Fig. 4. Structure of semisynthetic H-cluster and structural changes in ligand coordination upon integration of 2FeH. (A) Stick model of the H-cluster of CpIADT colored according to element with Fo – Fc simulated annealing omit map contoured at 3.5σ. (B) Stick model of the crystal structure of Fe2[μ-(SCH2)2NH](CN)2(CO)42– (ref. 37). The planes in A and B are drawn through the sulfur atoms of the [2Fe] complexes and one of the two Fe atoms each to clarify the coordination geometry of the Fe ligands.
