Synthesis, X-ray Structure Analysis and Spectroscopic Characterization of trans-Aquabis(μ-benzoato-κ2 O:O′) bis[μ-N,N′-bis(4-methoxyphenyl) formamidinato-κ2 N:N′] dimolybdenum(II)

Article abstract of DOI:10.1007/s10870-017-0698-7

Abstract: The title compound, trans-Mo₂(DAniF)₂(OOCC₆H₅)₂(H₂O) (I) has a quadruply bonded Mo₂ ⁴⁺ unit equatorially coordinated by two N,N′-bis(4-methoxyphenyl)formamidinate (referred as DAniF) ligands and two benzoate (OOCC₆H₅) groups in transverse, and axially coordinated by one aqua oxygen atom. The compound crystallizes in the space group C2/c with one molecule in the asymmetric unit and features a Mo–Mo bond length of 2.0983(4) ?, which is typical for dimolybdenum quadruple bonds. In the crystal, the offsetstacking between pairs of phenyl rings creating a one-dimensional linear chain perpendicular to the Mo–Mo directions, with a distance between phenyl rings of 3.44?? and the center-to-center distance of 3.83??. The coordinated water oxygen atoms act as donors and uncoordinated methoxyl group oxygen atoms act as acceptors in intermolecular O–H?O hydrogen bonds.stacking between phenyl rings assemble the molecules into a three-dimensional framework. Graphical Abstract: The offsetstacking between phenyl rings of quadruply bonded Mo₂ ⁴⁺ paddle-wheel molecules create a one-dimensional linear chain. [Figure not available: see fulltext.].