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. Author manuscript; available in PMC: 2012 Oct 12.
Published in final edited form as: J Am Chem Soc. 2011 Sep 20;133(40):16219–16234. doi: 10.1021/ja206806t

Table 3.

Ln⋯Ln, Ln-N and Ln-O Distances (Å), Bond Valences (νLn,j)a and Bond Valence Sums (VLn)b in the Crystal Structures of [Yb2(L3)(hfac)6] (1), [Yb2(L4)(hfac)6] (3) and [Eu2(L5)(hfac)6] (4).

[Yb2(L3)(hfac)6] [Yb2(L4)(hfac)6] Eu2(L5)(hfac)6]
Ln-Nbzim c 2.443(4) 2.476(4) 2.581(1)
Ln-Npy 2.519 2.526 2.61
Ln-O d 2.38(8) 2.36(7) 2.43(2)
Ln⋯Ln /Å 12.624 14.77 14.928
νLn, N(bzim)c 0.359(4) 0.328(4) 0.322(1)
νLn,N(py) 0.292 0.287 0.297
νLn,Od 0.33(6) 0.34(6) 0.35(2)
VLn 2.964 2.980 3.039
a

νLn,j = e[(RLnjdLn,j)/b], whereby dLn,j is the Ln-donor atom j distance. The valence bond parameters RLn,N and RLn,O are taken from refs 41e,f and b = 0.37 Å.

b

VLn=jνLn,j.41

c,d

Each value is the average of twoc or sixd bond distances and the numbers between brackets correspond to the standard deviations affecting the average values (the original uncertainties affecting each bond length are given in Tables S4, S8 and S10; bzim = benzimidazole and py = pyridine).