(CpPr[CH(COOC2H5)2][μ-CH(COOC2H5)2])2 | 182160-00-5

• 英文名称: (CpPr[CH(COOC2H5)2][μ-CH(COOC2H5)2])2
• CAS: 182160-00-5
• 化学式: C₃₈H₅₄O₁₆Pr₂
• 分子量: 1048.65
• InChiKey: AGEHPLLYODROGV-UHFFFAOYSA-N

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：

  Pr(cyclopentadienyl)3 、 丙二酸二乙酯 以 正己烷 为溶剂， 以34.7%的产率得到(CpPr[CH(COOC2H5)2][μ-CH(COOC2H5)2])2
  参考文献：
  名称：

  Synthesis and structural investigation of {CpPr[CH(COOC2H5)2][μ-CH(COOC2H5)2]}2

  摘要：

  The reaction of a 1:2 molar ratio of Cp(3)Pr with diethyl malonate in n-hexane results in the formation of {CpPr[CH(COOC2H5)(2)][mu-CH(COOC2H5)(2)]}(2). X-ray analysis demonstrates that the complex is a dimer, the two praseodymium atoms are bridged by two oxygen atoms of two independent diethyl malonate ligands. The bridging ligands coordinate with the praseodymium atom in a tridentate mode, the other two diethyl malonate ligands coordinate with praseodymium in a bidentate mode. The complex crystallizes in the monoclinic system, space group P2(1)/a with unit cell constants a = 9.675(4), b = 18.134(3), c = 12.795(3) Angstrom, beta = 92.53(3)degrees, D-c = 1.55 g cm(-3) M(r) = 1048.65, V = 2243(2) Angstrom(3), for Z = 2, mu = 22.01 cm(-1) and F(000)= 1056. The structure was solved by heavy atom methods (DIRDIF) and full-matrix least-squares refinement to the final R = 0.040, R(w) = 0.048.

  DOI：

  10.1016/0022-328x(96)06415-7