Structure of a catalytically active octanuclear cobalt complex [Co(II)Co(III)(μ-O)(μ-OC Ph)( PhCOOH)].

The structure of a catalytically active octanuclear mixed-valence cobalt complex [Co(II)Co(III)(μ-O)(μ-OC Ph)( PhCOOH)] ( Ph = phenyl, CH) has been determined using an X-ray diffraction analysis. The presence of 16 ligands containing phenyl rings in each complex gives rise to strong steric stresses and leads to a disordering of terminal groups. The compound crystallizes in the monoclinic crystal system, space group of symmetry P2/ n, with the unit cell parameters a = 18.076(5) Å, b = 26.371(3) Å, c = 22.791(5) Å β = 92.48(1)°, V = 10853(4) Å, Z = 4, and ρ = 1.516 g/cm. The final values of the discrepancy factors are R1 = 0.0441 for 4005 symmetrically nonequivalent reflections with I ≥ 2σ( I), wR2 = 0.1131, and GooF = 0.943. [ABSTRACT FROM AUTHOR]