cis-tetracarbonylbis[tris(p-fluorophenyl)phosphine]molybdenum(0) | 22258-84-0

• 英文名称: cis-tetracarbonylbis[tris(p-fluorophenyl)phosphine]molybdenum(0)
• 英文别名: carbon monoxide;molybdenum;tris(4-fluorophenyl)phosphane
• CAS: 22258-84-0
• 化学式: C₄₀H₂₄F₆MoO₄P₂
• 分子量: 840.506
• InChiKey: TVLCXLNOLFRROA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.57
• 重原子数：
  53
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  4
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  (bicyclo[2.2.1]hepta-2,5-diene)tetracarbonylmolybdenum(0) 、 三(4-氟苯基)磷化氢 以 二氯甲烷 为溶剂， 生成 cis-tetracarbonylbis[tris(p-fluorophenyl)phosphine]molybdenum(0)
  参考文献：
  名称：

  cis-Tetracarbonylbis[tris(p-fluorophenyl)phosphine]molybdenum(0)

  摘要：

  The molecule cis-tetracarbonylbis[tris(p-fluorophenyl)phosphine]molybdenum(0), [ Mo(C18H12F3P)2(CO)4], has twofold crystallographic symmetry; the Mo geometry is irregular octahedral, with principal dimensions Mo-P 2.5644 (4), Mo-C (trans to P) 1.9869 (16), Mo-C (trans to C) 2.0310 (18) angstrom, P-Mo-P 107.33 (1), trans-P-Mo-C 166.76 (5) and trans-C-Mo-C 174.31 (8)-degrees. The P geometry is irregular tetrahedral, with enlarged Mo-P-C [average 115-94 (5)-degrees] and reduced C-P-C [average 102.22 (7)-degrees] angles. Mo-95 NMR chemical shift data are in accord with the observed structure.

  DOI：

  10.1107/s0108270193014052