hexahydroxynickel(VIII) 2,5-dicarboxy-1l5,2l5-cyclohexa-1,2,4,6-tetraene-1,4-dicarboxylate | 144771-99-3

• 英文名称: hexahydroxynickel(VIII) 2,5-dicarboxy-1l5,2l5-cyclohexa-1,2,4,6-tetraene-1,4-dicarboxylate
• CAS: 144771-99-3
• 化学式: C₁₀H₄O₈*H₁₂NiO₆
• 分子量: 418.919
• InChiKey: DPIRCQWHKVRKJH-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：

  nickel(II) sulphate 、 均苯四甲酸 在 BaCl₂ 、 KOH 作用下， 以 水 为溶剂， 生成 hexahydroxynickel(VIII) 2,5-dicarboxy-1l5,2l5-cyclohexa-1,2,4,6-tetraene-1,4-dicarboxylate
  参考文献：
  名称：

  Study of the aqueous reactions of metallic ions with benzenetetracarboxylate ions

  摘要：

  The reactions of several divalent transition metals with 1,2,4,5-benzenetetracarboxylate ions were studied in aqueous solution. Mn(II), Co(II) and Ni(II) produced ionic products of formula [M(H2O)(6)][C6H2(COO)(2)(COOH)(2)]. The three compounds were characterized by crystallographic methods. The results have shown that the three crystals are isostructural and that they belong to the monoclinic C2/c space group. The metal atom and two O atoms (from two aqua ligands) are located on a two-fold axis, while the other four aqua ligands are located in general positions. The anions contain an inversion center. The two hydrogens on the carboxylic functions form intramolecular H bonds with the carboxylate groups. The average M-OH2 bond distances are 2.181(1) Angstrom for Mn(II), 2.092(1) Angstrom for Co(II) and 2.056(1) Angstrom for Ni(II). The ions are linked together by extensive H bonds. With the Ni salt, a dinuclear species, containing a bridging benzenetetracarboxylato ligand was synthesized and characterized by X-ray diffraction. The compound Ni(H2O)(5)(mu-C6H2(COO)(4))Ni(H2O)(5). 6H(2)O contains an inversion center in the center of the phenyl ring. The average Ni-OH2 distance is 2.0710(8) Angstrom and the sixth Ni-O bond is 2.0356(7) Angstrom. The Ni ... Ni distance is 11.360(2) Angstrom. The crystal is stabilized by a very elaborate H-bonding system forming a H-bonded three-dimensional network. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00086-4