Reinert Thorben, Boeckmann Jan, Jess Inke, Näther Christian
Institut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Max-Eyth-Str. 2, 24098 Kiel, Germany.
Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 24;66(Pt 8):m1018-9. doi: 10.1107/S1600536810029107.
In the crystal structure of the title compound, Zn(3)(NCSe)(4)(OH)(CN)(C(4)H(4)N(2))(4) one of the two crystallograph-ically independent zinc(II) cations is coordinated by two terminal N-bonded seleno-cyanato anions and two N atoms of two symmetry-related pyridazine ligands in a trigonal-bipyramidal geometry, while the other zinc(II) cation is coordinated by one terminal N-bonded seleno-cyanato anion, one μ-1,2-cyanido anion and three N atoms of three crystallographically independent pyridazine ligands in a slightly distorted octa-hedral coordination geometry. The zinc(II) atoms are further connected via a μ(3)-hydroxido anion into trinuclear building blocks. The formula unit consists of three zinc cations, four seleno-cyanato anions, one μ(3)-hydroxido anion, four pyridazine mol-ecules as well as one cyanido anion. The asymmetric unit contains half of a formula unit. One of the zinc atoms, two seleno-cyanato anions, two pyridazine ligands and the μ(3)-hydroxido anion are located on a crystallographic mirror plane, whereas the cyanido anion is located on a twofold rotation axis. Therefore, this anion is disordered due to symmetry. The cyanido anions connect the metal centres into polymeric zigzag chains propagating along the a axis.
在标题化合物[Zn₃(NCSe)₄(OH)(CN)(C₄H₄N₂)₄]ₙ的晶体结构中，两个晶体学独立的锌(II)阳离子中的一个，由两个末端N键合的硒氰酸根阴离子和两个对称相关哒嗪配体的N原子以三角双锥几何构型配位，而另一个锌(II)阳离子由一个末端N键合的硒氰酸根阴离子、一个μ-1,2-氰基阴离子和三个晶体学独立哒嗪配体的N原子以稍有畸变的八面体配位几何构型配位。锌(II)原子通过一个μ₃-羟基阴离子进一步连接成三核结构单元。化学式单元由三个锌阳离子、四个硒氰酸根阴离子、一个μ₃-羟基阴离子、四个哒嗪分子以及一个氰基阴离子组成。不对称单元包含半个化学式单元。其中一个锌原子、两个硒氰酸根阴离子、两个哒嗪配体和μ₃-羟基阴离子位于一个晶体学镜面平面上，而氰基阴离子位于一个二重旋转轴上。因此，该阴离子由于对称性而无序。氰基阴离子将金属中心连接成沿a轴延伸的聚合之字形链。
