bis(η2-cyclooctene)(N,N-dimethyldithiocarbamato-S,S')iridium(I) | 344549-73-1

• 英文名称: bis(η2-cyclooctene)(N,N-dimethyldithiocarbamato-S,S')iridium(I)
• CAS: 344549-73-1
• 化学式: C₁₉H₃₄IrNS₂
• 分子量: 532.838
• InChiKey: BEVJZEPOLWLKTM-SUXDNRKISA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  diμ-chlorotetrakis(η2-cyclooctene)diiridium(I) 、 sodium dimethyldithiocarbamate 以 丙酮 为溶剂， 以62%的产率得到bis(η2-cyclooctene)(N,N-dimethyldithiocarbamato-S,S')iridium(I)
  参考文献：
  名称：

  Bis(η²-cyclooctene)(N,N-dimethyldithiocarbamato-S,S′)iridium(I), the first example of a tetracoordinate Ir^Icomplex containing two π-bonded monoolefin ligands

  摘要：

  The title compound consists of [Ir(C3H6NS2)(C8H14)(2)] molecules lying on positions with site symmetry 2. Both the coordination plane, defined by the metal, S atoms and the two midpoints of the olefinic bonds, and the dithiocarbamate chelate system are essentially planar. The orientation of the coordinated C=C bonds with respect to the coordination plane is close to perpendicular [(C=C,Ir)/(Ir,S,S) interplanar angle: 79.4 (2)degrees]. The Ir-C distances are 2.144 (3) and 2.155 (3) Angstrom, and the Ir-S bond length is 2.3661 (8) Angstrom. Due to pi -coordination, the olefinic bonds are elongated to 1.424 (5) Angstrom. The cyclooctene ligands adopt a crown conformation.

  DOI：

  10.1107/s0108270101004954