Abstract
The crystal structure of MoO(O 2) 2(H 2O)(hmpa), hmpa=hexamethylphosphoramide, has been reassessed and corrected as one of the axial parameters (namely the c-axis) was reported incorrectly. This resulted in significant differences in the internal geometry of the molecule, notably an decreased O–O atom distance (≈0.03 Å) in the metal-bonded peroxo ligands. Crystal packing forces and a flat bending potential of the Mo–O–P angle accounts for discrepancies between theory and experimental structures.
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