Table 2. Bond length (d), electron density ρ(r) and Laplacian ∇²ρ(r) values at BCP1–8 (for numbering, refer to Fig. 6). Estimated standard deviations for ρ(r) were taken from the XD2006 program suite,26 while for ∇²ρ(r) they were taken from the method proposed by Krause et al.27.

		d/Å	Experimental		Theoretical a
			ρ(r)/eÅ–3	∇2ρ(r)/eÅ–5	ρ(r)/eÅ–3	∇2ρ(r)/eÅ–5
BCP1	Li1–N1	2.0460(3)	0.139(1)	4.085(10)	0.184	3.891
BCP2	Li2–N1	2.1212(3)	0.116(1)	3.254(7)	0.148	3.113
BCP3	Li1–N4	2.0705(3)	0.132(1)	3.784(8)	0.171	3.588
BCP4	Li2–N4	2.0363(3)	0.148(1)	4.195(7)	0.187	3.956
BCP5	Li1–N2	2.1165(3)	0.122(1)	3.557(6)	0.162	3.266
BCP6	Li2–N3	2.1169(3)	0.121(1)	3.549(5)	0.163	3.227
BCP7	Li1–N5	2.1315(3)	0.116(1)	3.404(5)	0.157	3.113
BCP8	Li2–N6	2.1033(3)	0.126(1)	3.687(5)	0.168	3.389

^aElectron density computed at the BP86+D3(BJ)/def2-TZVPP level of theory on the frozen experimental geometry.