Fig. 5. Solid state structure of cis-[Pd2(2)4](BF4)4 viewed (a) from the side and (b) down the Pd–Pd axis with encapsulated BF4− anions shown (hydrogen atoms omitted for clarity). Bond lengths (Å): Pd–Npyridine 1.990(17)/2.069(2); Pd–Nisoquinoline 2.029(3)/2.040(3). (c) Solid state structure of cis-[Pd2(4)4](BF4)4. Bond lengths (Å): Pd–Npyridine 2.044(8)/2.056(8); Pd–Nisoquinoline 2.006(9)/2.007(8). (d) Calculated structures (B3LYP/6-31G(d)/SDD) of the A, B, C and D isomers of [Pd2(5)4]4+ with energies relative to C. Hydrogen atoms have been omitted for clarity.
