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. 2020 Jul 31;59(16):11704–11714. doi: 10.1021/acs.inorgchem.0c01593

Table 4. Metal–Metal Contributions to Peaks in D(r) for (Cu1/2Au1/2)CN and (Ag1/2Au1/2)CNa.

r metal···metal relationship at distance r arrow shown on Figure 5
∼3.35 M···M nearest neighbors within a layer a
∼4.96 Cu–N≡C–Au along the a chain b
∼5.18 Ag–N≡C–Au along the a chain b
∼5.80 M···M next-nearest neighbors within a layer c
∼5.98 Cu/Au···Cu/Au nearest metals in adjacent chains lying above and below the layer d
∼6.17 Ag/Au···Ag/Au nearest metals in adjacent chains lying above and below the layer d
∼6.70 M···M next-next-nearest neighbors within a layer e
∼7.70 M···M in next-next-nearest chains lying above and below the layer f
a

M···C and M···N correlations are also significant; for example, peaks observed at just over 4 Å involve only correlations of these types. Such correlations also make contributions to some of the peaks assigned above and need to be included to calculate D(r).