Bi Jian-Hong
Deparment of Chemistry and Chemical Engineering, Hefei Teachers College, Hefei 230061, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2009 May 20;65(Pt 6):m668. doi: 10.1107/S1600536809018091.
In the title compound, [Ni(SCN)(C(16)H(32)N(4))]ClO(4)·H(2)O, the Ni(II) ion is coordinated by the four N atoms of the tetra-azacyclo-tetra-deca-4,11-diene macrocyclic ligand and by the S atom of a thio-cyanate anion. The perchlorate anion is rotationally disordered around one Cl-O bond between two orientations; the occupancies refined to 0.61 (4) and 0.39 (4). Inter-molecular O-H⋯N, N-H⋯O and N-H⋯N hydrogen bonds link two cations, two anions and two solvent water mol-ecules into a centrosymmetric cluster. The crystal packing is further stabilized by weak inter-molecular C-H⋯O hydrogen bonds.
在标题化合物[Ni(SCN)(C₁₆H₃₂N₄)]ClO₄·H₂O中，Ni(II)离子由四氮杂环十四碳-4,11-二烯大环配体的四个N原子和一个硫氰酸根阴离子的S原子配位。高氯酸根阴离子围绕一个Cl - O键在两个取向之间旋转无序；占有率精修为0.61(4)和0.39(4)。分子间的O - H⋯N、N - H⋯O和N - H⋯N氢键将两个阳离子、两个阴离子和两个溶剂水分子连接成一个中心对称的簇。晶体堆积通过弱的分子间C - H⋯O氢键进一步稳定。
