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首页> 外文期刊>IUCrData >(4′-Phenyl-2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)bis-(thio-cyanato-κN)zinc(II) unknown solvate
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(4′-Phenyl-2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)bis-(thio-cyanato-κN)zinc(II) unknown solvate

机译:(4'-苯基-2,2':6',2''-叔吡啶-κ3N,N',N'')双-(硫代氰基-κN)锌(II)未知溶剂化物

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摘要

The title compound, [Zn(NCS)2(C21H15N3)], crystallizes with three independent complex molecules in the asymmetric unit. In each complex molecule, the ZnII atom is coordinated by three N atoms of a 40 -phenyl-2,20 :60 ,200-terpyridine ligand, and by the N atoms of two NCS anions. The ZnII atoms are therefore fivecoordinate, ZnN5, with distorted square-pyramidal geometries. In the crystal, the three independent molecules are linked by a series of offset – interactions [intercentroid distances vary between 3.680 (5) and 3.791 (5) A? ], forming columns along the a-axis direction. The columns are linked via C—HS interactions, forming a fence-like arrangement parallel to the ab plane. A small region of disordered electron density was corrected for using the SQUEEZE routine in PLATON [Spek (2015). Acta Cryst. C71, 9–18], but the formula mass and unit-cell characteristics were not taken into account during the refinement.
机译:标题化合物[Zn(NCS)2(C21H15N3)]在不对称单元中与三个独立的复杂分子一起结晶。在每个复合分子中,ZnII原子由40-苯基-2,20:60,200-吡啶吡啶配体的三个N原子和两个NCS阴离子的N原子配位。因此,ZnII原子是五坐标的ZnN5,具有方形棱锥的几何形状。在晶体中,三个独立的分子通过一系列的偏移作用相互连接[质心间距离在3.680(5)和3.791(5)之间变化。 ],沿a轴方向形成列。这些列通过C-HS相互作用链接,形成平行于ab平面的围栏状排列。使用PLATON中的SQUEEZE程序对一小部分无序电子密度进行了校正[Spek(2015)。 Acta Cryst。 C71,9-18],但在精炼过程中未考虑配方质量和单位晶格特征。

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