(IUCr) Local structure in molecular complexes

Figure 5
The four panels contain the average amplitudes of the MS signals associated with the four-body Fe-C-N-Cu configuration as a function of the bond angles. Fe and Cu K-edge calculations are reported in the lower and upper panels, respectively. The left-hand panels contain the average amplitudes obtained for fixed $[\theta_2 = 170]$ ° while the right-hand panels refer to calculations with $[\theta_1 = 180]$ °. All of the two-body $[\gamma^{(2)}_{\rm L}]$ (dots), three-body $[\gamma^{(3)}_{\rm F}]$ and $[\gamma^{(3)}_{\rm S}]$ (dashed and dot-dashed), four-body $[\gamma^{(4)}]$ , and total $[\eta^{(4)}]$ (squares) MS signals are reported.