| 252256-67-0

• CAS: 252256-67-0
• 化学式: C₄₉H₄₂ClN₃OP₂Re*F₆P
• 分子量: 1117.46
• InChiKey: WMYNJOMYWPCPRW-UHFFFAOYSA-M

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：

  ammonium hexafluorophosphate 、 6-氰基-2,2'-联吡啶 、 trans-[Re(NPh)(PPh3)2Cl3] 、 乙醇 以 乙醇 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  Synthesis and Electrochemical and Structural Chemistry of Rhenium in High Oxidation States with Sterically Hindered Polypyridine Ligands

  摘要：

  The syntheses and electrochemical properties of several novel rhenium complexes containing the sterically-hindered ligands 6-methylbipyridine, 6-cyanobipyridine, and 2,9-dimethyl-1,10-phenanthroline are reported. The reaction of the ligands with trans,mer-[Re(NPh)(PPh3)(2)Cl-3] was different in every case, as is evident by formation of complexes in which rhenium ion exists in different oxidation states. The structures of the complexes have been determined by three-dimensional X-ray diffraction methods, and are found to produce novel coordination environments. Of particular note is the rare example of a five-coordinate Re(IV)-imido complex, [Re(NPh)(dmp)(PPh3)(OEt)](+), C40H37F6N3OP2Re, which crystallizes in the space group P21/c (no. 14) of the monoclinic system with four molecules in a cell of dimensions a = 11.128(2) Angstrom, b = 30.474(6) Angstrom, c = 11.923(3) Angstrom, and beta = 95.78(3)degrees. The structure has been refined to a final value for the crystallographic R factor of 0.059 on the basis of 5248 independent reflections. The complex [Re(NPh)(6-mebpy)(PPh3)(Cl)(OEt)](+), C37H35C11F6N3OP2Re crystallizes in the space group P (1) over bar (no. 2) of the triclinic system with two molecules in a cell of dimensions a = 10.700(2) Angstrom, b 11.866(2) Angstrom, c = 15.280(3) Angstrom, alpha = 93.24(3)degrees, beta = 97.76(3)degrees, and gamma = 106.89(3)degrees. The structure has been refined to a find value for the crystallographic R factor of 0.040 on the basis of 8424 independent reflections.

  DOI：

  10.1021/ic9814672