A new μ-oxo di-iron complex with suitable features to mimic metallohydrolase activity: X-ray molecular structure, aqua solution behavior and nuclease activity of the complex [Fe(HPClNOL)(SO4)]2-μ-oxo

Inorganic Chemistry Communications

Volumn 11, Issue 6, 2008, Pages 643-647

  Parrilha, Gabrieli L ^a   Fernandes, Christiane ^a   Bortoluzzi, Adailton J ^b   Szpoganicz, Bruno ^b   Silva, Marlon de S ^b   Pich, Claus Tröger ^b   Terenzi, Hernán ^b   Horn Jr , Adolfo ^a  

^a UNIVERSIDADE ESTADUAL DO NORTE FLUMINENSE DARCY RIBEIRO   (Brazil)

^b FEDERAL UNIVERSITY OF SANTA CATARINA   (Brazil)

Author keywords

Di iron complex; DNA cleavage; Hydrolysis; Nuclease activity; Potentiometric titration

Indexed keywords

EID: 44149096451     PISSN: 13877003     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.inoche.2008.02.019     Document Type: Article

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15. 2 (all data) = 0.2171. Crystallographic data were measured on a CAD-4 diffractometer equipped with graphite-monochrometed Mo Kα radiation (λ = 0.71069 Å) from a selected single crystal. All atoms of the iron complex were refined anisotropically and the H atoms attached to carbon atoms were placed at their idealized positions using standard geometric criteria, whereas H atoms of the alcohol groups were found from the Fourier map and treated with the riding model. Six water molecules were found around the iron complex and were refined isotropically and their H atoms were not located. The squeeze correction was applied to remove the electronic contribution of the highly disordered water moieties. The void of 509.6 Å3 and the electron count of 124 electrons per unit cell, listed by the PLATON program, are consistent with the presence of another two water molecules in the asymmetric unit.
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