| 143858-23-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 143858-23-5
• 化学式: C₁₆H₃₆N*C₁₈H₇F₁₀N₄Pt
• 分子量: 906.813
• InChiKey: XYWDRMRUTXWTSP-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  以 neat (no solvent, solid phase) 为溶剂， 生成 {NBu4}2{(Pt(C6F5)2(μ-pz))2}
  参考文献：
  名称：

  钯（II）和铂（II）的单核吡唑基配合物的合成和表征。[NBu4] [M（C6F5）2（吡唑）（吡唑并）的晶体结构]（M = Pd，Pt）

  摘要：

  Pyrazolyl complexes of the types [MR2(HX)2] (M = Pd, R = C6F5, HX = pyrazole (Hpz) (1), 3,5-dimethylpyrazole (Hdmpz) (2); M = Pd, R = C6CI5, HX = Hpz (3), Hdmpz (4); M = Pt, R = C6F5, HX = Hpz (5), Hdmpz (6); M = Pt, R = C6Cl5, HX = Hdmpz (7)) and [NBu4][M(C6F5)2Cl(Hpz)] (M = Pd (8), Pt (9)) have been prepared by reaction of cis-[MR2(PhCN)2] and [NBu4]2[{M(C6F5)2(mu-Cl)}2], respectively, with HX (1:2 mole ratio). Deprotonation by NBu4OH of complexes 1, 3, and 5, and 6 leads to the formation of the pyrazole-pyrazolato complexes [NBU4] [MR2X(HX)] (M = Pd, X = pz, R = C6F5 (10), C6Cl5 (11); M = Pt, R = C6F5, X = pz (12), dmpz (13); M = Pt, R = CrC15, X = pz (14)). The IR and NMR data for complexes 10-14 show that both pyrazolyl ligands are identical, and the X-ray structure determinations of 10 and 12 have established the existence of a intramolecular hydrogen bond between the two pyrazolyl rings, the coordination at palladium and platinum being essentially square planar. The structures are isomorphous, and both compounds are tetragonal, space group P4(3)2(1)2. Crystal data for 10: a = b = 17.022 (2) angstrom, c = 12.466 (3) angstrom, Z = 4, 2146 reflections, R = 0.045. Crystal data for 12: a = b = 17.088 (2) angstrom, c = 12.466 (4) angstrom, Z = 4, 2540 reflections, R = 0.029.

  DOI：

  10.1021/om00060a027
• 作为产物：
  描述：

  cis-Pt(C6F5)2(PhCN)2 以 氯仿 、 水 、 丙酮 为溶剂， 生成
  参考文献：
  名称：

  钯（II）和铂（II）的单核吡唑基配合物的合成和表征。[NBu4] [M（C6F5）2（吡唑）（吡唑并）的晶体结构]（M = Pd，Pt）

  摘要：

  Pyrazolyl complexes of the types [MR2(HX)2] (M = Pd, R = C6F5, HX = pyrazole (Hpz) (1), 3,5-dimethylpyrazole (Hdmpz) (2); M = Pd, R = C6CI5, HX = Hpz (3), Hdmpz (4); M = Pt, R = C6F5, HX = Hpz (5), Hdmpz (6); M = Pt, R = C6Cl5, HX = Hdmpz (7)) and [NBu4][M(C6F5)2Cl(Hpz)] (M = Pd (8), Pt (9)) have been prepared by reaction of cis-[MR2(PhCN)2] and [NBu4]2[{M(C6F5)2(mu-Cl)}2], respectively, with HX (1:2 mole ratio). Deprotonation by NBu4OH of complexes 1, 3, and 5, and 6 leads to the formation of the pyrazole-pyrazolato complexes [NBU4] [MR2X(HX)] (M = Pd, X = pz, R = C6F5 (10), C6Cl5 (11); M = Pt, R = C6F5, X = pz (12), dmpz (13); M = Pt, R = CrC15, X = pz (14)). The IR and NMR data for complexes 10-14 show that both pyrazolyl ligands are identical, and the X-ray structure determinations of 10 and 12 have established the existence of a intramolecular hydrogen bond between the two pyrazolyl rings, the coordination at palladium and platinum being essentially square planar. The structures are isomorphous, and both compounds are tetragonal, space group P4(3)2(1)2. Crystal data for 10: a = b = 17.022 (2) angstrom, c = 12.466 (3) angstrom, Z = 4, 2146 reflections, R = 0.045. Crystal data for 12: a = b = 17.088 (2) angstrom, c = 12.466 (4) angstrom, Z = 4, 2540 reflections, R = 0.029.

  DOI：

  10.1021/om00060a027

文献信息

• New Di- and Trinuclear Complexes with Pyrazolato Bridges. Crystal Structures of [{(C6F5)2Pd(μ-pz)(μ-Cl)}2Pd]2– and [(C6F5)2Pd(μ-pz)2Pd(η3-C4H7)] (pz = pyrazolate)
  作者：José Ruiz、Félix Florenciano、Miguel A. Sánchez、Gregorio López、M. Carmen Ramírez de Arellano、José Pérez

  DOI：10.1002/(sici)1099-0682(200005)2000:5<943::aid-ejic943>3.0.co;2-n

  日期：2000.5