《Table 3 Hydrogen Bond Lengths () and Bond Angles ($)》

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《"[Zn(Pybox)Br_2]配合物的合成,晶体结构及催化性质研究（英文）"》

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*Symmetry codes:（a）–x，1.5+y，4.5-z；（b）x，1.5-y，2.5+z

The molecular structure ofcomplex 1 was determined by X-ray crystallographic studies.As shown in Figure 1，the pincer ligand coordinated to zinc（II）with three nitrogen atom.The coordination sphere around the Zn（II）atom is best described as midway between trigonal bipyramidal and square pyramidal in structure.The Zn-N distances（2.230 （5），2.138（4）and 2.303（5）） in 1，which are compatible with a typical single bond length compare to the corresponding ligand precursor with Zn Cl2.The Zn-Br distances（2.3572 （10）and 2.3729（10）） in 1，which are longer than that of in（Dm-Pybox）Zn Cl2[13].As seen in Figure 2，there are three kind of intermolecular hydrogen bond between the C atom of pincer ligand and bromide which play a important role for the formation of 3D structure in solid states（Table 3）.