READ ME File For '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 DOI: 10.5258/SOTON/D2767

Date that the file was created: November, 2023

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GENERAL INFORMATION
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ReadMe Author: Victoria Greenacre, University of Southampton

Date of data collection: January 2023 to November 2023

Information about geographic location of data collection: United Kingdom

Related projects:

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SHARING/ACCESS INFORMATION
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Licenses/restrictions placed on the data, or limitations of reuse: CC-BY

This dataset supports the publication:
AUTHORS: Danielle E. Runacres, Victoria K. Greenacre, John M. Dyke, Julian Grigg, George Herbert,
William Levason, Graeme McRobbie, and Gillian Reid
TITLE: 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
JOURNAL: Inorganic Chemistry
PAPER DOI IF KNOWN: https://doi.org/10.1021/acs.inorgchem.3c03135

Links to other publicly accessible locations of the data:

Links/relationships to ancillary or related data sets: 


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DATA & FILE OVERVIEW
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This dataset contains: xyz coordinates for various DFT complexes calculated in this paper