Fig. 5.

Correlation of ${}^{19}\mathrm{F}$ NMR parameters and their relationships to the crystalline state. (A) Correlation plot showing the relationship between chemical shift (ppm) and isotope shift (${\delta }_{{\mathrm{H}}_2\mathrm{O}}-{\delta }_{{\mathrm{D}}_2\mathrm{O}}$, ppm) for the ${}^{19}\mathrm{F}$ resonances of the $\mathrm{PGM}\mathrm{\text{-}}{\mathrm{MgF}}_3\mathrm{\text{-}}\mathrm{G}6\mathrm{P}\mathrm{\text{-}}\mathrm{TSA}$ complex (circles), the $\mathrm{PGM}\mathrm{\text{-}}{\mathrm{MgF}}_3\mathrm{\text{-}}\mathrm{\text{phosphonate}}\mathrm{\text{-}}\mathrm{TSA}$ complex (triangles) and the $\mathrm{PGM}\mathrm{\text{-}}{\mathrm{MgF}}_3\mathrm{\text{-}}2\mathrm{deoxyG}6\mathrm{P}\mathrm{\text{-}}\mathrm{TSA}$ complex (squares). Linear regression analysis gives ${\mathrm{R}}^2=0.94$. (B) Correlation plot showing the relationships between $J_{\mathrm{HF}}$ (filled symbols) and $J_{\mathrm{NF}}$ (open symbols) couplings with the corresponding internuclear distances derived from structures of the $\mathrm{PGM}\mathrm{\text{-}}{\mathrm{MgF}}_3\mathrm{\text{-}}\mathrm{G}6\mathrm{P}\mathrm{\text{-}}\mathrm{TSA}$ (circles) and $\mathrm{PGM}\mathrm{\text{-}}{\mathrm{AlF}}_4\mathrm{\text{-}}\mathrm{G}6\mathrm{P}\mathrm{\text{-}}\mathrm{TSA}$ (squares) (10) complexes. The F-N distances are derived directly from the experimental coordinates, and the F-H distances are determined to hydrogens positioned using the program XPLOR.