Molecular structure of an Fe(IV) species:.
The molecular structure of the formal iron(IV) porphyrinate derivative, [[Fe(TTP)]2N]SbCl6 (TTP = tetratolylporphyrinate), is reported. The structural parameters are compared to the previously reported species [Fe(TPP)]2N, in which the iron oxidation state is +3.5. Both the equatorial and axial bond distances in [[Fe(TTP)]2N]SbCl6 are slightly shortened and consistent with an increased formal charge on iron. The value for the axial Fe-N distance is 1.6280(7) A, and the average value of the equatorial Fe-Np distances is 1.979(5) A. The Mössbauer isomer shift decreases upon oxidation, again consistent with an increase in formal charge. Values for the isomer shift at room temperature are -0.13 mm/s for [[Fe(TTP)]2N]SbCl6 and 0.04 mm/s for [Fe(TTP)]2N. Crystal data for [[Fe(TTP)]2N]SbCl6 are as follows: orthorhombic, space group Fddd, Z = 8, a = 23.689(2) A, b = 31.056(3) A, c = 22.7788(18) A.
The Department of Chemistry and Biochemistry, University of Notre Dame, Indiana 46556, USA.
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D018360:Crystallography, X-Ray; D006420:Hemeproteins / Q000737:chemistry*; D007501:Iron / Q000737:chemistry* / Q000378:metabolism; D008024:Ligands; D008665:Metalloporphyrins / Q000737:chemistry* / Q000494:pharmacology / Q000627:therapeutic use; D015394:Molecular Structure; D010084:Oxidation-Reduction
C422424:((iron(tetratolylporphyrinate)2)N)antimonate; D006420:Hemeproteins; D008024:Ligands; D008665:Metalloporphyrins; D007501:Iron