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. 2019 Nov 27;9(66):38629–38645. doi: 10.1039/c9ra08736b

Bond lengths [Å] and angles [°] for 2a–2d.

2a 2b 2c 2d
Bond lengths [Å]
Ru1–N1 2.101(8) 2.104(2) 2.109(4) 2.087(6)
Ru1-centroid of p-cymene (CPC) 1.704 1.691 1.683 1.688
Ru1–S1 2.357(3) 2.3260(7) 2.3635(12) 2.369(2)
Ru1–Cl1 2.411(3) 2.4144(7) 2.4393(11) 2.429(2)
S1–C1 1.693(10) 1.686(3) 1.688(4) 1.703(10)
N2–N1 1.385(10) 1.401(3) 1.410(5) 1.404(9)
N2–C1 1.401(12) 1.393(3) 1.368(5) 1.353(11)
N2–C2 1.416(12) 1.397(3) 1.438(5) 1.434(11)
N1–C4 1.333(13) 1.326(3) 1.346(5) 1.326(10)
C1–N3 1.309(12) 1.313(4) 1.312(6) 1.320(11)
C4–C3 1.419(14) 1.416(4) 1.395(6) 1.403(12)
C2–C3 1.351(14) 1.359(4) 1.406(6) 1.375(14)
C2–O1 1.250(5) 1.254(11)
Angles [°]
N1–Ru1–CPC 132.44 135.14 134.08 132.16
N1–Ru1–S1 79.7(2) 80.93(6) 81.72(10) 80.9(2)
S1–Ru1–CPC 127.42 125.21 126.44 126.34
N1–Ru1–Cl1 84.2(2) 81.90(6) 84.55(10) 83.7(2)
Cl1–Ru1–CPC 127.43 128.84 126.46 128.22
S1–Ru1–Cl1 89.50(10) 89.14(8) 87.62(4) 89.64(8)