Crystal structure of tetraphenyl phosphate tetrakis[dimethyl (2,2,2-trichloroacetyl)phosphoramidato]lutetium(III), PPh4[LuL 4]

A lutetium(III) complex based on the anion of the ligand dimethyl (2,2,2-trichloroacetyl)phosphoramidate (H L ) and tetraphenylphosphonium, of composition PPh 4 [Lu L 4 ] ( L = CAPh = carbacylamidophosphate), or (C 24 H 20 )[Lu(C 4 H 6 Cl 3 NO 4 P) 4 ], has been synthesized and structurally characterized. The X-ray diffraction study of the compound revealed that the lutetium ion is surrounded by four bis-chelating CAPh ligands, forming the complex anion [Lu L 4 ] − with a coordination number of 8[O] for Lu III , while PPh 4 + serves as a counter-ion. The coordination geometry around the Lu 3+ ion was determined to be a nearly perfect triangular dodecahedron. The complex crystallizes in the monoclinic crystal system, space group P 2 1 / c , with four molecules in the unit cell. Weak hydrogen bonds O...HC(Ph), Cl...HC(Ph) and N...HC(Ph) are formed between the cations and anions. For a comparative study, H L -based structures were retrieved from the Cambridge Structural Database (CSD) and their geometries and conformations are discussed. A Hirshfeld surface analysis was also performed.