Abstract
Comparison of the structural parameters of the monosubstituted complex (tBuCp)2Mo2(CO)6 (1) with the corresponding structural parameters of the disubstituted (1,2-tBu2Cp)2Mo2(CO)6 (3) and unsubstituted Cp2Mo2(CO)6 (2) complexes allowed us to identify the features of the crystal structure (3) caused by the presence of two tert-butyl substituents in the 1,2- (vicinal) position in the cyclopentadienyl (Cp) ring. These features are manifested primarily in the change in the length of the Mo–Mo bond, the magnitude of the rotation angle of both the tBu2Cp ring around the Ct–Mo axis and the tert-butyl groups around the C(ring)–C(tBu) bond, the length of the C–C bonds in both in the cyclopentadienyl C5-ring and the tert-butyl substituent, and the values of the internal and external C–C–C angles of the cyclopentadienyl C5- ring. Most of these features are due to steric interactions observed in the crystal structure (3) between different groups and fragments of the molecule.