pentaosmium(carbonyl)18(tert-butyl isocyanide) | 154202-92-3

• 英文名称: pentaosmium(carbonyl)18(tert-butyl isocyanide)
• CAS: 154202-92-3
• 化学式: C₂₃H₉NO₁₈Os₅
• 分子量: 1538.32
• InChiKey: KKSCYSPSBLDIBR-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：

  pentaosmium(carbonyl)18(tert-butyl isocyanide) 以 二氯甲烷 为溶剂， 以100%的产率得到pentaosmium(carbonyl)17(tert-butyl isocyanide)
  参考文献：
  名称：

  Pentaosmium羰基簇中叔丁基异氰酸酯配体的位置偏好。Os5（CO）18（CNBut）和Os5（CO）15（CNBut）的晶体结构

  摘要：

  The cluster Os5(CO)18(CNBu(t)) (1) was prepared by the addition of Os(CO)4(CNBu(t)) to Os4(CO)14 in CH2Cl2 at room temperature. The X-ray structure determination of 1 reveals a bow-tie arrangement of osmium atoms (the Os-Os lengths range from 2.839(1) to 2.940(1) angstrom); the isocyanide ligand occupies an axial site on an outer osmium atom. Pyrolysis of 1 in solution at 44-47-degrees-C provided Os5(CO)17(CNBu(t)) (2) which by analogy to Os5(CO)18 and Os5(CO)17(PMe3) probably has a raft configuration of metal atoms. Pyrolysis of 2 in solution at 65-70-degrees-C yielded Os5(CO)15(CNBu(t)) (3). The structure of 3 consists of a somewhat distorted trigonal bipyramidal configuration of osmium atoms with the Os-Os lengths in the range 2.748(1)-2.915(1) angstrom. The CNBu(t) ligand occupies the site that is believed to be the sterically most crowded site within the molecule, namely, coordinated to the osmium atom that has four terminal ligands and lying approximately in the equatorial OS3 plane of the trigonal bipyramid. The site preference of the CNBu(t) ligand in these clusters is believed to be dictated by electronic rather than steric considerations. Crystallographic data for compound 1: space group P1BAR; a = 9.079(1) angstrom, b = 12.065(2) angstrom, c = 15.757(2) angstrom, alpha = 76.36(1)degrees, beta = 76.63(1)degrees gamma = 77.86(1)degrees; R = 0.021, 3355 observed reflections. For compound 3: space group P2(1)/n, a = 9.048(1) angstrom, b = 18.389(2) angstrom, c = 17.759(2) angstrom, beta = 102.65(1)degrees; R = 0.025, 3240 observed reflections.

  DOI：

  10.1021/om00016a015
• 作为产物：
  描述：

  Carbonyl osmium 、 Os(CO)4(tert-butyl isocyanide) 以 二氯甲烷 为溶剂， 以78%的产率得到pentaosmium(carbonyl)18(tert-butyl isocyanide)
  参考文献：
  名称：

  Pentaosmium羰基簇中叔丁基异氰酸酯配体的位置偏好。Os5（CO）18（CNBut）和Os5（CO）15（CNBut）的晶体结构

  摘要：

  The cluster Os5(CO)18(CNBu(t)) (1) was prepared by the addition of Os(CO)4(CNBu(t)) to Os4(CO)14 in CH2Cl2 at room temperature. The X-ray structure determination of 1 reveals a bow-tie arrangement of osmium atoms (the Os-Os lengths range from 2.839(1) to 2.940(1) angstrom); the isocyanide ligand occupies an axial site on an outer osmium atom. Pyrolysis of 1 in solution at 44-47-degrees-C provided Os5(CO)17(CNBu(t)) (2) which by analogy to Os5(CO)18 and Os5(CO)17(PMe3) probably has a raft configuration of metal atoms. Pyrolysis of 2 in solution at 65-70-degrees-C yielded Os5(CO)15(CNBu(t)) (3). The structure of 3 consists of a somewhat distorted trigonal bipyramidal configuration of osmium atoms with the Os-Os lengths in the range 2.748(1)-2.915(1) angstrom. The CNBu(t) ligand occupies the site that is believed to be the sterically most crowded site within the molecule, namely, coordinated to the osmium atom that has four terminal ligands and lying approximately in the equatorial OS3 plane of the trigonal bipyramid. The site preference of the CNBu(t) ligand in these clusters is believed to be dictated by electronic rather than steric considerations. Crystallographic data for compound 1: space group P1BAR; a = 9.079(1) angstrom, b = 12.065(2) angstrom, c = 15.757(2) angstrom, alpha = 76.36(1)degrees, beta = 76.63(1)degrees gamma = 77.86(1)degrees; R = 0.021, 3355 observed reflections. For compound 3: space group P2(1)/n, a = 9.048(1) angstrom, b = 18.389(2) angstrom, c = 17.759(2) angstrom, beta = 102.65(1)degrees; R = 0.025, 3240 observed reflections.

  DOI：

  10.1021/om00016a015