The Crystal and Molecular Structure of π-Cyclooctenyl-π-cycloocta-1,5-dienecobalt, Co(C8H13) (C8H12)

Abstract

Abstract The crystal structure of π-cyclooctenyl-π-cycloocta-1,5-dienecobalt, Co(C8H13)(C8H12), has been established by successive Fourier analyses. The atomic parameters were refined by least-squares techniques using three-dimensional X-ray data to an R factor of 0.125. The complex molecule crystallizes in the space group P21⁄c with four molecules in the unit cell of dimensions: a=10.78, b=7.30, c=17.81 Å, β=104.2°. The four cobalt atoms lie nearly on the face-centered positions in the unit cell and are sandwiched between the two ligands, cyclooctenyl C8H13 and cyclooctadiene C8H12. The seven nearest Co···C distances range from 2.02 Å to 2.09 Å. Atoms Co, C(1), C(3) and the respective centers of the two double bonds, C(9)–C(16) and C(12)–C(13), in C8H12 ring are coplanar to within 0.08 Å. The conformation of C8H13 is of the tub form and C8H12 of the boat form. The two lengths of the double bonds in C8H12 are 1.41 Å and 1.39 Å, while those in the allyl part in C8H13 are 1.35 Å and 1.46 Å, respectively. The average distance of the remaining twelve C–C bonds is 1.54 Å.