tris-thiocyanato(1,7,10,16-tetraoxa-4,13-diazacyclooctadecane)ytterbium(III) | 106816-40-4

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: tris-thiocyanato(1,7,10,16-tetraoxa-4,13-diazacyclooctadecane)ytterbium(III)
• CAS: 106816-40-4
• 化学式: C₁₅H₂₆N₅O₄S₃Yb
• 分子量: 609.641
• InChiKey: KQSKBYWEJNQHJR-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：

  ytterbium(III) thiocyanate 、 二氮杂18-冠醚-6 以 四氢呋喃 为溶剂， 生成 tris-thiocyanato(1,7,10,16-tetraoxa-4,13-diazacyclooctadecane)ytterbium(III)
  参考文献：
  名称：

  Azaoxa macrocyclic complexes of lanthanide(III) thiocyanates. Crystal structures of the tris-thiocyanato (1,7,10,16-tetraoxa-4,13-diazacyclooctadecane) lanthanide(III) complexes (Ln = Eu or Yb)

  摘要：

  The TDCO thiocyanate complexes Eu(NCS)(3)TDCO and Yb(NCS)(3)TDCO (TDCO = 1,7,10,16-tetraoxa-4,13-diazacyclooctadecane) have been synthesised and their X-ray structure determined. Both are monoclinic with 4 neutral molecules in the unit cell of dimensions a=16.438(4), b=15.211(3), c=9.334(2) Angstrom, beta=90.37(3)degrees, V=2333.8(9) Angstrom(3), space group P2(1)/n for Eu and a=17.481(3), b=8.020(2), c=18.056(3) Angstrom, beta=118.12(3)degrees, V=2232.6(9) Angstrom(3), space group P2(1)/c for Yb. They consist of nine-coordinated metal centres linked to six donor atoms of the macrocyclic ligand and to three monodentate isothiocyanate Ligands situated on opposite sides of the macrocycle. The two structures present different conformations of the TDCO ligand. The mean bond lengths are Eu-O 2.56(2), Yb-O 2.498(9), Eu-N-(ring) 2.60(1), Yb-N-(ring) 2.518(8) and Eu-N(CS) 2.44(1), Yb-N(CS) 2.365(9) Angstrom consistent with the difference in the Eu and Yb ionic radii.

  DOI：

  10.1016/0020-1693(95)04826-x