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. 2014 Dec 17;119(2):383–394. doi: 10.1021/jp511040p

Table 3. Selected Hydrogen Bonding Parameters (Å, deg) for the Halide Complexes of La.

D–H···A D···A H···A ∠D–H···A
1
N1–H1···Cl1 3.0674(18) 2.14 178.1
N2–H22···Cl1 3.126(2) 2.25 159.5
N3–H32N···Cl1 3.146(2) 2.23 170.6
2
N2–H21N···Br1 3.3398(12) 2.48(2) 168.0(19)
N3–H31N···Br1 3.3622(12) 2.52(2) 167.2(19)
3
N(4)–H(4A)···I(2) 3.827(5) 3.22(6) 129(4))
N(13)–H(13B)···I(2)i 2.76(5) 3.573(5) 159(5)
N(4)–H(4B)···O(1S) 2.13(6) 2.935(6) 157(5)
N(13)–H(13A)···O(1S)i 2.10(6) 2.948(6) 178(5)
O(1S) −H(1S) ···I(1) 2.87(6) 3.539(4) 148(6)
a

(i) Symmetry code: 1 – x + 1, −y + 1, −z.