| 256662-42-7

• CAS: 256662-42-7
• 化学式: Cl₅H₃IrN*H₄N
• 分子量: 404.554
• InChiKey: AITBUMWTDSANOM-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：

  (NH4)2{IraCl5} 、 氯 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  Synthese und Struktur von Ammin- und Amidokomplexen des Iridiums

  摘要：

  The reaction of (NH4)(2)[IrCl6] with NH4Cl at 300 degrees C in a sealed glass ampoule yields the iridium(III) ammine complex (NH4)(2)[Ir(NH3)Cl-5], which crystallizes isotypically with K-2[Ir(NH3)Cl-5] in the orthorhombic space group Pnma with Z = 4, and a = 1350.0(2); b = 1028.5(3); c = 689.6(2) pm. The reaction of (NH4)(2)[IrCl6] with NH3 at 300 degrees C, however, gives the already known [Ir(NH3)(5)Cl]Cl-2 beside a small amount of [Ir(NH3)(4)Cl-2]Cl-2. In pure form [Ir(NH3)(5)Cl]Cl-2 is obtained by ammonolysis of (NH4)(2)[Ir(NH3)Cl-5] at 300 degrees C with NH3. [Ir(NH3)(4)Cl-2]Cl-2 crystallizes triclinic (P1, Z = 1, a = 660,2(3); b = 650,4(3); c = 711,1(2) pm; alpha = 103,85(2)degrees, beta = 114,54(3)degrees, gamma = 112,75(2)degrees). The structure contains Cl- anions and [Ir(NH3)(4)Cl-2](2+) cations with a trans position of the Cl atoms. Upon reaction of [Ir(NH3)(5)Cl]Cl-2 with Cl-2 one ammine ligand is eliminated yielding [Ir(NH3)(4)Cl-2]Cl, which is transformed to orthorhombic [Ir(NH3)(4)(OH2)Cl]Cl-2 (Pnma, Z = 4, a = 1335,1(3); b = 1047,9(2); c = 673,4(2) pm) by crystallization from water. In the octahedral complex [Ir(NH3)(4)(OH2)Cl](2+) the four ammine ligands have an equatorial position, whereas the Cl atom and the aqua ligand are arranged axial. Oxidation of (NH4)(2)[Ir(NH3)Cl-5] with Cl-2 at 330 degrees C affords the tetragonal Ir-IV complex (NH4)[Ir(NH3)Cl-5] (P4nc, Z = 2, a = 702.68(5); c = 912.89(9)pm). Its structure was determined using the powder diagram. Oxidation of (NH4)(2)[Ir(NH3)Cl-5] with Br-2 in water, on the ether hand, gives (NH4)(2)[IrBr6] crystallizing in the K-2[PtCl6] type. Oxidation of (PPh4)(2)[Ir(NH3)Cl-5] with PhI(OAc)(2) in CH2Cl2 affords the Ir-V amido complex (PPh4)[Ir(NH2)Cl-5].

  DOI：

  10.1002/(sici)1521-3749(199912)625:12<2186::aid-zaac2186>3.3.co;2-7