[(η(6)-C6Me6)2Ru2(μ2-H)(μ2-η(1),η(1)-4-methylpyrazolate)2]PF6 | 212009-82-0

• 英文名称: [(η(6)-C6Me6)2Ru2(μ2-H)(μ2-η(1),η(1)-4-methylpyrazolate)2]PF6
• CAS: 212009-82-0
• 化学式: C₃₂H₄₇N₄Ru₂*F₆P
• 分子量: 834.856
• InChiKey: RGGZPRNEMGLBFG-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：

  ammonium hexafluorophosphate 、 silver sulfate 、 4-甲基吡唑 、 [RuCl2(hexamethylbenzene)]2 、 sodium tetrahydroborate 在 H₂O 作用下， 以 水 为溶剂， 以90%的产率得到[(η(6)-C6Me6)2Ru2(μ2-H)(μ2-η(1),η(1)-4-methylpyrazolate)2]PF6
  参考文献：
  名称：

  Reactions of the cationic complex [(η6-C6Me6)2Ru2(μ2-H)3]+ with nitrogen-containing heterocycles in aqueous solution

  摘要：

  The dinuclear cation [(eta(6)-C6Me6)(2)Ru-2(mu(2)-H)(3)](+) (1) reacts in aqueous solution with pyrazole and 4-methylpyrazole to give the bispyrazolato complexes [(eta(6)-C6Me6)(2)Ru-2(mu(2)-H)(mu(2)-eta(1),eta(1)-N2C3H2R)(2)](+) (R = H: 2, R = Me: 3). The reaction with 1,2,4-triazole results in the formation of the bistriazolato complex [(eta(6)-C6Me6)(2)Ru-2(mu(2)-H)(mu(2)-eta(1),eta(1)-N3C2H2)(2)](+) (4) Successive protonation of the triazolato ligands in 4 leads to the complexes [(eta(6)-C6Me6)(2)Ru-2(mu(2)-H)(mu(2)-eta(1),-N3C2H2)(mu(2)-eta(1),eta(1)-N3C2H3)](2+) (5) and [(eta(6)-C6Me6)(2)RU2(mu(2)-H)(mu(2)-eta(1),eta(1)-N3C2H2)(2)](3+) (6). The reaction of 1 with 1,2,3-triazole gives a 1:1 mixture of the bistriazolato complexes [(eta(6)-C6Me6)(2)Ru-2(mu(2)-H)(mu(2)-eta(1),eta(1)-N3C2H2)(2)](+) with parallel (7a) and anti-parallel (7b) coordination of the triazolato ligands. The single-crystal X-ray structure analyses of 2 (hexafluorophosphate salt) and 4 (tosylate salt) reveal for both complex types a ruthenium-ruthenium backbone being bridged by the two heterocyclic ligands with the N-N axis coordinated in a mu(2)-eta(1),eta(1)-fashion. A single-crystal X-ray structure analysis of title complex 1 (hexafluorophosphate salt) confirms the presence of three bridging hydride ligands with a Ru-Ru distance of only 2.47 Angstrom. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00536-1