Zhang Xin-Yan
Li Shui Vocational & Technical College, Lishui, Zhejiang 323000, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 8;65(Pt 5):m497. doi: 10.1107/S1600536809012628.
The two independent Ni(II) ions in the one-dimensional title complex, Ni(2)(C(7)H(3)NO(4))(2)(C(12)H(8)N(4)S)(H(2)O)(2) or Ni(2)(pydc)(2)(bpt)(H(2)O)(2) (H(2)pydc = pyridine-2,6-dicarboxylic acid and bpt = 2,5-di-4-pyrid-yl-1,3,4-thia-diazole), have different coordination environments. One Ni(II) ion is in a slightly-distorted octa-hedral coordination environment formed by three O atoms from two adjacent pydc ligands, two N atoms from bpt and pydc ligands, and one water mol-ecule, while the other Ni(II) ion is in distorted square-pyramidal geometry, coordinated by two O atoms from two carboxyl-ate groups and two N atoms from the pyridine rings of the pydc and bpt ligands in the basal plane, while a coordinated water mol-ecule occupies the apical site. In the crystal structure, the H atoms of both water mol-ecules are involved in inter-molecular hydrogen bonds with the O atoms of uncoordinated carboxyl-ate groups, which link chains into a three-dimensional network.
在一维标题配合物[Ni₂(C₇H₃NO₄)₂(C₁₂H₈N₄S)(H₂O)₂]ₙ 或 [Ni₂(pydc)₂(bpt)(H₂O)₂]ₙ（H₂pydc = 吡啶 - 2,6 - 二羧酸，bpt = 2,5 - 二 - 4 - 吡啶基 - 1,3,4 - 噻二唑）中，两个独立的Ni(II)离子具有不同的配位环境。一个Ni(II)离子处于由两个相邻pydc配体的三个O原子、bpt和pydc配体的两个N原子以及一个水分子形成的稍有畸变的八面体配位环境中，而另一个Ni(II)离子处于畸变的四方锥几何构型中，在基面由两个羧酸根基团的两个O原子以及pydc和bpt配体吡啶环的两个N原子配位，同时一个配位水分子占据顶点位置。在晶体结构中，两个水分子的H原子都参与了与未配位羧酸根基团的O原子形成的分子间氢键，这些氢键将链连接成三维网络。
