Crystal structure of tricarbonyl[η4-6-exo-(triphenylphosphino)cyclohepta-2,4-dien-1-one]iron(0) tetrafluoroborate

Abstract

The molecular structure of tricarbonyl[η4-6-exo-(triphenylphosphino)cyclohepta-2,4-dien-1-one]iron(0) tetrafluoroborate dichloromethane hemisolvate, [Fe(C28H22O4)(CO)3]BF4·0.5CH2Cl2, as determined by single-crystal X-ray diffraction is reported. The two independent tricarbonyl[η4-6-exo-(triphenylphosphino)cyclohepta-2,4-dien-1-one] iron(0) cations and their corresponding anions form dimers, which constitute the asymmetric unit of the structure parallel to the (100) plane. Solid-state stability within that asymmetric unit as well as between neighboring dimeric units is afforded by C—H...O and C—H...F hydrogen bonds and C—H...π and Y—X...π (Y = B, C; X = F, O) interactions, which yield diperiodic sheets and a three-dimensional extended network.

Keywords

• crystal structure
• phosphine
• undergraduate
• iron carbonyl
• piano stool
• η4-cyclohepta-2,4-dien-1-one