CRYSTAL AND MOLECULAR-STRUCTURE OF MU-(ETA-5-ETA-1)CYCLOPENTADIENYL)-[(ETA-5-CYCLOPENTADIENYL)CARBONYLMOLYBDENUM][TETRACARBONYLMANGANESE]

The structure of the title compound, [formula ommited] has been determined by a three-dimensional X-ray diffraction study. The compound crystallizes in the triclinic space group P$$ with [formula ommited] The density of 1.89 g cm-3 calculated on the basis of two molecules in the unit cell agrees with the measured density of 1.88 g cm-3. Diffraction data to 20max = 65° (Mo Kα radiation) were collected on a Picker four-circle automated diffractometer. The structure was solved by the heavy-atom method and refined by full-matrix least-squares procedures to a conventional discrepancy index R = 0.045 on the basis of 4900 unique reflections. The C5H4 ring has C-C bond distances of average value 1.424 Å and appears to be a cyclopentadienyl ring rather than a dienecarbenoid ring. One carbon atom in the C5H4 ring is rather close to the Mn atom, Mn-C = 2.005 (4) Å and Mo-Mn = 2.9605 (8) Å. The angle Mo-Mn-C involving these three atoms is 49°. Apart from this cis compression, the disposition of the four CO groups around Mn is approximately octahedral; i.e., angles involving CCo and Mn are approximately 90°. The configuration around Mo is very similar to that in (η5-C5H5)2MoH2. © 1979, American Chemical Society. All rights reserved.