Fu Gui-Hong
Liaohe Institute of Petroleum Technology, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 15;67(Pt 1):m73. doi: 10.1107/S1600536810051433.
In the crystal structure of the title compound, Zn(4)(C(8)H(4)O(4))(4)(C(8)H(12)N(6))(H(2)O)(4), one Zn(II) atom is four-coordinated in a slightly distorted tetra-hedral geometry by two O atoms from benzene-1,3-dicarboxyl-ate (BDC) ligands, one N atom from a 1,4-bis-(1,2,4-triazol-1-yl)butane (BTB) ligand and one water mol-ecule, while a second Zn(II) atom is five-coordinated in a distorted square-pyramidal geometry bridged by four O atoms from BDC ligands and one water mol-ecule. The Zn(II) atoms are connected by the benzene-1,3-dicarboxyl-ate anions and the nitro-gen ligand into layers parallel to the ac plane. The asymmetric unit consits of two crystallographically independent Zn(II) cations, two BDC anions and two water mol-ecules in general positions, as well as one-half of the BTB ligand that is completed by inversion symmetry.
在标题化合物[Zn₄(C₈H₄O₄)₄(C₈H₁₂N₆)(H₂O)₄]ₙ的晶体结构中,一个Zn(II)原子由来自苯-1,3-二羧酸酯(BDC)配体的两个O原子、来自1,4-双(1,2,4-三唑-1-基)丁烷(BTB)配体的一个N原子和一个水分子以稍微扭曲的四面体几何构型进行四配位,而另一个Zn(II)原子由来自BDC配体的四个O原子和一个水分子以扭曲的四方锥几何构型进行五配位。Zn(II)原子通过苯-1,3-二羧酸根阴离子和氮配体连接成平行于ac平面的层。不对称单元通常由两个晶体学独立的Zn(II)阳离子、两个BDC阴离子和两个水分子组成,以及通过反演对称性完成的一半BTB配体。