亜硝酸還元酵素活性中心モデル錯体の構造化学（3）－CubpaPheEtR（R=H2O, NO2）錯体のＸ線結晶構造解析

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The crystal structure of the model complexes for the active center in nitrite reductase, Cu(II)(bis(2-pyridylmethyl)amine)PhEtR (complex 1; R=H2O, complex 2; R=NO2), have been determined by X-ray diffraction method at －160 degrees centigrade. The complex 1 has an H2O and two ClO4－ions in the crystal structure. The molecular structure of the complex 1 gives the original structure of this series of complexes before NO2 coordination to the copper atom. The Cu-O1(H2O) bond distance is 1.970(6)Å, which is the normal coordination bond distance of Cu－O. The complex 2 gives the 6-coordination copper atom with three sites occupied by bpa ligand, two by NO2－ ion, and one by ClO4－ ion. Even though both oxygen atoms in nitrite ion are bonding to copper atom, the bond distances are quite different, Cu－O1 = 1.962(2) and Cu－O2 = 2.544(3)Å. Based on these distances, the nitrite ion is resulted to take an asymmetrical chelate coordination with distinct bond distances.
2010-06-30