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Dataset in support of the journal article 'Synthesis, characterization and computational studies on gallium(III) and iron(III) complexes with a pentadentate macrocyclic bis-phosphinate chelator and their investigation as molecular scaffolds for 18F binding '

Dataset in support of the journal article 'Synthesis, characterization and computational studies on gallium(III) and iron(III) complexes with a pentadentate macrocyclic bis-phosphinate chelator and their investigation as molecular scaffolds for 18F binding '
Dataset in support of the journal article 'Synthesis, characterization and computational studies on gallium(III) and iron(III) complexes with a pentadentate macrocyclic bis-phosphinate chelator and their investigation as molecular scaffolds for 18F binding '
xyz coordinates for various DFT complexes calculated in this paper to be published in Inorganic Chemistry https://doi.org/10.1021/acs.inorgchem.3c03135
University of Southampton
Greenacre, Victoria
c665a38b-0b1a-4671-ac75-bf0679dd1c57
Runacres, Danielle
aae55f94-b99a-4e9f-9d1b-8bcd3f2a93b6
Dyke, John
46393b45-6694-46f3-af20-d7369d26199f
Grigg, Julian
fb292b6d-105f-468c-b056-d8fae1dc79b5
Herbert, George
47ab2c6f-45df-4694-a20c-bed575e866e0
Levason, William
e7f6d7c7-643c-49f5-8b57-0ebbe1bb52cd
McRobbie, Graeme
b12f273f-dd78-4ff8-a423-b0b5158091c7
Reid, Gillian
37d35b11-40ce-48c5-a68e-f6ce04cd4037
Greenacre, Victoria
c665a38b-0b1a-4671-ac75-bf0679dd1c57
Runacres, Danielle
aae55f94-b99a-4e9f-9d1b-8bcd3f2a93b6
Dyke, John
46393b45-6694-46f3-af20-d7369d26199f
Grigg, Julian
fb292b6d-105f-468c-b056-d8fae1dc79b5
Herbert, George
47ab2c6f-45df-4694-a20c-bed575e866e0
Levason, William
e7f6d7c7-643c-49f5-8b57-0ebbe1bb52cd
McRobbie, Graeme
b12f273f-dd78-4ff8-a423-b0b5158091c7
Reid, Gillian
37d35b11-40ce-48c5-a68e-f6ce04cd4037

Greenacre, Victoria, Runacres, Danielle, Dyke, John, Grigg, Julian, Herbert, George, Levason, William, McRobbie, Graeme and Reid, Gillian (2023) Dataset in support of the journal article 'Synthesis, characterization and computational studies on gallium(III) and iron(III) complexes with a pentadentate macrocyclic bis-phosphinate chelator and their investigation as molecular scaffolds for 18F binding '. University of Southampton doi:10.5258/SOTON/D2767 [Dataset]

Record type: Dataset

Abstract

xyz coordinates for various DFT complexes calculated in this paper to be published in Inorganic Chemistry https://doi.org/10.1021/acs.inorgchem.3c03135

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GaFTacn_DFT_coordinates.xyz - Dataset
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Published date: 29 November 2023
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Identifiers

Local EPrints ID: 485119
URI: http://eprints.soton.ac.uk/id/eprint/485119
DOI: doi:10.5258/SOTON/D2767
PURE UUID: 1c229b4f-b3e4-4a9d-8fd0-af3ddd1e3fbc
ORCID for Victoria Greenacre: ORCID iD orcid.org/0000-0002-3381-9616
ORCID for Danielle Runacres: ORCID iD orcid.org/0000-0002-2446-1763
ORCID for John Dyke: ORCID iD orcid.org/0000-0002-9808-303X
ORCID for William Levason: ORCID iD orcid.org/0000-0003-3540-0971
ORCID for Gillian Reid: ORCID iD orcid.org/0000-0001-5349-3468

Catalogue record

Date deposited: 29 Nov 2023 18:00
Last modified: 06 Jun 2024 02:08

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Contributors

Creator: Victoria Greenacre ORCID iD
Creator: Danielle Runacres ORCID iD
Creator: John Dyke ORCID iD
Creator: Julian Grigg
Creator: George Herbert
Creator: William Levason ORCID iD
Creator: Graeme McRobbie
Creator: Gillian Reid ORCID iD

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