| 187386-92-1

• CAS: 187386-92-1
• 化学式: I₁₂Nb₂Se₄Te₄
• 分子量: 2534.91
• InChiKey: URGUVFGUXNORKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.58
• 重原子数：
  22.0
• 可旋转键数：
  0.0
• 环数：
  16.0
• 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：
  0.0

反应信息

• 作为产物：
  描述：

  碲化氢 、 、 碘 以 neat (no solvent) 为溶剂， 以99%的产率得到
  参考文献：
  名称：

  Synthesis and structure of Nb2(μ2-Se2)2(Te2I6)2

  摘要：

  Compound Nb-2(mu(2)-Se-2)(Te2I6)(2) was obtained in high yield by high-temperature reaction (500 degrees C) of the dinuclear cluster complex Nb-2(mu(2)-Se-2)(2)I-4 with Te and I-2 in a 1:4:4 ratio. The structure of Nb2Se4Te4I12 has been determined by single-crystal X-ray diffraction. It is characterized by the presence of isolated molecules of [Nb-2(mu(2)-Se-2)(2)(Te2I6)(2)]. The inner skeleton is formed by a dinuclear [Nb-2(mu(2)-Se-2)(2)](4+) fragment with a Nb-Nb distance of 2.926(2) Angstrom; the Se-Se distances are 2.310(2) and 2.311(2) Angstrom. Each Nb atom is ligated (formally) by Te2I62- ligands. The terminal Te-I distances in the Te2I62- ligands range from 2.735(2) to 2.786(2) Angstrom. The bridging Te-I distances are rather long, ranging from 3.175(1) to 3.261(2) Angstrom. Copyright (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(96)00419-6