Tetravalent Ruthenium Porphyrin. II. The Molecular and Crystal Structure of μ-Oxo-bis[(octaethylporphinato)ruthenium(IV) chloride] Benzene Solvate

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Abstract
The crystal structure of μ-oxo-bis[(octaethylporphinato)ruthenium(IV) chloride] benzene solvate, [Ru(IV)(oep)Cl]2O–C6H6, was determined by the X-ray method. The complex crystallizes in the tetragonal space group P4/nnc, a=13.912(2) Å, c=17.821(4) Å, and Z=2. The structure was solved by the heavy-atom method and refined to R=0.084 for 958 reflections. The [Ru(IV) (oep)Cl]2O complex has the crystallographic D4-422 symmetry and contains the binuclear (Cl)N4Ru–O–RuN4(Cl) coordination group with the Ru–O(μ) distance of 1.793(2) Å, the Ru–Cl distance of 2.320(6) Å, and the Ru–N distance of 2.038(9) Å. The Ru–O–Ru bond is explicitly linear, and the two porphinato cores rotate around the Ru–O–Ru bond by 21.0° from the eclipsed form. The porphinato core is planar within 0.04 Å, and the Ru atom is displaced only by 0.07 Å out of the plane defined by the four porphinato nitrogen atoms toward the bridging O atom. These results are compared with those of the previously reported [Ru(IV)(oep)(OH)2]O–CH3OH crystal.

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