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. 2015 Aug 26;71(Pt 9):1073–1076. doi: 10.1107/S2056989015015340

Table 1. Geometric parameters (, ) for the macrocyclic cavity in Fe2+ and Fe3+ macrocyclesa .

Parameter Fe3+Me2 Lb Fe2+Me2 Lc Fe3+H2 L dimerd
FeN1 2.195(5) 2.2574(13) 2.151
FeN2 2.229(5) 2.2866(14) 2.155
FeN3 2.220(5) 2.2634(13) 2.234
FeN4 2.190(5) 2.2748(13) 2.245
N2axFeN4ax 166.8(3) 161.88(5) 161.6
N1eqFeN3eq 79.8(3) 78.36(5) 78.9

Notes: (a) where there are two independent molecules in the asymmetric unit, a mean value is given; (b) this work; (c) Hubin et al. (2000); (d) Hubin et al. (2003).