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. 2020 Dec 8;5(50):32515–32529. doi: 10.1021/acsomega.0c04706

Table 7. Selected Bond Lengths [Å] and Bond Angles [deg] for Compounds C1 and C3a.

C1 C3
Pd(1)–C(1)#2 1.997(3) Pd(1)–C(1) 1.964(8)
Pd(1)–C(1) 1.997(3) Pd(1)–Br(1) 2.4659(11)
Pd(1)–Br(1) 2.4906(4) Pd(2)–C(17) 1.985(8)
Pd(1)–Br(1)#2 2.4906(4) Pd(2)–Br(2) 2.4704(11)
C(1)–N(2) 1.344(4) N(1)–C(1) 1.352(10)
C(1)–N(1) 1.350(4) N(1)–C(9) 1.395(10)
C(2)–N(1) 1.397(4) N(2)–C(1) 1.355(9)
C(7)–N(2) 1.388(4) N(2)–C(14) 1.372(9)
C(8)–N(1) 1.475(4) N(2)–C(15) 1.458(9)
C(11)–N(2) 1.469(4) N(3)–C(17) 1.339(10)
    N(3)–C(25) 1.373(9)
    N(3)–C(18) 1.463(9)
    N(4)–C(17) 1.339(8)
    N(4)–C(30) 1.401(9)
    N(4)–C(31) 1.452(9)
C(1)#2–Pd(1)–C(1) 88.66(17) C(1)–Pd1–C(1)#1 87.4(3)
C(1)#2–Pd(1)–Br(1) 177.48(8) C(1)–Pd(1)–Br(1) 175.0(2)
C(1)–Pd(1)–Br(1) 89.17(8) C(1)#1–Pd(1)–Br(1) 88.5(2)
C(1)#2–Pd(1)–Br(1)#2 89.17(8) Br1–Pd1–Br1#1 95.49(4)
C(1)–Pd(1)–Br(1)#2 177.48(8) C(17)#2–Pd(2)–C(17) 87.7(3)
Br(1)–Pd(1)–Br(1)#2 92.97(2) Br2#2–Pd(2)–Br(2) 97.01(4)
    C(17)–Pd(2)–Br(2) 175.2(2)
    C(17)#2–Pd(2)–Br(2) 87.6(2)
a

Symmetry codes: #1 = x, −y + 3/2, z #2 = x, −y + 1/2, z.