A Reinvestigation of the Structure of Bischlorine - bis[2 - methoxyl -6 - (2' - hydroxyethyl Imidogen Methyl)phenol] Cadmium(II) Complex

Abstract

标题化合物的晶体结构曾用单斜晶系的空间群Cc描述.我们再研究确定其空间群应为正交晶系的Fdd2.修正涉及晶体的晶系、晶类和布拉维格子类型的改变,但仍属可呈现非线性光学活性的非心对称空间群.给出了在空间群Fdd2时的非氢原子坐标和主要键长和键角值.The crystal structure of the title complex previously described as monoclinic, space group Cc is corrected to be orthorhombic, space group Fdd2 with cell parameters a = 1,1661 (2)nm, b - 3.0956(10)nm, c = 1.5475(3)nm, V=5.586(2)nm3, Z = 8. Corrections involve changing its crystal system and class as well as the lattice type, but the structure still belongs to one of the non - centrosymmetric space groups, which is necessary for the potential non - linear optical materials. Average atomic coordinates and selected bond lengths and angles are given.山东省自然科学基金(Y96B10029);; 山东大学晶体材料国家重点实验室资助课

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