To evaluate the specific atom-atom pair correlations to the PDF peaks, the published structure for the [TBuA][Mn(dca)3] crystalline sample was refined against the PDF data (Methods, Fig. ). The weighted partial PDFs, g(r), were then calculated from the refined structure, and show that the Mn-N correlation at ca. 2.22 Å is accompanied by small contributions from nearby C-C and C-N correlations at 2.45 Å and 2.57 Å respectively (Fig. ).