fac-{tris(thiocyanato)-tris(pyridino)-chromium} | 71629-73-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: fac-{tris(thiocyanato)-tris(pyridino)-chromium}
• CAS: 71629-73-7
• 化学式: C₁₈H₁₅CrN₆S₃
• 分子量: 463.551
• InChiKey: WGUUWOIBMUSLIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.22
• 重原子数：
  28
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  在 吡啶 作用下， 以 吡啶 为溶剂， 以0%的产率得到fac-{tris(thiocyanato)-tris(pyridino)-chromium}
  参考文献：
  名称：

  Structural characterization of octahedral metal complexes of [MX3(py)3] type with three pyridines as revealed by 2H NMR spectra

  摘要：

  Deuterium NMR spectra of a series of mer-[MX3(py-d5)3] type complexes where M = Cr(III), Mo(III) and X = Cl -, Br-, F-, NCS- have been measured to determine the geometrical structure. Most of them provided a decisive criteria for this purpose with only one exception of [CrCl3(py-ds),] where the H-2 NMR and visible absorption spectra behave like the fac isomer. The previous assignments of 'fac'- and 'mer'-[Cr(NCS)3(py)3] by DasSarma and DasSarma were found to be wrong; correctly mer-[Cr(NCS)3(py)3] and (Hpy)[Cr(NCS)4(py)2], respectively.

  DOI：

  10.1016/0020-1693(93)03780-e