Figure 1. Molecular and electronic structure of complex 1.

(a) Crystallographic structure of the anion of 1. Cobalt is shown in blue, oxygen in red, sulfur in yellow, nitrogen in violet and carbon in grey. Hydrogen atoms have been omitted for clarity. (b) Molecular orbital diagram showing the calculated d-orbital splitting for 1. Horizontal lines depict orbital energies while arrows pointing up or down stand for single electron spins.