trichloro[(trichlorophoranylidene)iminio]phosphorus(V) hexachloroniobate | 476170-07-7

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 其他非金属卤化物
• 英文名称: trichloro[(trichlorophoranylidene)iminio]phosphorus(V) hexachloroniobate
• 英文别名: bis(trichlorophosphine)iminium hexachloroniobate；niobium(5+);trichloro-[(trichloro-λ5-phosphanylidene)amino]phosphanium;hexachloride
• CAS: 476170-07-7
• 化学式: Cl₆NP₂*Cl₆Nb
• 分子量: 594.297
• InChiKey: VSNCTLKZTPPXRU-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  -11.94
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  trichloro[(trichlorophoranylidene)iminio]phosphorus(V) tetrachloroborate 、 五氯化铌 以 二氯甲烷 为溶剂， 生成 trichloro[(trichlorophoranylidene)iminio]phosphorus(V) hexachloroniobate
  参考文献：
  名称：

  Bis(trichlorophosphine)iminium salts, [Cl₃P=N=PCl₃]⁺, with transition metal halide counter-ions

  摘要：

  The structures of four bis(trichlorophosphine)iminium {[Cl3P=N=PCl3](+); systematic name: trichloro[(trichlorophosphoranylidene)iminio]phosphorus(V)} salts, namely bis(trichlorophosphine)iminium hexachloroniobate, (Cl6NP2)[NbCl6], (I), bis(trichlorophosphine)iminium hexachlorotantalate, (Cl6NP2)[TaCl6], (II), bis(trichlorophosphine)iminium tri-mu-chloro-bis[trichlorotitanium(IV)], (Cl6NP2)[Ti2Cl9], (III), and bis[bis(trichlorophosphine)iminium] di-mu-chloro-bis[tetrachlorozirconium(IV)], (Cl6NP2)(2) [Zr2Cl10], (IV), have been determined. The P=N distances in the discrete [Cl3P=N=PCl3](+) moieties in structures (I), (II) and (IV) range from 1.5460 (14) to 1.5554 (16) Angstrom, and the P=N=P angles range from 136.8 (3) to 143.4 (4)degrees. The [Cl3P=N=PCl3](+) cation in (III) is disordered and the calculated geometries for the cation are therefore less reliable. Compounds (I) and (II) are isostructural and the metal anions have slightly distorted octahedral geometries. The anion in compound (III) consists of two distorted octahedral Ti centres linked by three mu(2)-Cl atoms, while in compound (IV), the dianion is derived from two distorted edge-shared ZrCl6 octahedra.

  DOI：

  10.1107/s0108270102012532