Skip to main content
. 2021 Apr 9;6(15):10318–10332. doi: 10.1021/acsomega.1c00679

Table 2. Selected Geometrical Parameters for Complexes 1, 3, and 4.

  1 3 4
Interatomic Distances (Å)
O(1)–C(5) 1.210(4) 1.207(3) 1.216(3)
N(1)–C(1) 1.313(4) 1.321(3) 1.321(3)
N(1)–C(3) 1.353(5) 1.371(3) 1.356(3)
N(1)–C(4) 1.454(4) 1.457(3) 1.453(3)
N(2)–C(1) 1.314(4) 1.324(3) 1.315(3)
N(2)–C(2) 1.361(5) 1.370(3) 1.371(4)
N(2)–C(22) 1.476(4) 1.469(3) 1.484(4)
C(1)–H(1) 0.9300 0.9300 0.9300
C(4)–C(5) 1.524(5) 1.514(4) 1.517(3)
C(5)–C(6) 1.478(4) 1.488(3) 1.472(3)
C(22)–C(23)   1.484(6) 1.464(5)
C(22)–C(24)   1.226(6) 1.488(5)
P(1)–F(1)     1.5799(16)
P(1)–F(2)     1.5968(16)
P(1)–F(3)     1.582(2)
P(1)–F(4)     1.5694(19)
P(1)–F(5)     1.575(2)
P(1)–F(6)     1.5671(19)
Bond Angles (°)
C(1)–N(1)–C(3) 108.2(3) 108.4(2) 107.8(2)
C(1)–N(1)–C(4) 127.0(3) 126.0(2) 125.26(19)
C(3)–N(1)–C(4) 124.6(3) 125.5(2) 126.9(2)
C(1)–N(2)–C(2) 107.7(3) 108.5(2) 107.1(2)
C(1)–N(2)–C(22) 125.6(4) 126.2(2) 127.5(2)
C(2)–N(2)–C(22) 126.6(4) 125.2(2) 124.8(2)
N(1)–C(1)–N(2) 109.0(3) 108.5(2) 109.7(2)
N(1)–C(1)–H(1) 125.5 125.7 125.1
N(2)–C(1)–H(1) 125.5 125.7 125.1
N(1)–C(4)–C(5) 111.0(3) 112.9(2) 112.80(19)
O(1)–C(5)–C(4) 116.8(3) 119.5(2) 117.9(2)
O(1)–C(5)–C(6) 125.5(3) 124.6(2) 125.1(2)
C(6)–C(5)–C(4) 117.6(3) 115.8(2) 116.99(19)
C(24)–C(23)–C(22)   130.5(4) 114.3(4)