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. Author manuscript; available in PMC: 2011 Jan 1.
Published in final edited form as: J Porphyr Phthalocyanines. 2010 Jan 1;14(1):115–122. doi: 10.1142/S1088424610001714

Table 3.

Summary of inter-ring geometries for [Fe(TalkylP)(Cl)] complexes.a

Complex Fe⋯Fe Ct⋯Ctb M.P.S.c L.S.d Group Δe
[Fe(TEtP)(Cl)] 5.56 5.04 3.34 3.79 I 0.48
[Fe(TPrP)(Cl)] 6.44 5.64 3.66 4.29 W 0.57
[Fe(THexP)(Cl)] 6.36 5.77 3.64 4.48 W 0.55
a

Values in Å.

b

Ct is the center of the 24-atom porphyrin ring.

c

The average mean plane separation for the two 24-atom cores of the dimer.

d

The lateral shift between the two 24-atom cores of the dimer.

e

The out-of-plane displacement relative to the 24-atom mean plane.