Inorganic Chemistry, Vol.36, No.21, 4866-4874, 1997
Structural and solution characterization of mononuclear vanadium(IV) complexes that help to elucidate the active site structure of the reduced vanadium haloperoxidases
The complexes [VO(H2O)ada] (1), [VO(H2O)Hheida] (2), and [VO(H2O)aeida] (3) (H(2)ada, N-(carbamoylmethyl)-iminodiacetic acid; H(3)Heida, N-(2-hydroxyethyl)iminodiacetic acid; H(2)aeida, N-(2-aminoethyl)iminodiacetic acid) were synthesized and crystallographically characterized. Crystallographic parameters for 1.2H(2)O: monoclin, space group P2(1)/c(No. 14), a=7.327(2) Angstrom, b=23.386(7) Angstrom, c=7.258(3) Angstrom, alpha=90 degrees, beta=110.95(2)degrees, gamma=90 degrees, V=1204.6(7) Angstrom(3), Z=4, R1=0.0353, and wR(2)=0.0848. Crystallographic parameters for 2 . H2O; orthrohombic, space group Pbca (No. 61), a=10.512(2) Angstrom, b=11.727(2) Angstrom, c=16.719(5) Angstrom, alpha=90