What is it about?
The program reported in this work, called OctaDist, is easy to use and allows researchers to determine the degree of distortion at octahedral metal centres.
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Why is it important?
Distortion at metal centres can be tied to the unique chemistry that they exhibit. It follows that understanding distortion is key to the design of materials with predictable properties.
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This page is a summary of: OctaDist: a tool for calculating distortion parameters in spin crossover and coordination complexes, Dalton Transactions, January 2021, Royal Society of Chemistry,
DOI: 10.1039/d0dt03988h.
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