[Cd(homophthalate)(1,3-bis(4-pyridyl)propane)] | 1335033-41-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Cd(homophthalate)(1,3-bis(4-pyridyl)propane)]
• 英文别名: [Cd(hmph)(dpp)]
• CAS: 1335033-41-4
• 化学式: C₉H₆O₄*C₁₃H₁₄N₂*Cd
• 分子量: 488.822
• InChiKey: CARIUIBFLWSCIY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.99
• 重原子数：
  29.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  106.04
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  邻羧基苯乙酸 、 4,4'-(1,3-丙二基)双吡啶 、 cadmium(II) sulfate*8/3H2O 以 水 为溶剂， 以56%的产率得到[Cd(homophthalate)(1,3-bis(4-pyridyl)propane)]
  参考文献：
  名称：

  Simple layered or complex self-penetrated networks in cadmium homophthalate coordination polymers containing 1,3-bis(4-pyridyl)propane

  摘要：

  Hydrothermal reaction of cadmium salts with homophthalic acid (H(2)hmph) and 1,3-bis(4-pyridyl)propane (dpp) afforded coordination polymers whose topologies are determined by the absence or presence of any unligated counteranions. [Cd(hmph)(dpp)](n) (1) has a zig-zag (4,4) layer topology with simple AAA stacking. {[Cd-6(hmph)(4)(dpp)(11)(H2O)(4)] (ClO4)(4)center dot 4H(2)O}(n) (2) has a complicated, unprecedented tetranodal self-penetrated cationic three-dimensional net built from the linkage of 5-fold interpenetrated 3-connected 4.14(2) cds-a topology [Cd-6(H2O)(4)(dpp)(11)](n)(12n+) subnets by bridging and exotridentate hmph ligands. Luminescent properties of these materials are also discussed. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.07.029