| 207293-34-3

• CAS: 207293-34-3
• 化学式: Ba*H₃Pd*Na
• 分子量: 269.764
• InChiKey: PSCUHCCYLHLKDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.18
• 重原子数：
  3.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  barium hydride 、 氢气 、 sodium hydride 、 钯 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  The First Trigonal Planar Transition Metal−Hydrogen Complex in NaBaPdH₃

  摘要：

  A new quaternary hydride, NaBaPdH3, has been synthesized. The novel structure type was refined, in the hexagonal space group P6(3)/mmc, from single-crystal X-ray data complemented by neutron powder diffraction data from the corresponding deuteride. The unit cell dimensions at 150 K were determined to be a = 6.049(1) Angstrom and c = 6.061(3) Angstrom. The structure consists of trigonal planar PdH3 complex anions, with formally zerovalent palladium, in a framework of sodium and barium counterions. It is related to the CaCuP structure, with the PdH3 unit at the P atom site and Ba and Na at the Cu and Ca atom sites, respectively.

  DOI：

  10.1021/ic971386q