Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/94309
Title: Molecular structure of chloro meso-tetra(3,4,5-trimethoxyphenyl)porphyrinato iron(III) - a model compound of cytochrome P-450 active site
Authors: Ji, L.N.
Liu, M.
Huang, S.H.
Hu, G.Z.
Zhou, Z.Y.
Koh, L.L. 
Hsieh, A.K. 
Issue Date: 1-Aug-1990
Source: Ji, L.N.,Liu, M.,Huang, S.H.,Hu, G.Z.,Zhou, Z.Y.,Koh, L.L.,Hsieh, A.K. (1990-08-01). Molecular structure of chloro meso-tetra(3,4,5-trimethoxyphenyl)porphyrinato iron(III) - a model compound of cytochrome P-450 active site. Inorganica Chimica Acta 174 (1) : 21-25. ScholarBank@NUS Repository.
Abstract: A model compound of cytochrome P-450 active site, FeTTOMPPCl·CH3OH, has been synthesized. Its crystal and molecular structure have been determined by single crystal X-ray diffraction technique. The crystal is monoclinic, space group Cm, with a = 16.3903(32), b = 26.9037(45), c = 14.9382(29) Å, β = 147.783(9), V = 3512.48(1.16) Å3, Z = 2, Dc = 1.14 g cm-3, μ = 45.1 cm-1, F(000) = 1351.78. The structure was solved by the heavy-atom method and refined by block diagonal and full matrix least- squares procedures to a final R of 0.1087 for the 1157 independent reflections. The molecular formula as determined by elemental analysis and confirmed by the crystal structure is FeC56H52N4O12Cl·CH 3OH. The stereochemistry of the compound and the mechanism of its reaction with O2 were discussed. © 1990.
Source Title: Inorganica Chimica Acta
URI: http://scholarbank.nus.edu.sg/handle/10635/94309
ISSN: 00201693
Appears in Collections:Staff Publications

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