Received 2 August 2013
The title compound, [Fe(C6HF4O)(C48H36N4O4)]·C6H12, represents a five-coordinate iron(III) porphyrin complex in a square-pyramidal geometry with a tetrafluorophenolate anion as the axial ligand. The FeIII atom is displaced by 0.364 (2) Å from the 24-atom mean plane of the porphyrinate ring towards the tetrafluoro phenolate anion. The average Fe-N distance is 2.053 (2) Å and the Fe-O distance is 1.883 (2) Å. A porphyrin aryl H atom points in the general direction of the phenoxide ring. The mean plane separation between the 24-atom porphyrin planes of two adjacent porphyrin rings is 3.7 Å, and the lateral shift is 3.5 Å resu, ting in an FeFe separation of 5.6167 (14) Å.
For the function and structure of catalase, see: Nicholls et al. (2001). For the structures of other related ferric pheno porphyrin derivatives, see: Chaudhary et al. (2010); Ueyama et al. (1998); Kanamori et al. (2005). For the typical geometry parameters for high-spin ferric porphyrin complexes, see: Scheidt & Reed (1981). For the synthesis of [(T(p-OMe)PP)Fe]2O, see: Helms et al. (1986).
Data collection: SMART (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXL2013 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2013; molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL2013.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NG5339 ).
The authors wish to thank the National Science Foundation (grant CHE-1213674) and the University of Oklahoma for funds to support this research and to acquire the diffractometer and computers used in this work.
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