Table 2. Mn–Mn distances (Å).

	S0: pre-PT (O4=OH−)	S1: post-PT (O4=O2−)
Mn1–4	III, IV, IV, III	III, IV, IV, III
Mn1–Mn2	2.75	2.75
Mn2–Mn3	2.76	2.76
Mn1–Mn3	3.36	3.28
Mn3–Mn4	2.86	2.70*
Mn1–Mn4	4.74	4.81

^*Essentially consistent with the value of 2.71 Å in S₁ (O4 and O5=O²⁻) in other studies (for example, ref. 34).