oxalatobis[(3,4,8,9,13,14-hexaethyl-2,15-dimethyltripyrrinato)nickel(II)] | 700819-69-8

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: oxalatobis[(3,4,8,9,13,14-hexaethyl-2,15-dimethyltripyrrinato)nickel(II)]
• CAS: 700819-69-8
• 化学式: C₅₈H₇₆N₆Ni₂O₄
• 分子量: 1038.66
• InChiKey: SGZZIJBLJHEMOT-VXRLIIIFSA-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：

  3,4,8,9,13,14-hexaethyl-2,15-dimethyltripyrrin trifluoroacetate 、 sodium oxalate 、 nickel diacetate 以 甲醇 为溶剂， 以12%的产率得到oxalatobis[(3,4,8,9,13,14-hexaethyl-2,15-dimethyltripyrrinato)nickel(II)]
  参考文献：
  名称：

  Structural diversity in five-coordinate nickel(II) complexes of the tripyrrin ligand

  摘要：

  Three different five coordinate nickel(II) complexes of tripyrrin ligands with chloro, oxalato and nitrato anionic ligands were obtained by ligand exchange reactions from respective trifluoroacetato species prepared in situ. Crystallographic studies of these compounds revealed different coordination geometries as well as different packing pattern. In the solid, the chloride complex accepts one water ligand to form a distorted trigonal bipyramid with two N donor centers in apical and one in an equatorial position. The molecules are organized in the crystal via hydrogen bonds, resulting in endless chains. Oxalate serves as a bridging ligand between two nickel(II) tripyrrins. Again the coordination of nickel(II) is found to be trigonal bipyramidal but with two equatorial and one apical nitrogen donors. The discrete dinuclear complexes are arranged in the crystal in a way as to form channels filled with toluene molecules. The nitrate species displays a eta(2) bound nitrate ligand and short contacts between the nickel(II) center and an ethyl substituent of a neighboring molecule. The complex shows an unusually distorted molecular structure and unexpected differences in the two Ni-O bond lengths. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.12.021