Varelas Georgios, Salifoglou Athanasios, Psycharis Vassilis
Institute of Advanced Materials, Physicochemical Processes, Nanotechnology and Microsystems, Department of Materials Science, National Centre for Scientific Research Demokritos, Athens 15310, Greece.
Acta Crystallogr C. 2013 Aug;69(Pt 8):868-71. doi: 10.1107/S0108270113018386. Epub 2013 Jul 20.
The structure of the title centrosymmetric compound, [Zn(C₉H₆NO)₂(H₂O)₂], has already been solved three times [Merritt, Cady & Mundy (1954). Acta Cryst. 7, 473-476; Palenik (1964). Acta Cryst. 17, 696-700; Chen, Zhang, Shi, Huang, Liang & Zhou (2003). Acta Cryst. E59, m814-m815]. The authors of the two most recent papers state that they attained lower R1 values than that obtained in the 1954 paper, but they do not mention that Merritt et al. had derived the structural model from a twinned crystal. Also, from a structural point of view, there are strong indications that the most recent report is in fact the isostructural CuII complex already reported by Okabe & Saishu [Acta Cryst. (2001), E57, m251-m252] and not the ZnII complex. The structure of the title compound is reported here based on data obtained from a twinned crystal.
标题为[Zn(C₉H₆NO)₂(H₂O)₂]的中心对称化合物的结构已经被解析过三次[梅里特、卡迪和芒迪（1954年）。《晶体学报》7卷，473 - 476页；帕莱尼克（1964年）。《晶体学报》17卷，696 - 700页；陈、张、石、黄、梁和周（2003年）。《晶体学报》E59卷，m814 - m815页]。最近两篇论文的作者称他们得到的R1值比1954年那篇论文中的更低，但他们没有提及梅里特等人是从一个孪晶中推导得到结构模型的。此外，从结构角度来看，有强烈迹象表明最近的报道实际上是冈部和西树已经报道过的同构CuII配合物[《晶体学报》（2001年），E57卷，m251 - m252页]，而不是ZnII配合物。本文基于从一个孪晶获得的数据报道了标题化合物的结构。
