([(n-BuSn)3(μ3-O)(OC6H5)3]2[HPO3]4) | 503454-05-5

• 英文名称: ([(n-BuSn)3(μ3-O)(OC6H5)3]2[HPO3]4)
• CAS: 503454-05-5
• 化学式: C₆₀H₈₈O₂₀P₄Sn₆
• 分子量: 1965.5
• InChiKey: JUXYGQVDOHCNLT-UHFFFAOYSA-A

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

• 作为产物：
  描述：

  亚磷酸二苯酯 、 丁基锡酸 以 甲苯 为溶剂， 以20%的产率得到([(n-BuSn)3(μ3-O)(OC6H5)3]2[HPO3]4)
  参考文献：
  名称：

  双 O 帽簇中锡的新结构形式

  摘要：

  通过 [n-BuSnO(OH)] 与 (PhO)2P(O)H 的反应组装了一种新型六聚有机氧锡笼 [{(n-BuSn)3(PhO)3O}2{HPO3}4]1。1 的结构由两个 O 封端的 Sn3 簇组成，这些簇通过四个桥接三足 [HPO3]2- 配体相互连接。

  DOI：

  10.1021/ja0287478

文献信息

• Organooxotin Cages, {[(<i>n</i>-BuSn)₃(μ₃-O)(OC₆H₄-4-X)₃]₂[HPO₃]₄}, X = H, Cl, Br, and I, in Double O-Capped Structures:  Halogen-Bonding-Mediated Supramolecular Formation
  作者：Vadapalli Chandrasekhar、Viswanathan Baskar、Kandasamy Gopal、Jagadese J. Vittal

  DOI：10.1021/om050269x

  日期：2005.10.1

  The reaction of n-BuSn(O)(OH) with H3PO3 and HOC6H4-4-X (X = H, Cl, Br, and I) afforded the hexanuclear organooxotin cages t[(n-BuSn)(3)(mu(3)-O)(OC6H4-4-X)(3)](2)[HPO3](4)}, where X = H (1), Cl (2), Br (3), and I (4), in moderate yields. These cages possess double O-capped structures. The oxotin cages 1-4 contain two tritin motifs that are joined by four tripodal [HPO3](2-) ligands. The three tin atoms in each tritin subunit are held together by a mu(3)-capping oxygen atom. In addition three phenolate oxygen atoms act as mu(2)-bridging ligands between two tin atoms. The molecular structures of 1-4 are intimately related to other organooxotin cages such as the O-capped cluster, the drum, and the football cage. The crystal structures of 2-4 reveal intermolecular halogen-bonding-mediated [X---O (X = Cl, Br), I --- I, and I--- pi] supramolecular assemblies.