The data support the associated journal publication including supplementary information of the article. Further information around the data can be found in the main manuscript and the supplementary information including references. Computational/DFT data (log-files) for all compounds are available. These can be opened with standard computational software such as Gaussian/GaussView or simple text readers such as editor or notepad. The atomic coordinates are also available via the supplementary information of the article. NMR data as spectrometer (Bruker) folders for individual experiments are provided. These can be opened with common NMR software such as MNova (plus selected mnova-files) or NMRium.