions at UoM. AMB has been promoted to Senior Lecturer, completed the 2024 UoM Leading Researchers programme, and has had her Royal Society Dorothy Hodgkin Fellowship extended for a further 3 years. MS completed a leadership program in 2024. FT was invited to attend the UoM Leading Researchers programme in 2025; until recently she was Departmental EDI Lead. We are investigating ways for AB to undertake a PhD whilst performing his duties at the EPR NRF. In 2024, he attended the Quantum Design users meeting in Oxford, and Bruker's NMR/EPR users meeting in Coventry, for latest developments in FMR, SQUID and magnetic resonance. He has been appointed Non-Ionising Radiation Safety advisor for the PSI. Public engagement: We delivered outreach events at the UoM Bicentenary Science Festival (June 2024) celebrating 200 years of education and innovation (>1000 participants; Greater Manchester schools and public), and the at the 2024 RSC Summer Science Exhibition in London (July 2024; >1700 attendees). AMB gave a general magnetic resonance talk to ca. 20 chemistry teachers, part of PTI Chemistry Teacher Subject Day (Nov. 2024), completed a Royal Society funded Science Policy placement in the UKGov Department for Science, Innovation and Technology (Mar. 2023-Mar. 2024), and contributed to a Science Policy course (Mar. 2024) run by the Royal Society. AMB has been selected to be part of the working group for the policy chapter of the Royal Society Bodmer report review looking at public engagement with science. Societal & economic impacts: We successfully bid to the EPSRC "Living labs to improve the environmental sustainability of research infrastructure" call. In this we have engaged with UoM Sustainable Futures network: the proposal is to develop a full Life-Cycle Analysis (LCA) of NRF activities and disseminate results to other large multi-user labs and facilities. Bronze LEAF has been awarded to the NRF lab. AMB is part of a bilateral Science Policy project between the Academy of Medical Sciences and the US National Academy of Medicine looking at sustainability in biomedical research, due to report in 2025 (Exploring climate and health with next generation research leaders | The Academy of Medical Sciences). |
| Year(s) Of Engagement Activity | 2024 |