Abstract
The structures of diiron nonacarbonyl and triiron dodecacarbonyl have been redetermined by single crystal three-dimensional X-ray crystallographic techniques. The structure of diiron nonacarbonyl previously determined by Powell and Ewens using two-dimensional data has been confirmed in all its main qualitative features. The structure contains crystallographic imposed C[subscript 3h] symmetry but there is little deviation from the higher symmetry D[subscript 3h]. The important bond distances with their estimated standard deviations in parentheses are: Fe-Fe, 2.523(1)AÌŠ; Fe-C (terminal), 1.838(3)AÌŠ; Fe-C (bridge), 2.016(3)AÌŠ; C-O (terminal), 1.156(4)AÌŠ; C-O (bridge), 1.176(5)AÌŠ. The molecular structure of triiron dodecacarbonyl as it occurs in its normal, disordered crystalline form has been determined with much improved accuracy. It was possible to disentangle completely the two disordered "half molecules" and thus to refine all twelve carbonyl groups. The refinement of the structure showed that, as Wei and Dahl suspected in the original structure determination, the two carbonyl bridges are distinctly unsymmetrical. ...
Troup, Jan Marshall (1975). A redetermination of the structures of diiron nonacarbonyl and triiron dodecacarbonyl and a structural investigation of the reaction products of diiron nonacarbonyl with nitrogen and phosphorus donor ligands in tetrahydrofuran. Doctoral dissertation, Texas A&M University. Texas A&M University. Libraries. Available electronically from
https : / /hdl .handle .net /1969 .1 /DISSERTATIONS -181946.