Decision Trees for Metal-Centered Chirality

While established guidelines have long existed for tetrahedral molecules, there was previously a notable absence of clear rules for recognizing metal-centered chirality in higher-coordination number complexes. To bridge this gap, we developed Decision Trees to assess the likelihood of chirality-at-metal in coordination complexes with coordination numbers 4-9. Using simple binary decision rules based on shape, ligand type, and quantity, these flowcharts quickly classify complexes as chiral-at-metal or achiral. Please, 📖 Read the article: https://doi.org/10.1002/jcc.70025 💻 Download Complex Build Software v1.2.0 to automate the exploration and construction of stereoisomers: https://complexbuild.sparkle.pro.br/