Computational and Experimental Data: A Gallium(I) β-Amido-Imino-Phosphorane: A Five-membered N-Heterocyclic Gallylene with Enhanced Nucleophilicity

Optimized (BP86(D3BJ)/def2SVP) geometries of selected N-heterocyclic gallylenes and CUBE files for the gallium(I) β-amido-imino-phosphorane (compound 5) computed at the M06(D3)/def2TZVP level of theory. NMR, IR and HRMS raw data for the compounds reported in this study.