[[Fe(NCS)(4-phenylpyridine)]2(μ-3,5-bis(2-pyridyl)-pyrazole(1-))2] | 872005-85-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [[Fe(NCS)(4-phenylpyridine)]2(μ-3,5-bis(2-pyridyl)-pyrazole(1-))2]
• CAS: 872005-85-1
• 化学式: C₅₀H₃₆Fe₂N₁₂S₂
• 分子量: 980.742
• InChiKey: ZFRIKXAFUUFBCQ-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：

  Fe(py)4(NCS)2 、 4-苯基吡啶 、 3,5-二(2-吡啶基)吡唑 在 tetra-n-butylammonium hydroxide 作用下， 以 甲醇 为溶剂， 以71%的产率得到[[Fe(NCS)(4-phenylpyridine)]2(μ-3,5-bis(2-pyridyl)-pyrazole(1-))2]
  参考文献：
  名称：

  Synthesis, structure and magnetic properties of pyrazolate-bridged dinuclear complexes [{M(NCS)(4-Phpy)}2(μ-bpypz)2] (M = Co2+ and Fe2+)

  摘要：

  The synthesis and magnetic characterization of pyrazolato-bridged dinuclear complexes [{M(NCS)(4-Phpy)}(2)(mu-bpypz)(2)] (Hbpypz=3,5-bis(2-pyridyl)-pyrazole; 4-Phpy=4-phenylpyridine; M=CO2+ (1) and Fe2+ (2)) are described together with the X-ray crystal analysis of the cobalt complex. The structure of 1 shows that the desired coordination has been achieved with the cobalt atoms being coordinated to two bpypz to form the dimer. The X-ray diffraction patterns show 1 and 2 to be isomorphous at room temperature. 2 displays it single spin-crossover transition between the [HS-HS] and [LS-LS] states with T-c = 150 K. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.03.047