octa(ε-caprolactam)neodymium(III) hexa(isothiocyanato)chromate(III) | 90893-84-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: octa(ε-caprolactam)neodymium(III) hexa(isothiocyanato)chromate(III)
• CAS: 90893-84-8
• 化学式: C₆CrN₆S₆*C₄₈H₈₈N₈NdO₈
• 分子量: 1450.01
• InChiKey: SWWCHOQKTNESEQ-UHFFFAOYSA-N

反应信息

• 作为产物：
  描述：

  己内酰胺 、 neodymium(III) chloride hexahydrate 、 potassium hexa(isothiocyanato)chromate(III) tetrahydrate 以 水 为溶剂， 生成 octa(ε-caprolactam)neodymium(III) hexa(isothiocyanato)chromate(III)
  参考文献：
  名称：

  Synthesis and crystal structure of octa(ε-caprolactam)neodymium(III) hexa(isothiocyanate)chromate(III)

  摘要：

  The novel mixed-ligand ionic complex compound [Nd(E-caprolactam)(8)][Cr(NCS)(6)] was prepared by the reaction between NdCl3, epsilon-caprolactam and K-3[Cr(NCS)(6)] in water solution and structurally characterized. Crystals are triclinic, space group P (1) over bar a = 14.2438(6) AA, b = 14.5641(6) 17.0308(7) A, alpha = 92.5180(10)degrees, beta = 91.0130(10)degrees, gamma = 108.6020(10)degrees, V = 3343.3(2) angstrom(3), Z = 2, T = 90 K, D = 1.440 g cm(-3), R = 0.0342 for 16,296 (I > 2 sigma I). Caprolactam ligands are completely ordered. The neodymium(III) atom is in distorted square-antiprismatic environment of eight oxygen atoms of L ligands, Nd-O = 2.37-2.54 angstrom. NH groups of caprolactam ligands are involved in hydrogen bonding forming NH...O intramolecular and NH...S(CN) inter-ionic contacts so that each cation is joined to three anions and vice versa. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2005.09.035