Moon Dohyun, Choi Jong-Ha
Pohang Accelerator Laboratory, POSTECH, Pohang 790-784, Republic of Korea.
Department of Chemistry, Andong National University, Andong 760-749, Republic of Korea.
Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):100-3. doi: 10.1107/S2056989014027479.
The structure of the title compound, [Cr(NCS)2(C2H8N2)2]2[ZnCl4], has been determined from synchrotron data. In the asymmetric unit, there are four independent halves of the Cr(III) complex cations, each of which lies on an inversion centre, and one tetra-chlorido-zincate anion in a general position. The Cr(III) atoms are coordinated by the four N atoms of two ethane-1,2-di-amine (en) ligands in the equatorial plane and two N-bound NCS(-) anions in a trans arrangement, displaying a slightly distorted octa-hedral geometry with crystallographic inversion symmetry. The Cr-N(en) and Cr-N(NCS) bond lengths range from 2.0653 (10) to 2.0837 (10) Å and from 1.9811 (10) to 1.9890 (10) Å, respectively. The five-membered metalla-rings are in stable gauche conformations. The ZnCl4 anion has a distorted tetra-hedral geometry. The crystal structure is stabilized by inter-molecular hydrogen bonds involving the en NH2 or CH2 groups as donors and chloride ligands of the anion and S atoms of NCS(-) ligands as acceptors.
标题化合物[Cr(NCS)₂(C₂H₈N₂)₂]₂[ZnCl₄]的结构已通过同步辐射数据确定。在不对称单元中，有四个独立的Cr(III)配合物阳离子的半体，每个半体位于一个对称中心上，还有一个处于一般位置的四氯锌酸根阴离子。Cr(III)原子在赤道平面上由两个乙烷-1,2-二胺（en）配体的四个N原子以及两个呈反式排列的与N相连的NCS⁻阴离子配位，呈现出具有晶体学反演对称性的略微扭曲的八面体几何构型。Cr-N(en)键长范围为2.0653 (10)至2.0837 (10) Å，Cr-N(NCS)键长范围为1.9811 (10)至1.9890 (10) Å。五元金属环呈稳定的 gauche 构象。[ZnCl₄]²⁻阴离子具有扭曲的四面体几何构型。晶体结构通过分子间氢键得以稳定，其中en的NH₂或CH₂基团作为供体，阴离子的氯配体以及NCS⁻配体的S原子作为受体。
