Table 1.

Coordinative bond distances detected in crystallised structures of diRu-based paddlewheel complexes with the protein HEWL. (No data exist in the RCSB database for the usage of other proteins.) When several equivalent bonds are present, the reported value is the average. All the distances are in ångströms. μ-O,O-ligands: Asp = β-carboxylate, OAc = acetyl carboxylate, COO = buffer carboxylate, CO₃ = carbonate ion, Leu = C-terminal carboxylate, and succ = succinate; μ-N,N’-ligands: form = N,N’-diphenylformamidinate (DPhF), N,N’-bis(4-fluorophenyl)formamidinate (D-p-FPhF), or N,N’-bis(4-metoxy-phenyl)formamidinate (DAniF); N-ligands: Arg = ε-guanidine and Lys = ε-amine.

Complex (Axial) Ru2 (Equatorial)	Adduct (Axial) Ru2 (Equatorial)	H2O	Ru	H2O	OAc	COO	CO3	Asp	Asp *	succ	Leu	form	Arg/ Lys	PDB
(Cl)Ru2(μ-O2CCH3)4	[(H2O)2Ru2(μ-O2CCH3)2(OH2)2]3+	2.74	2.31	2.64	2.01	-	-	-	-	-	-	-	-	4ooo, [39]
	[(H2O)(Cl)Ru2(μ-O2CCH3)2(OH2)2]2+	2.58	2.24	1.84	2.01	-	-	2.04	-	-	-	-	-	4ooo, [39]
(Cl)Ru2(DPhF)(O2CCH3)3	(H2O)(Cl)Ru2(DPhF)(μ-O2CCH3)(succ)(Asp)	2.61	2.30	-	2.06	-	-	-	2.09, 2.57, 2.71	2.71	-	2.02	-	8ph7, [40]
	[(H2O)(Lys)Ru2(DPhF)(μ-O2CCH3)(succ)2]+	2.06	2.27	-	2.04	-	-	-	-	1.92	-	2.02	2.47	8ph7, [40]
(Cl)Ru2(DPhF)2(O2CCH3)2	[(H2O)Ru2(DPhF)2(μ-O2CCH3)(Asp)]+	2.38	2.29	-	-	2.09	-	2.03	-	-	-	2.05	-	8ph5, [40]
	[(H2O)2Ru2(DPhF)2(μ-O2CCH3)(Asp)]+	2.40	2.33	-	-	2.08	-	2.10	-	-	-	2.04	-	8ph5, [40]
(Cl)Ru2(D-p-FPhF)(O2CCH3)3	[(H2O)2Ru2(D-p-FPhF)(μ-O2CCH3)2]2+	2.00	2.25	-	2.05	-	-	-	-	-	-	2.02	-	8bpj, [41]
	[(H2O)2Ru2(D-p-FPhF)(μ-O2CCH3)2(Asp)]+	2.57	2.28	-	-	2.03	-	2.15	-	-	-	2.01	-	8bpu, [41]
(Cl)Ru2(DAniF)(O2CCH3)3	[(H2O)Ru2(DAniF)(μ-O2CCH3)2(Asp)]+	2.12	2.28	-	2.05	-	-	2.11	-	-	-	2.04	-	8pfv, [42]
[Ru2(CO3)4]3−	[Ru2(CO3)3(Leu)]2−	-	2.29	-	-	-	2.16	-	-	-	2.25	-	-	8pfu, [42]
[Ru2(DPhF)(CO3)3]2−	[(H2O)Ru2(DPhF)(COO)(CO3)2]−	2.18	2.29	-	-	2.03	2.04	-	-	-	-	2.04	-	8ph6, [40]
	[(H2O)Ru2(DPhF)(Asp)(COO)(Arg)]2+	2.30	2.29	-	-	2.05	-	2.11	-	-	-	2.05	2.10	8ph6, [40]
	[(H2O)Ru2(DPhF)(CO3)3]2−	2.17	2.26	-	-	-	2.05	-	-	-	-	2.05	-	8ph6, [40]
	[(H2O)Ru2(DPhF)(Asp)(COO)(O2CCH3)]+	2.35	2.27	-	2.02	2.07	-	2.04	-	-	-	2.04	-	8ph6, [40]
[Ru2(D-p-FPhF)(CO3)3]2−	[Ru2(D-p-FPhF)(CO3)(OH2)2]2+	-	2.26	2.04	-	-	2.05	no	-	-	-	2.01	-	8pft, [42]
	[Ru2(D-p-FPhF)(Asp)(CO3)(OH2)2]+	-	2.29	2.03	-	-	2.04	2.25	-	-	-	2.02	-	8pft, [42]
[Ru2(D-p-FPhF)(CO3)3]2−	[(H2O)2Ru2(D-p-FPhF)(Asp)(CO3)(OH2)2]+	2.26	2.30	2.02	-	-	2.04	2.12	-	-	-	2.02	-	8pfx, [42]
[Ru2(DAniF)(CO3)3]2−	[(H2O)2Ru2(DAniF)(CO3)3]2−	2.55	2.29	-	-	-	2.04	-	-	-	-	2.04	-	8pfw, [42]
	[(H2O)Ru2(DAniF)(Asp)(CO3)2]−	2.36	2.28	-	-	-	2.04	2.06	-	-	-	2.03	-	8pfw, [42]
	[(H2O)Ru2(DAniF)(CO3)3]2−	2.31	2.27	-	-	-	2.06	-	-	-	-	2.03	-	8pfw, [42]
	average distance	2.35	2.28	2.11	2.03	2.06	2.06	2.10	2.46	2.32	2.25	2.03	2.29

* This column features Ru-O(Asp) bonds in cases when Asp is interacting with the metal centre(s) only with one oxygen.