Analysing the tree, we can see that the Cu-C distance plays a key role in the splitting of the educts and products, with the majority of transition states being grouped with the educt class. The remaining transition state contamination of the product ensemble can be separated by taking the angle determined by the phenanthroline bridge, Cu and Br atoms into account (Phena-Cu-Br), where values below 112.8° are indicative of a transition state.