catena-poly[[[triaquacadmium(II)]-μ-acetylenedicarboxylato-κ4O,O':O'',O''']hydrate] | 475978-70-2

• 英文名称: catena-poly[[[triaquacadmium(II)]-μ-acetylenedicarboxylato-κ4O,O':O'',O''']hydrate]
• CAS: 475978-70-2
• 化学式: C₄H₆CdO₇*H₂O
• 分子量: 296.513
• InChiKey: FDBCBZDJMDPNHR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  水 、 cadmium(II) acetate dihydrate 、 丁炔二酸 以 水 为溶剂， 生成 catena-poly[[[triaquacadmium(II)]-μ-acetylenedicarboxylato-κ4O,O':O'',O''']hydrate]
  参考文献：
  名称：

  [Cd{C₂(COO)₂}(H₂O)₃]·H₂O, the first cadmium salt of acetylenedicarboxylic acid

  摘要：

  In catena-poly[[[triaquacadmium(II)]-mu-acetylenedicarboxylato-kappa(4) O,O':O",O'''] hydrate], {[Cd(C4O4)(H2O)(3)].H2O}(n), the Cd-II atom is coordinated by two bidentate carboxylate groups and three water molecules, thus forming a sevenfold coordination polyhedron with all atoms located on general sites. These polyhedra are connected by the bifunctional acetylenedicarboxylate ligands, forming zigzag chains running parallel to [120]. Hydrogen bonds, which involve the non-coordinated water molecule, connect these chains to form a three-dimensional framework.

  DOI：

  10.1107/s0108270102014658