Crystal Structure of a Rigid Ferrocene-Based Macrocycle from High-Resolution X-ray Powder Diffraction

A macrocycle, 6, has been synthesized in high yield from 2,5-di(pyrazol-1-yl)hydroquinone and 1,1‘-fc[B(Me)NMe 2 ] 2 {fc = Fe(C 5 H 4 ) 2 }. The molecule incorporates two redox-active 1,1‘-ferrocenylene units in its backbone and contains four chiral boron centers, each of them possessing the same configuration. It is demonstrated that crystal structures of organometallics of moderate complexity can be solved from high-resolution X-ray powder diffraction patterns, once the connectivity between the functional groups is known.