[Ni2(hexamethylenetetramine)((i-C4H9)2PS2)4] | 477192-31-7

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: [Ni2(hexamethylenetetramine)((i-C4H9)2PS2)4]
• 英文别名: bis(2-methylpropyl)-sulfanylidene-sulfido-λ5-phosphane;nickel(2+);1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
• CAS: 477192-31-7
• 化学式: C₃₈H₈₄N₄Ni₂P₄S₈
• 分子量: 1094.91
• InChiKey: LNPXJSAUXGBVPT-UHFFFAOYSA-J

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：

  Ni(II)(diisobutyldithiophosphinate)2 、 乌洛托品 以 乙醇 为溶剂， 以14%的产率得到[Ni2(hexamethylenetetramine)((i-C4H9)2PS2)4]
  参考文献：
  名称：

  摘要：

  The paramagnetic compounds [Ni-2(HMTA)(i-BU2PS2)(4)](I) and [Ni-2(TEDA)(i-Bu2PS2)(4)] (II) (mu(eff) = 3.11 and 3.23 mu(B), respectively) were synthesized by reacting diamagnetic Ni(i-Bu2PS2)(2) with hexamethylenetetramine (HMTA) and triethylenediamine (TEDA) in ethanol. The crystal structure of I was established by single-crystal X-ray diffraction analysis (CAD4 diffractometer, MoKalpha radiation, 1483 F-hkl, R = 0.0648). The crystals are monoclinic: a = 35.212(7) Angstrom, b = 9.313(2) Angstrom, c = 22.622(5) Angstrom; P = 129.97(3)degrees, V = 5685(2) Angstrom(3), Z = 4, p(calcd) = 1.281 g/cm(3), space group C2/c. The structure is built of discrete binuclear molecules. The coordination polyhedron of the Ni atom is a distorted tetragonal pyramid with four S atoms of two bidentate cyclic ligands i-Bu2PS2- in the base and the N atom of the bidentate bridging ligand HMTA at the axial vertex. Complexes I and II have similar electronic reflection spectra, which agrees with the C-4v, symmetry of the ligand field.

  DOI：

  10.1023/a:1019757629587