catena-poly[[trans-dichloro-copper(II)]-μ-1,4,7,10,13,16-hexathiacyclooctadecane-S1:S10] | 325705-96-2

• 英文名称: catena-poly[[trans-dichloro-copper(II)]-μ-1,4,7,10,13,16-hexathiacyclooctadecane-S1:S10]
• CAS: 325705-96-2
• 化学式: C₁₂H₂₄Cl₂CuS₆
• 分子量: 495.171
• InChiKey: QLIQKSWCINELHU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  六硫环辛烷 、 copper dichloride 以 二氯甲烷 、 乙腈 为溶剂， 以95.7%的产率得到catena-poly[[trans-dichloro-copper(II)]-μ-1,4,7,10,13,16-hexathiacyclooctadecane-S1:S10]
  参考文献：
  名称：

  catena-Poly[[trans-dichlorocopper(II)]-μ-1,4,7,10,13,16-hexathiacyclooctadecane-S¹:S¹⁰]

  摘要：

  In the title complex, [CuCl2(C12H24S6)](n), the CuCl2 unit and the ligand lie on and about inversion centres, respectively. The coordination geometry at Cu-II is a tetragonally elongated octahedron with the equatorial positions occupied by two chlorides, Cu-Cl 2.2786 (12) Angstrom, and two S donors, Cu-S 2.3710 (13) Angstrom. The apical positions of the octahedron are defined by two S donors at distances of 2.8261 (14) Angstrom from the metal. The macrocyclic ligand adopts a very puckered and distorted conformation. Eight of the 18 torsion angles are less than 90 degrees and all S-donors are oriented exo to the ring.

  DOI：

  10.1107/s0108270100014475