([Gd(μ-C6H5C4O3)(C6H5C4O3)2(H2O)4]*H2O)(n) | 344792-68-3

• 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: ([Gd(μ-C6H5C4O3)(C6H5C4O3)2(H2O)4]*H2O)(n)
• CAS: 344792-68-3
• 化学式: C₃₀H₂₃GdO₁₃*H₂O
• 分子量: 766.77
• InChiKey: JIANEPPDEAYTKI-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  gadolinium(III) nitrate hexahydrate 、 3-phenyl-4-hydroxycyclobut-3-ene-1,2-dione 以 水 为溶剂， 以40%的产率得到([Gd(μ-C6H5C4O3)(C6H5C4O3)2(H2O)4]*H2O)(n)
  参考文献：
  名称：

  The complexing properties of the phenylsquarate ligand with Ru(II), Pt(II), Gd(III) and Tb(III) ions

  摘要：

  Reaction of 3-phenyl-4-hydroxycyclobut-3-ene-1,2-dione (phenylsquarate) with Ru(dmso)(4)Cl-2 in acetonitrile afforded crystals of the monomeric species Ru(dmso)(3)Cl(H2O)(C6H5C4O3).H2O (1) in which the ruthenium is in a slightly distorted octahedral geometry with three fac S-bonded dmso ligands. No complexation occurs when Pt(NH3)(4)Cl-2 is reacted with the same ligand in aqueous solution: instead, the hydrogen-bonded salt [Pt(NH3)(4)][C6H5C4O3](2).H2O (2) is produced. The isomorphous complexes {[M(mu -C6H5C4O3)(C6H5C4O3)(2)(H2O)(4)].H2O}(n) [M = Tb (3), Gd (4)] formed by the reaction of the phenylsquarate ligand with the respective metal nitrate contain eight-coordinate metal centres surrounded by two mu -1,3-bridged and two pendant phenylsquarate ligands and four aqua ligands, Tn the solid state, 3 and 4 form interleaved pi -stacked and hydrogen-bonded sheets with pronounced hydrophobic and hydrophilic surfaces, In compounds 1-4, the phenylsquarate ligands participate in pi-pi interactions and exhibit multiple bond localisation, the pattern of bonding being the same in each structure. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00391-1