tetraphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III) | 1159218-85-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tetraphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III)
• CAS: 1159218-85-5
• 化学式: C₆AuS₁₀*C₂₄H₂₀P
• 分子量: 929.089
• InChiKey: FUXGQFZYEOWVIM-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  9.0
• 重原子数：
  42.0
• 可旋转键数：
  4.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  tetraphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III) 、 丙酮 以 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
• 作为产物：
  描述：

  sodium tetrachloroaurate(III) dihyrate 、 四苯基溴化膦 、 4,5-(furoylsulfanyl)-1,3-dithiole-2-thione 在 Na 、 MeOH 作用下， 以 甲醇 为溶剂， 生成 tetraphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III)
  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