[(κ(2)-N1N2-hexakis(pyrazol-1-yl)benzene)Pd(C6F5)2] | 507262-86-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(κ(2)-N1N2-hexakis(pyrazol-1-yl)benzene)Pd(C6F5)2]
• 英文别名: palladium(2+);1,2,3,4,5-pentafluorobenzene-6-ide;1-[2,3,4,5,6-penta(pyrazol-1-yl)phenyl]pyrazole
• CAS: 507262-86-4
• 化学式: C₃₆H₁₈F₁₀N₁₂Pd
• 分子量: 915.023
• InChiKey: YAFPXMJLPXNZGO-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：

  (COD)Pd^II(C₆H₅)₂ 、 hexakis(pyrazol-1-yl)benzene 以 四氢呋喃 为溶剂， 生成 [(κ(2)-N1N2-hexakis(pyrazol-1-yl)benzene)Pd(C6F5)2]
  参考文献：
  名称：

  Variety in the Coordination Modes of the Ligand Hexakis(pyrazol-1-yl)benzene (Hpzb) to PdII, PtII and CuI Centres

  摘要：

  The structure and conformational analysis of eight complexes derived from hexakis(pyrazol-1-yl)benzene (hpzb) have been carried out by means of X-ray crystallography and NMR spectroscopy. The metallic fragments [Pd(C6F5)(2), [Pd(eta(3)-2-Me-C3H4)](+), PtCl2 and Cu(PMe3)(+)] coordinate with two adjacent pyrazole residues yielding complexes with one, two or three metallic centres. The crystal and molecular structures of [(Pd(C6F5)2)2(hpzb)], [(Pd(eta(3)-C4H7)}(2-)(hpzb)](TfO)(2), [(Cu(PMe3))(2)(hpzb)](BF4)(2) and [fPd(eta(3)-C4H7)}(3)(hpzb)](TfO)(3) have been determined. The structure of each of the complexes depends on the fact that the metal atoms, when two or three are present, prefer to be situated on opposite faces of the benzene ring. Evidence for restricted rotation of the uncoordinated pyrazolyl groups has been found for the free ligand and monometallic derivatives, while free rotation of these groups at room temperature has been observed for the dimetallic complexes. Furthermore, the derivative [[Cu(PMe3)]2(hpzb))(BF4)(2) and probably [(Pd(eta(3)-C4H2))(2)(hpzb)](TfO)(2) exhibit metallotropy on the NMR time scale. (C) Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002.

  DOI：

  10.1002/1099-0682(200212)2002:12<3178::aid-ejic3178>3.0.co;2-r