Figure 4. Correlation of experimental and calculated isomer shifts (left) and quadrupole splitting parameters (right) for the density functionals TPSSh (A, B), B3LYP (C, D) and PBE0 (E, F). The correlation is based on the unfilled symbols; the filled symbols for complexes 9 and10 were excluded. Numerical values are provided in Table 3, fit parameters in Table 4. Correlation plots including all 20 data points and with the densities obtained by Pápai and Vankó21are shown in the SI (Figures S1, S2, Table S9).