Nb6(μ2-O)3(μ2-trifluoroacetato)6(μ2-ethoxy)6(ethoxy)6 | 676139-62-1

• 英文名称: Nb6(μ2-O)3(μ2-trifluoroacetato)6(μ2-ethoxy)6(ethoxy)6
• CAS: 676139-62-1
• 化学式: C₃₆H₆₀F₁₈Nb₆O₂₇
• 分子量: 1824.27
• InChiKey: BZMIJHOUZXITGM-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  乙醇 、 五氯化铌 、 三氟乙酸 在 zinc 作用下， 以 乙醇 为溶剂， 以23%的产率得到Nb6(μ2-O)3(μ2-trifluoroacetato)6(μ2-ethoxy)6(ethoxy)6
  参考文献：
  名称：

  Synthesis and structure of cyclic hexanuclear oxo-alkoxo–carboxylatoniobium(IV) complexes

  摘要：

  The synthesis and crystal structure of novel oxo-alkoxo-carboxylato Nb(IV) complexes, Nb-6(mu(2)-O)(3)(mu(2)-O2CCX3)(6)(mu(2)-OC2H5)(6)(OC2H5)(6) (X = Cl, F) are described. The single-crystal X-ray structure determination carried out, revealed a closed ring of six Nb(IV) ions linked alternately by two carboxylato groups and an oxo group, and two ethoxo groups. The hexanuclear molecule can essentially be described as a trimer of Nb-2(mu(2)-OC2H5)(2)(OC2H5)(2), each linked by an mu(2)-oxo group and two mu(2)-carboxylato groups. The ethoxo-bridged Nb-Nb distances are 2.735(5) Angstrom, which is consistent with a single metal-metal bond, while the oxo- and carboxylato-bridged non-bonding Nb-Nb distances are 3.635(2) Angstrom. (C) 2003 Published by Elsevier B.V.

  DOI：

  10.1016/j.ica.2003.08.016