[1,4-diazabicyclo[2.2.2]octane-H][Re2(μ-OMe)3(CO)6] | 573954-29-7

• 英文名称: [1,4-diazabicyclo[2.2.2]octane-H][Re2(μ-OMe)3(CO)6]
• 英文别名: [DABCO-H][Re2(μ-OMe)3(CO)6]
• CAS: 573954-29-7
• 化学式: C₆H₁₃N₂*C₉H₉O₉Re₂
• 分子量: 746.762
• InChiKey: MCECGJLUJPBQDZ-UHFFFAOYSA-O

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：
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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：

  N,N'-diazabicyclo[2.2.2]octonium 、 [NMe4][Re2(μ-OMe)3(CO)6] 以 甲醇 为溶剂， 以0%的产率得到[1,4-diazabicyclo[2.2.2]octane-H][Re2(μ-OMe)3(CO)6]
  参考文献：
  名称：

  Organic−Organometallic Crystal Engineering:  Novel Formation of a Honeycomb Supramolecular Architecture of [Re₂(μ-OMe)₃(CO)₆]^- Anions Encapsulating a Linear H-Bonded Chain of [DABCO-H]⁺ Cations

  摘要：

  The title salt [Re-2(mu-OMe)(3)(CO)(6)](-)[DABCO-H](+) (1) was prepared as colorless prismatic crystals by the reaction of DABCO with Re(CO)(5)(OTf) in refluxing methanol solution and was characterized by spectroscopic means including single-crystal X-ray diffraction techniques. The molecular structure of 1 revealed that a novel honeycomb supramolecular architecture of the anionic organometallic complex created a cavity with an effective diameter of 7.450-(3) Angstrom that houses a linear H-bonded chain of [DABCO-H]+ in its center. This structure also represents the first example of the use of a linear chain of [DABCO-H](+) species as a countercation for a coordination compound.

  DOI：

  10.1021/ic034510g