Tao Jian-Qing, Mao Dan, Wang Jun
Department of Chemistry, Yancheng Teachers' College, Yancheng 224002, People's Republic of China.
Acta Crystallogr C. 2013 Jun;69(Pt 6):597-600. doi: 10.1107/S0108270113011153. Epub 2013 May 15.
In the title mixed-ligand metal-organic polymeric complex, {[Co(NCS)2(C8H12N6)2]·2H2O}n, the asymmetric unit contains a divalent Co(II) cation, which sits on an inversion centre, two halves of two crystallographically distinct and centrosymmetric 1,4-bis(1,2,4-triazol-1-yl)butane (BTB) ligands, one N-bound thiocyanate ligand and one solvent water molecule. The Co(II) atom possesses a distorted {CoN6} octahedral geometry, with the equatorial positions taken up by triazole N atoms from four different BTB ligands. The axial positions are filled by thiocyanate N atoms. In the crystal, each Co(II) atom is linked covalently to four others through the distal donors of the tethering BTB ligands, forming a neutral (4,4)-topology two-dimensional rhomboid grid layer motif, which is coincident with the (121) crystal planes. Magnetic investigations show that weak antiferromagnetic coupling exists between Co(II) atoms in the complex.
在标题为混合配体金属有机聚合物配合物{[Co(NCS)₂(C₈H₁₂N₆)₂]·2H₂O}ₙ中,不对称单元包含一个位于对称中心的二价Co(II)阳离子、两个晶体学上不同且中心对称的1,4 - 双(1,2,4 - 三唑 - 1 - 基)丁烷(BTB)配体的两半、一个N配位的硫氰酸根配体和一个溶剂水分子。Co(II)原子具有扭曲的{CoN₆}八面体几何构型,赤道位置由来自四个不同BTB配体的三唑N原子占据。轴向位置由硫氰酸根N原子填充。在晶体中,每个Co(II)原子通过连接性BTB配体的远端供体与另外四个Co(II)原子共价连接,形成一个中性的(4,4)拓扑二维菱形网格层 motif,与(121)晶面重合。磁性研究表明该配合物中Co(II)原子之间存在弱反铁磁耦合。