[(μ2-H)6Ru6(CO)14(μ3,η2-SCNH(Ph)NPh)2] | 169699-55-2

• 英文名称: [(μ2-H)6Ru6(CO)14(μ3,η2-SCNH(Ph)NPh)2]
• CAS: 169699-55-2
• 化学式: C₄₀H₂₈N₄O₁₄Ru₆S₂
• 分子量: 1459.23
• InChiKey: HLZAEFNIJUVOMX-UHFFFAOYSA-L

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：

  {Ru6(CO)16(μ-H)(μ5-S)(μ3-η2-PhNCSNHPh)} 、 氢气 以 二氯甲烷 为溶剂， 以13%的产率得到[(μ2-H)6Ru6(CO)14(μ3,η2-SCNH(Ph)NPh)2]
  参考文献：
  名称：

  Structural Variations in Hexanuclear Ruthenium Clusters with Thioureato Ligands: Syntheses and Molecular Structures of [Ru6(CO)14(.mu.-CO)2(.mu.4-S)(.mu.3,.eta.2-SCNHPhNPh)(.mu.3,.eta.2-NPhCNHPh)] and [(.mu.-H)6Ru6(CO)14(.mu.3,.eta.2-SCNHPhNPh)2]

  摘要：

  Under thermal conditions, the trinuclear ruthenium cluster [(mu-H)RU(3)(CO)(9)(mu(3),eta(2)-SCNHPhNPh)] (1) was found to undergo metal framework condensation to hexanuclear ruthenium clusters. The hexanuclear cluster [Ru-6(CO)(14)(mu(2)-CO)(2)(mu(4)-S)(mu(3),eta(2)-SCNHPhNPh)] (2), shown by X-ray crystallography to contain a hexagonal boat arrangement of the six metal atoms, was isolated along with the hexagonal sofalike cluster [(mu(2)H)Ru-6(CO)(16)(mu(5)-S)(mu(3),mu(2)-SCNHPhNPh)] (3), reported previously. Crystals of 2 are triclinic, space group P (1) over bar, with a = 12,141(3) Angstrom, b = 12.449(4) Angstrom, c = 19.712(6) Angstrom, alpha = 90.22(3)degrees, beta = 99.50(2)degrees, gamma = 111.61(2)degrees, and Z = 2. Compound 3 was found to take up molecular hydrogen under mild conditions to give [(mu(2)-H)(6)Ru(CO)(14)(mu(3),eta(2)-SCNHPhNPh)(2)] (4), the X-ray structure analysis of which reveals a hexagonal raft arrangement of the Ru-6 skeleton. Crystals of 4 are triclinic, space group P (1) over bar, with a 9.799(1) Angstrom, b = 12.594(2) Angstrom, c = 14.466(1) Angstrom, alpha = 112.45(1)degrees, beta = 92.71(1)degrees, gamma = 102.05(1)degrees, and Z = 1.

  DOI：

  10.1021/ic00127a016