| 210560-23-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 210560-23-9
• 化学式: C₃₆H₆₄P₂PdSe₂
• 分子量: 823.192
• InChiKey: XHIQNIFMMLAUFP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  41.0
• 可旋转键数：
  24.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  bis(tributylphosphine)dichloropalladium(II) 、 二苯基二硒醚 在 NaBH₄ 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Mononuclear palladium(II) complexes with the phenylselenolato ligand. The crystal and molecular structure of trans-[Pd(SePh)2(P(n-Bu)3)2]

  摘要：

  Mononuclear palladium(II) complexes of the type [Pd(SePh)(2)L-2] [where L = pMe(3), PEt3, p(n-Ba)(3), PMePh2 or TPA (1,3,5-triaza-7-phosphaadamantane)] have been prepared and characterized by elemental analysis, H-1, C-13{H-1} and P-31{H-1} NMR data and in the case of [Pd(SePh)(2)(P(n-Bu)(3))(2)] by single-crystal X-ray diffraction methods. Crystals of [Pd(SePh)(2)(P(n-Bu)(3))(2)] are triclinic, space group P (1) over bar, a=8.4798(7), b = 10.3002(15), c = 12.254(2)Angstrom, alpha = 77.957(15), beta = 85.806(11), gamma= 83.550(9)degrees, Z=1. The structure was refined by full-matrix least-squares calculations on F-2 to final R values R-obs = 0.0267 (for 3187 reflections with I greater than or equal to 2 sigma(I)) and wR(F-2)= 0.0657 (for all 4549 measured reflections). The structure determination shows that the Pd atom lies on an inversion centre so that the coordination geometry is necessarily trans:and planar. Main bond lengths are Pd-P 2.3334(7) and Pd-Se 2.4609(4)Angstrom. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00048-5