[Cu(tet a)(NCS)_2]的合成和晶体结构

[Cu(tet a)(NCS)_2]Preparation and Crystal Structure Determination

单晶X-射线结构分析测得,标题化合物的分子式为C18H36N6S2Cu.在这个配合物中,围绕着Cu(II)原子有两种无序的配位几何,较小的组分占整个结构的43.7(9)%,该组分是中心对称的,其中心是四个氮组成的四方形,四方形的中心是与四个氮原子在同一个平面上的铜原子.较大的组分占整个晶体的56.3(9)%,是一个中心对称拉长的八面体.

The X-ray single-crystal structure determination of the title comp ound with the chemical formula C18H36N6S2Cu reveals that there are two kinds of disordered coordination geometry about the copper. The minor conformer, whose oc cupancy is 0.437(9),is a centrosymmetric square plane with four nitrogen atoms f rom (tet a) forming the coordination plane. The major conformer, whose occupancy is 0.563(9), is a centrosymmetric elongated octahedron with four nitrogen atoms from (tet a) forming the equatorial plane and two nitrogen atom from thiocyanat es situated at the axial positions forming a trans confirmation.