Lipophilicity Assessment of Ruthenium(II)-Arene Complexes by the Means of Reversed-Phase Thin-Layer Chromatography and DFT Calculations

Table 5

Selected average bond lengths (Å) and valence angles (°) for available crystallographic data (a) and comparison with DFT energy-minimized structures (b).

Comp.	Bond lengths (Å)				Valence angles (°)
	M–C	M–Cl	M–N	M–O	O–M–N	O–M–Cl	N–M–Cl	Cl–M–Cl
Ru-1
a	2.18	2.40	2.13	—	—	—	86.0	87.0
b	2.19	2.37	2.05	—	—	—	84.8	88.7
Ru-7
a	2.18	2.41	2.10	2.10	77.9	86.7	85.3	—
b	2.19	2.37	2.03	2.04	78.8	88.6	81.9	—
Ru-9
a	2.19	2.40	2.16	2.09	76.9	83.7	85.2	—
b	2.18	2.37	2.04	2.03	79.1	86.6	82.8	—
Ru-10
a	2.19	2.42	2.10	2.09	78.0	85.2	85.2	—
b	2.18	2.37	2.04	2.03	79.1	86.6	82.8	—