An NMR spectroscopic and EHMO investigation of cationic mixed metal clusters: X-ray crystal structure of (1,7,7-trimethyl-μ2-2-propynylnorbornene)-bis(cyclopentadienyl)tetracarbonyldimolybdenum

The reaction of (C5H5)2Mo2(CO)4 with 2-endo-propynylborneol yields the tetrahedral cluster (R ★CCMe)Mo2(CO)4(C5H5)2 (7), where R ★ is the 2-norbornenyl group. This chiral molecule crystallizes in the orthorhombic space group P212121 with a 8.938(4), b 14.074(4), c 19.510(6) Å, V 2268(1) Å3, Dc 1.65 g cm−3, Dm 1.64 g cm−3, for Z = 4, and R1 = 0.0290 (R2 = 0.0276) for 4350 unique reflections (R1 = 0.0236, R2 = 0.0245 for 3846 reflections with I >…