Effect of temperature on the solid-state molecular structure of [Fe3(CO)12]

Abstract

The molecular and crystal structure of [Fe₃(CO)₁₂] has been reinvestigated from single-crystal X-ray diffraction data collected at 100, 160, 250 and 320 K. The asymmetric bridging carbonyl ligands become progressively more symmetric as the temperature is decreased. At the lowest temperature the molecule possesses nearly exact C_2v, symmetry. The crystal structure has been examined in the two limiting hypothetical P2₁ and P₁ crystals composing the disordered P2₁/n structure.