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. 2022 Jul 29;15(18):e202201075. doi: 10.1002/cssc.202201075

Table 1.

Key geometric data of complexes C1C6.

Complex

Zn−Ngua [Å]

Zn−Npy [Å]

Ngua−Zn−Npy [°]

ρ [a]

τ 4 [b]

C1

2.033(2)

2.055(1)

81.1(1)

0.98

0.74

C2

2.034(4)

2.053(4)

81.6(1)

0.96

0.74

C3

1.963(2) 1.981(2)

2.022(2) 2.031(2)

85.0(1)/ 83.9(1)[c]

0.98 0.98

0.65

C4

2.018(1)

2.049(1)

82.5(1)

0.97

0.77

C5

2.012(2)

2.049(2)

82.6(1)

0.98

0.73

C6 [d]

1.959(3) 1.950(3)

2.034(3) 2.042(3)

84.5(1)/ 84.6(1)[c]

0.99 0.99

0.71

[a] ρ=2a/(b+c). [28] [b] τ 4 =[360°−(α+β)]/141°, with τ 4=0 indicating square‐planar coordination and τ 4=1 for tetrahedral coordination. [29] [c] Two chelate angles of both ligands to the Zn atom are reported. [d] Two crystallographic independent molecules have crystallized in the asymmetric unit. Both molecules possess equal bond length within the standard deviation. Crystallographic data of the second molecule are located in the Supporting Information.