Table 1.

Comparison of structural details extracted from X‐ray analysis.

Structural details	[C60@Pd2 L1 4]4+[a]	[Pd2 L1 4]4+	[Pd2 L3 4]4+	[Pd2 L2 4]4+	[C70@Pd2 L2 4]4+	[C60@Pd2 L2 3(MeCN)2]4+
Pd–Pd distance a [Å]	14.61	15.94	16.19	18.80	19.33	20.22
Horizontal distance b [Å][b]	15.12	14.12	13.15	16.90	16.17	15.14
Dihedral angle α [°][c]	122.1	124.3	126.9	120.2	124.3	123.9
Dihedral angle β [°][d]	62.8	1.0	76.9	1.2	1.4	0.6
Volume of cavity [Å3][e]	780	572	518	1099	995	–

[a] Average value from three crystallographically independent cages of [C₆₀@Pd₂ L¹ ₄]⁴⁺. [b] Distance between opposite backbones as defined by the line connecting the midpoints between atoms C2 and C5. [c] Dihedral angle between the backbone's benzene planes C16_C17_C18_C22_C23_C24 and C7_C8_C9_C13_C14_C15. [d] Dihedral angle between vectors formed by coordinating N atoms and Pd atoms. [e] VOIDOO‐calculated void space with a probe radius of 3.2 Å.