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a) A pseudocontact chemical shift isosurface at −1 (dark grey) and +1 (light grey) ppm using the MST parameters obtained from the DvRd(Ni) NMR structure; b) A stereo overlay plot of the backbone and metal centre for the x-ray structures of DvRd(Fe) (dark grey) and CpRd(Ni) (light grey) and the mean NMR structure for DvRd(Ni) (black).
