Tetraphenylporphinato-iron III methoxide

A recent detailed X-ray diffraction study of the experimental electron density distribution in Fe(TTP)OCH3 has allowed the evaluation of the electron occupancies of the five 3d orbitals of the iron(III) ion (Lecomte, Chadwick, Coppens Stevens, 1983). A multipole population analysis gave the results presented in Table 3.11 and indicated a net charge of +2.5(2) on the iron ion, in good agreement with the expected oxidation 

Orbital or EFG Spherical atom occupancy Experimental occupancy 

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