Calculated ΔE_S, ΔE_S + ΔE_Gas and experimentally measured T_1/2 for complex 15 and 19 in various solvents.

Complex	Solvent	ΔESa/kJ mol−1	ΔES + ΔEGasa/kJ mol−1	T 1/2/K
15	MeCN	30.6	21.7	344
	Acetone	29.7	20.8	330
	DCM	27.1	18.2	286
	DCE	27.7	18.8	293
19	MeCN	30.5	13.3	290
	Acetone	29.6	12.4	273
	DCM	27.0	9.8	242
	DCE	27.6	10.4	—

^aΔE_S and ΔE_S + ΔE_Gas are calculated with M06L-D4/def2-TZVPP as E_HS-CoII-sq − E_LS-CoIII-cat.