tetraphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III) acetone solvate | 1159218-86-6

• 英文名称: tetraphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III) acetone solvate
• CAS: 1159218-86-6
• 化学式: C₃H₆O*C₆AuS₁₀*C₂₄H₂₀P
• 分子量: 987.169
• InChiKey: VOZRUDVOLFEYRM-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  46.0
• 可旋转键数：
  4.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  四苯基溴化膦 在 Na 、 MeOH 作用下， 以 甲醇 、 丙酮 为溶剂， 生成 tetraphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III) acetone solvate
  参考文献：
  名称：

  Tetraphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III) acetone solvate and ethyltriphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III)

  摘要：

  In the two title complexes, (C24H20P)[Au(C3S5) 2] center dot C3H6O, (I), and (C20H20P)[Au(C3S5)(2)], (II), the Au III atoms exhibit square-planar coordinations involving four S atoms from two 2-thioxo-1,3-dithiole-4,5-dithiolate (dmit) ligands. The Au-S bond lengths, ranging from 2.3057 (8) to 2.3233 (7) angstrom in (I) and from 2.3119 (8) to 2.3291 (10) angstrom in (II), are slightly smaller than the sum of the single- bond covalent radii. In (I), there are two halves of independent Ph4P+ cations, in which the two P atoms lie on twofold rotation axis sites. The Ph4P+ cations and [Au(C3S5)(2)]. anions are interspersed as columns in the packing. Layers composed of Ph4P+ and [Au(C3S5)(2)]. are separated by layers of acetone molecules. In (II), the [Au(C3S5)(2)]. anions and EtPh3P+ counter-cations form a layered arrangement, and the [Au(C3S5)(2)]. anions form discrete pairs with a long intermolecular Au center dot center dot center dot S interaction for each Au atom in the crystal structure.

  DOI：

  10.1107/s010827010706074x