[Co3(NCS)6(4-amino-3,5-dimethyl-1,2,4-triazole)6]*CH3OH*H2O | 469897-60-7

• 英文名称: [Co3(NCS)6(4-amino-3,5-dimethyl-1,2,4-triazole)6]*CH3OH*H2O
• CAS: 469897-60-7
• 化学式: CH₄O*C₃₀H₄₈Co₃N₃₀S₆*H₂O
• 分子量: 1248.35
• InChiKey: SXMURFDCWMIQCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  硫氰酸铵 、 甲醇 、 4-氨基-3,5-二甲基-1,2,4-三唑 、 cobalt(II) nitrate hexahydrate 以 甲醇 、 水 为溶剂， 以55%的产率得到[Co3(NCS)6(4-amino-3,5-dimethyl-1,2,4-triazole)6]*CH3OH*H2O
  参考文献：
  名称：

  Synthesis, crystal structures and magnetic properties of [Co3(NCS)6(admtrz)6]·CH3OH·H2O and [Ni3(NCS)6(admtrz)6]·1.5H2O (admtrz=4-amino-3,5-dimethyl-1,2,4-triazole)

  摘要：

  Two linear trinuclear complexes [Co-3(NCS)(6)(admtrz)(6)](CH3OHH2O)-C-.-H-. (1) and [Ni3NCS)(6)(admtrz)(6)](.)1.5H(2)O (2) containing 1.2,4-triazole and NCS anion as bridging ligands have been isolated, and characterized by X-ray diffraction methods. The two complexes are the isostructural neutral linear trimers, in which the central and terminal metal(II) ions are linked by two N1,N2-1,2,4-triazole ligands and one N-bridging NCS anion, while the terminal metal ions complete their octahedral coordination with one. monodentate triazole and two N-bonded NCS anions. The magnetic behavior was investigated in the temperature range 5 300 K. The magnetic susceptibility measurements show that the Co(II) ions are weakly antiferromagnetically coupled with J = -2.8 cm(-1). while Ni(II) ions are ferromagnetically coupled with J = 10.45 cm(-1). The nature and the magnitude of the magnetic-exchange of the two complexes have been discussed on the basis of the structural features. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)00909-x