Crystal Structure of a 1,3-Diyne Iron Complex, [(η⁵-Cp)₂Fe₂(μ-CO) (CO) {μ, η¹: η¹: η²-(C=O) C (C₆H₅)=C–C≡CC₆H₅)}]·0.5 (C₂H₄Cl₂), Formed by C–C Bond Coupling with Carbon Monoxide

Abstract

The compound crystallized in a monoclinic system, and was characterized thus: space group P2₁/n, a = 7.887(41)Å, b = 21.853(11)Å, c = 14.355(7)Å, β = 100.567(4)°, Z = 4, V = 2432.27(28)ų. The crystal structure was solved by direct methods and refined by full-matrix least squares on F₂ to final values of R₁ = 0.0539 and wR₂ = 0.1568. 1,3-Diyne of the title compound, undergoing C–C bond coupling with carbon monoxide, cross-links to {(η⁵-Cp)₂Fe₂(μ-CO) (CO)₂}-group to form a 1,2-dimetalla-3-cyclopentene-5-one by a (μ, η¹: η¹: η²)-bond fashion with atomic distances of Fe1–Fe2 2.553(1)Å, Fe1–C1 2.058(3)Å, Fe2–C2 1.945(3)Å, C1–C2 1.423(4)Å, and C1–C3 1.499(4)Å, respectively.