Crystal structure of bulky-ligand-protected Au 24 (S-C 4 H 9 ) 16 .

Atomically precise thiolate-protected gold nanomolecules have attracted interest due to their distinct electronic and chemical properties. The structure of these nanomolecules is important for understanding their peculiar properties. Here, we report the X-ray crystal structure of a 24-atom gold nanomolecule protected by 16 tert-butylthiolate ligands. The composition of Au 24 (S-C 4 H 9 ) 16 {poly[hexadecakis(μ-tert-butylthiolato)tetracosagold]} was confirmed by X-ray crystallography and electrospray ionization mass spectrometry (ESI-MS). The nanomolecule was synthesized in a one-phase synthesis and crystallized from a hexane-ethanol layered solution. The X-ray structure confirms the 16-atom core protected by two monomeric and two trimeric staples with four bridging ligands. The Au 24 (S-C 4 H 9 ) 16 cluster follows the shell-closing magic number of 8.