Variations in Molecular Geometry along the Isoelectronic Series Co2(CO)8, [FeCo(CO)8]", and [Fe2(CO)s]2-Sir:Co2(CO)8 is an example of a compound whose solid state and solution structures are different. While X-ray studies1 have indicated a C2" double CO-bridged structure (I) in the crystal, infrared studies2 have shown that in solution the molecule exists as an equilibrium mixture of (I) and the nonbridged Du isomer (II). We wish to report that interesting changes occur in the geometry of this species as its charge is systematically varied (i.e., as each Co atom is replaced by Fe_).
The following programs were used on an IBM 360/65 computer: magtape and SCTFT2, data reduction programs by V. W. Day; mimdap, a version of Zalkin's Fourier program fordap; orflse, full-matrix least-squares refinement program, a highly modified version of Martin and Levy's original orfls; orffe, bond length and angles with standard deviations by Busing, Martin, and Levy; orteps, thermal ellipsoid plotting program by C. K. Johnson; prtout, structure factor table program by V. W. Day. (12) D. T.
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