IUCrData (Jan 2019)

Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate

  • Jianfeng Li,
  • Allen G. Oliver,
  • W. Robert Scheidt

DOI
https://doi.org/10.1107/S2414314619000154
Journal volume & issue
Vol. 4, no. 1
p. x190015

Abstract

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The title complex, [Fe(C64H64N8O4)(C9H8N2)2](CF3O3S)·2C6H5Cl, has an unusual relative orientation of the two planar axial ligands [dihedral angle between the two imidazole planes = 46.55 (9)°]. The average equatorial Fe—N bond length is 1.974 (3) Å; the axial distances are 1.9628 (19) and 1.9932 (19) Å. The porphyrin core displays modest ruffling. Disorder is modeled for three of the tert-butyl groups of the pickets. In the crystal, a modest π–π interaction exists between adjacent phenyl rings related by an inversion center, and hydrogen bonds connect the trifluoromethanesulfonate oxygen atoms to the amide groups of the picket substituents.

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