[Co2(HMTA)(iso-Bu2PS2)4] | 1296868-97-7

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: [Co2(HMTA)(iso-Bu2PS2)4]
• 英文别名: Co2(diisobutyldithiophosphinate)4(hexamethylenetetramine)
• CAS: 1296868-97-7
• 化学式: C₃₈H₈₄Co₂N₄P₄S₈
• 分子量: 1095.52
• InChiKey: RNGLWCXZOQGSLF-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  cobalt(II) diisobutyldithiophosphinate 、 乌洛托品 以 乙醇 为溶剂， 以76%的产率得到[Co2(HMTA)(iso-Bu2PS2)4]
  参考文献：
  名称：

  Synthesis and crystal structures of binuclear complexes of cobalt(II) and cadmium(II) diisobutyldithiophosphinates with hexamethylenetetramine

  摘要：

  Heteroligand complexes [Co(2)(HMTA)(iso-Bu(2)PS(2))(4)] (I) (mu(eff) = 4.67 mu B) and [Cd(2)(HMTA)(iso-Bu(2)PS(2))(4)] (II) have been synthesized. Single crystals of compounds I and II have been obtained. The crystals are monoclinic: a = 32.622(2) , b = 9.4891(6) , c = 21.7570(13) , beta = 125.774(1)(o), V = 5464.3(6) ,(3), Z = 4, rho(calcd) = 1.331 g/cm(3) for I; a = 34.6092(7) , b = 9.5595(2) , c = 22.3473(5) , beta = 127.144(1)(o), V = 5893.5(2) , Z = 4, rho(calcd) = 1.355 g/cm(3) for II; space group for both complexes C2/c. Structures I and II are based on discrete binuclear molecules. The coordination polyhedra of the Co and Cd atoms are distorted tetragonal pyramids NS(4), with the bases formed by four S atoms of two bidentate chelating ligand iso-Bu(2)PS (2) (-) and the axial vertices occupied by N atoms of bidentate bridging HMTA ligand. The character of interaction of the molecules in structures I and II is considered.

  DOI：

  10.1134/s0036023610010110