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. 2019 Jun 20;59(2):984–995. doi: 10.1021/acs.inorgchem.9b00974

Table 1. Comparison of the Main Geometry Parameters of the FeS monomer and Fe2S2 dimerA.

    [Fe2S2]2+
  [Fe(SR)4]− X-ray C2h
Fe–Fe (Å)   2.70 2.70
θ1 (deg) 57.12 55.57 55.51
θ2 (deg)   52.38 52.36
ψ (deg) 54.56 62.5 64.38
Fe–S–CH3 (deg) 102.34 110.67 110.68
Fe–SR (Å) 2.264 2.303 2.310
Fe−μS (Å)   2.202 2.199
S–C (Å) 1.845 1.774 1.779
A

A comparison of the C2h symmetrized geometry is also given.