[Cd4Cl2(μ-Cl)2(η,η,η-μ3-SO4)2(1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimetylbenzene)2] | 1272671-94-9

• 英文名称: [Cd4Cl2(μ-Cl)2(η,η,η-μ3-SO4)2(1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimetylbenzene)2]
• 英文别名: [Cd4Cl2(μ-Cl)2(η,η,η-μ3-SO4)2(titmb)2]
• CAS: 1272671-94-9
• 化学式: C₄₂H₄₈Cd₄Cl₄N₁₂O₈S₂
• 分子量: 1504.5
• InChiKey: PZFYQBROEIZTRU-UHFFFAOYSA-F

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

• 作为反应物：
  描述：

  [Cd4Cl2(μ-Cl)2(η,η,η-μ3-SO4)2(1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimetylbenzene)2] 以 neat (no solvent) 为溶剂， 生成 cadmium(II) oxide
  参考文献：
  名称：

  Solvent effects on the formation of different cadmium compounds from CdSO4, HCl and 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene

  摘要：

  Solvothermal reactions of CdSO4 center dot 8/3H(2)O with 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene (titmb) and HCl in H2O, MeOH or EtOH afforded three coordination complexes [Cd5Cl2(mu-Cl)(4)(mu(3)-Cl)(2)(eta,eta,eta-mu(3)-SO4)(2)(H2O)(2) (Htitmb)(2)](n) (1), [Cd4Cl2(mu-Cl)(2)(eta,eta,eta-mu(3)-SO4)(2)(MeOH)(2)(titmb)(2)](n) (2) and [Cd4Cl2(mu-Cl)(2)(eta,eta,eta-mu(3)-SO4)(2)] (3), respectively. All the compounds were characterized by elemental analysis, IR and single crystal X-ray diffraction. Compound 1 has a 1D chain in which each centrosymmetric double butterfly-shaped [Cd5Cl2(mu-Cl)(4)(mu(3)-Cl)(2)(H2O)(2)] unit interlinks with its equivalent ones via two couples of eta,eta,eta-mu(3)-SO4 anions and two pairs of the Htitmb ligands. Compound 2 consists of one centrosymmetric [Cd5Cl2(mu-Cl)(2)(eta,eta,eta-mu(3)-SO4)(2)(MeOH)(4)(titmb)(2)] unit that interconnects with equivalent ones via sharing Cd3 and its symmetry-related ones, forming a 1D zigzag chain. Compound 3 consists of a [Cd4Cl2(mu-Cl)(2)(eta,eta,eta-mu(3)-SO4)(2)] unit linked by a pair of titmb ligands. The results may provide some insight into solvent effects on the formation of different coordination compounds from the same components. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.12.012
• 作为产物：
  描述：

  盐酸 、 cadmium(II) sulfate*8/3H2O 、 1,1,1-((2,4,6-三甲基苯-1,3,5-三基)三(亚甲基))三(1H-咪唑) 以 盐酸 、 乙醇 为溶剂， 以69%的产率得到[Cd4Cl2(μ-Cl)2(η,η,η-μ3-SO4)2(1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimetylbenzene)2]
  参考文献：
  名称：

  Solvent effects on the formation of different cadmium compounds from CdSO4, HCl and 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene

  摘要：

  Solvothermal reactions of CdSO4 center dot 8/3H(2)O with 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene (titmb) and HCl in H2O, MeOH or EtOH afforded three coordination complexes [Cd5Cl2(mu-Cl)(4)(mu(3)-Cl)(2)(eta,eta,eta-mu(3)-SO4)(2)(H2O)(2) (Htitmb)(2)](n) (1), [Cd4Cl2(mu-Cl)(2)(eta,eta,eta-mu(3)-SO4)(2)(MeOH)(2)(titmb)(2)](n) (2) and [Cd4Cl2(mu-Cl)(2)(eta,eta,eta-mu(3)-SO4)(2)] (3), respectively. All the compounds were characterized by elemental analysis, IR and single crystal X-ray diffraction. Compound 1 has a 1D chain in which each centrosymmetric double butterfly-shaped [Cd5Cl2(mu-Cl)(4)(mu(3)-Cl)(2)(H2O)(2)] unit interlinks with its equivalent ones via two couples of eta,eta,eta-mu(3)-SO4 anions and two pairs of the Htitmb ligands. Compound 2 consists of one centrosymmetric [Cd5Cl2(mu-Cl)(2)(eta,eta,eta-mu(3)-SO4)(2)(MeOH)(4)(titmb)(2)] unit that interconnects with equivalent ones via sharing Cd3 and its symmetry-related ones, forming a 1D zigzag chain. Compound 3 consists of a [Cd4Cl2(mu-Cl)(2)(eta,eta,eta-mu(3)-SO4)(2)] unit linked by a pair of titmb ligands. The results may provide some insight into solvent effects on the formation of different coordination compounds from the same components. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.12.012