La(hatren) | 116699-30-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: La(hatren)
• CAS: 116699-30-0
• 化学式: C₃₀H₃₃LaN₄O₃
• 分子量: 636.523
• InChiKey: YDZPBFBGADKPOV-WOTXTJEVSA-K

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：

  氯化镧水合物 、 H3hatren 以 乙醇 为溶剂， 以91%的产率得到La(hatren)
  参考文献：
  名称：

  Smith, Alexis; Rettig, Steven J.; Orvig, Chris, Inorganic Chemistry, 1988, vol. 27, # 22, p. 3929 - 3934

  摘要：

  DOI：

文献信息

• Heptadentate ligands for the lanthanides. The first structurally characterized example of a lanthanide heptadentate ligand complex: [tris(3-aza-4-methyl-6-oxohept-4-en-1-yl)amine]ytterbium(III)
  作者：David J. Berg、Steven J. Rettig、Chris Orvig

  DOI：10.1021/ja00007a029

  日期：1991.3

  Several binary heptacoordinate-N4O3-ligand LnL complexes of the lanthanides have been prepared and characterized. The heptadentate ligands are the Schiff base condensation products of tris(2-aminoethyl)amine with 3 equiv of either acetylacetone (to form H-3trac) or a hydroxyacetophenone (to form H-3hatren or H-3datren). The complexes hydrolyze easily but most of the Ln(trac) complexes are stable enough to sublime. Crystals of Yb(trac) were isolated by sublimation, and its structure has been solved; it is the first structurally characterized example of a lanthanide heptadentate ligand complex. Crystals of Yb(trac) are monoclinic, a = 13.150 (5) angstrom, b = 16.125 (5) angstrom, c = 22.938 (5) angstrom, beta = 105.83 (2)-degrees, Z = 8, rho-c = 1.597 g cm-3, space group P2(1)/c. The structure was solved by the Patterson method and was refined by full-matrix least-squares procedures to R = 0.043 and R(w) = 0.053 for 4199 reflections with I greater-than-or-equal-to 3-sigma(I). The structure contains two crystallographically independent, but virtually identical (one LAMBDA and one DELTA), molecules of Yb(trac) having approximate C3 symmetry. The Yb atoms are coordinated by the three O atoms and four N atoms of the heptadentate trac3- ligand in a capped octahedral arrangement with Yb-O = 2.161(9)-2.199(9) angstrom and Yb-N = 2.41(1)-2.46(1) angstrom.