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. Author manuscript; available in PMC: 2013 Oct 17.
Published in final edited form as: J Am Chem Soc. 2012 Oct 8;134(41):17125–17137. doi: 10.1021/ja306526d

Table 1.

Selected Bond Distances (Å) and Angles (deg) for (iPrPDI)Fe(biphenyl) and (MePDI)Fe(biphenyl)

(iPrPDI)Fe(biphenyl) (MePDI)Fe(biphenyl)
Fe(1)–N(1) 1.959(2) 1.9402(18)
Fe(1)–N(2) 1.852(2) 1.8569(16)
Fe(1)–N(3) 1.988(2) 1.9503(18)
Fe(1)–Cbasal 1.965(3) 1.9656(19)
Fe(1)–Capical 1.943(3) 1.9436(19)
N(1)–C(2) 1.315(4) 1.318(2)
N(3)–C(8) 1.317(4) 1.320(2)
C(2)–C(3) 1.438(4) 1.452(3)
C(7)–C(8) 1.433(4) 1.447(3)
N(1)–Fe(1)–N(2) 79.41(9) 79.80(7)
N(1)–Fe(1)–N(3) 154.78(9) 157.38(7)
N(1)–Fe(1)–Cbasal 99.76(10) 103.06(7)
N(1)–Fe(1)–Capical 99.70(11) 93.75(7)
N(2)–Fe(1)–N(3) 79.46(10) 80.11(7)
N(2)–Fe(1)–Cbasal 175.09(12) 175.93(8)
N(2)–Fe(1)–Capical 92.47(12) 92.47(7)
N(3)–Fe(1)–Cbasal 104.21(10) 97.57(7)
N(3)–Fe(1)–Capical 94.81(11) 97.39(7)