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. 2011 Nov 17;12(1):362–368. doi: 10.1021/cg201170w

Table 2. The XB and Other Relevant Interaction Distances (Å) and Angles (o) for 1a, 1b, 2a, 2b, 2c, and 3a.

  1a 1b 2a 2b 2c 3a
Pd1–C1/Å 2.020(4) 2.016(7) 2.022(8) 2.031(5) 2.020(6) 2.036(6)
Pd1–P1/Å 2.316(1) 2.308(2) 2.325(2) 2.325(1) 2.312(1) 2.319(2)
Pd1–P2/Å 2.311(1) 2.308(2) 2.318(2) 2.325(1) 2.312(1) 2.322(2)
Pd1–X1/Å 2.446(1) 2.414(2) 2.553(1) 2.540(1) 2.553(1) 2.722(1)
X1···I/Å 2.812(1) 3.228(2) 2.913(1) 3.357(1) 3.269(1) 3.193(1)
    3.229(2)   3.357(1) 3.269(1)  
I1–I2/I2–I3/Å 2.748(1)   2.763(1)     2.774(1)
Pd1–X1–X2/° 124.26(4) 143.34(7) 122.37(3) 139.54(1) 129.23(1) 111.27(2)
    131.05(7)   139.54(1) 129.23(1)  
I–X–I/°   85.17(4)   80.91(1) 101.55(2)  
X3–X2–X1/° 177.06(2) 174.9(2) 75.84(3) 170.0(1) 179.4(2) 179.10(2)
    163.1(2)   170.0(1) 179.4(2)  
rsvdW/% 24.6 13.5 23.9 12.3 14.6 19.4