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. Author manuscript; available in PMC: 2014 Oct 30.
Published in final edited form as: J Am Chem Soc. 2013 Oct 17;135(43):16148–16160. doi: 10.1021/ja406721a

Figure 8.

Figure 8

Structure of the cis isomer of the complex cation [[FurNeu](Cu2(μ-O))]2+ of [FurNeu](Cu2(μ-O))(OTf)2, 5, as optimized at the B3LYP/def2-TZVP level. All hydrogen atoms have been omitted for clarity. Selected bond lengths [Å] and angles [°]: Cu2⋯Cu3 2.844, Cu2–O1 1.791, Cu3–O1 1.791, Cu2–N4 2.407, Cu2-N5 2.022, Cu2–N6 2.163, Cu3–N7 2.415, Cu3-N8 2.024, Cu3-N9 2.157, Cu2–O1–Cu3 105.17.