(18-crown-6)potassium tris(thiocyanato)nickelate(II) | 1159195-14-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (18-crown-6)potassium tris(thiocyanato)nickelate(II)
• CAS: 1159195-14-8
• 化学式: C₁₅H₂₄KN₃NiO₆S₃
• 分子量: 536.358
• InChiKey: YYWYZVDSOBHIPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  potassium thioacyanate 、 18-冠醚-6 、 nickel(II) thiocyanate 以 乙醇 、 水 为溶剂， 生成 (18-crown-6)potassium tris(thiocyanato)nickelate(II)
  参考文献：
  名称：

  (18-crown-6)potassium tris(thiocyanato)nickelate(II): Synthesis and crystal structure

  摘要：

  A new crystalline complex, (18-crown-6)potassium tris(thiocyanato)nickelate(II), [Ni(SCN)(3)K(18-crown-6)](n) (I) was synthesized and studied by X-ray diffraction: space group Cmc2(1), a = 14.749, b = 15.045, c = 10.216 angstrom, Z = 4, direct method, least-squares full-matrix refinement in anisotropic approximation to R = 0.022 on 2214 independent reflection, CAD-4 automated diffractometer, lambda MoK alpha. In crystal structure I, the [Ni(SCN)(3)](n)(-) chains are directed along the axis z with the host-guest [K(18-crown-6)](+) fragments attached through the weak K-S bonds to the chains at the side. The complex cations and anions lie in crystallographic plane m. The Ni2+ cation has a distorted octahedral coordination. The coordination polyhedron of the K+ cation is a distorted hexagonal pyramid with six O atoms of the 18-crown-6 ligand in the base and bifurcate axial vertex at the S and S' atoms of two SCN- ligands.

  DOI：

  10.1134/s1070328408060079