Molecular stereochemistry of [FeIII(TPP)(OCOCF3)].
(meso-Tetraphenylporphinato)(trifluoroacetato)iron(III), [Fe(C2F3O2)(C44H28N4)], consists of a central Fe atom equatorially coordinated to four pyrrole N atoms and axially coordinated th an O atom of the trifluoroacetate group. The average Fe--N bond distance is 2.054(5)A and the Fe atom is displaced 0.483 (1) A from the porphinato plane. The Fe--O distance is 1.921 (4) A. The out-of-plane displacement and the Fe--N bond lengths indicate that the Fe atom is in a high-spin state.
Department of Chemistry, Rice University, Houston, Texas 77251, USA.
S A
SA
Moy
J A
JA
González
L J
LJ
Wilson
D018360:Crystallography, X-Ray; D008665:Metalloporphyrins / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry*; D013237:Stereoisomerism
C097370:(tetraphenylporphinato)(trifluoroacetato)iron(III); D008665:Metalloporphyrins; D009942:Organometallic Compounds