Table 2. Comparison of Key Distances between the Experiment for the 2:1 La(III)–DAPhen Complex Based on the Single-Crystal Structure (Figure 9b)⁴⁷ and the Present Work for the 2:1 Nd(III)–BLPhen from FPMD.

distances (Å)	M = La experiment	M = Nd present work
M–O(ligand)	2.61	2.58
M–N(ligand)	2.76	2.72
M–O(NO3)	2.71	2.53
M–N(NO3)	3.13	3.13, 3.53