Fe3(μ2-S)2(CO)6(2-)

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: Fe3(μ2-S)2(CO)6(2-)
• 化学式: C₆Fe₂O₆S₂
• 分子量: 343.888
• InChiKey: ZASGHTNFBVLVDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.23
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  cis-dichlorobis(triphenylphosphine)platinum(II) 、 Fe3(μ2-S)2(CO)6(2-) 以14%的产率得到{μ-(Ph3P)2PtS2}Fe2(CO)6
  参考文献：
  名称：

  Lesch, David A.; Rauchfuss, Thomas B., Journal of Organometallic Chemistry, 1980, vol. 199, # 1, p. C6 - C8

  摘要：

  DOI：

文献信息

• Synthesis, Structure, and Reactivity of Clusters Containing the [Mo₂O₂(μ-E)₂]²⁺ (E = O, S) Core and Coordinated [Fe₂S₂(CO)₆]²^- Units
  作者：Daniel E. Barber、Robert F. Bryan、Michal Sabat、Kurethara S. Bose、Bruce A. Averill

  DOI：10.1021/ic951124t

  日期：1996.1.1

  Three compounds containing the [Mo2O2(mu-E)(2)](2+) (E = O, S) cores ligated by [Fe2S2(CO)(6)](2-) have been prepared and structurally characterized: (Ph(4)As)(2)Mo2O2(mu-S)(2)[Fe2S2(CO)(6)]2} ((Ph(4)As)(2)I, triclinic, space group (No. 2), a = 14.266(12) Angstrom, b = 14.746(12) Angstrom, c = 16.643(15) Angstrom, alpha = 101.9(2)degrees, beta = 98.2(2)degrees, gamma = 99.1(2)degrees, Z = 2, R = R(w) = 0.058, 6196 reflections with I > 2.5 sigma(I)), (Ph(4)P)(2)Mo2O2(mu-O)(mu-S)[Fe2S2(CO)(6)](2)} ((Ph(4)P)(2) II, monoclinic, space group P2(1)/c (No. 14), a = 15.33(1) Angstrom, b = 15.10(1) Angstrom, c = 18.00(2) Angstrom, alpha = gamma = 90 degrees, beta = 100.6(5)degrees, Z = 2, R = 0.067, R(w) = 0.047, 3183 reflections with I > 3 sigma(I)), and (Ph(4)P)(2)Mo4O8(mu-OCH3)(2)[Fe2S2(CO)(6)](2)}. THF ((Ph(4)P)(2)III . THF, triclinic, space group (No. 2), a = 16.599(4) Angstrom, b = 16.963(4) Angstrom, c = 15.465(3) Angstrom, alpha = 113.90(2)degrees, beta = 102.06(2)degrees, gamma = 109.29(2)degrees, Z = 2, R = 0.044, R(w) = 0.066, 5043 reflections with I > 3 sigma(I)). Clusters I and II contain the cis-bis(oxomolybdenum) core bridged by either two sulfide ligands or one sulfide and one oxo ligand, respectively. Cluster III contains two cis-[Mo2O4](2+) cores connected by two methoxy bridges to give the [Mo4O8(mu-OCH3)(2)](2+) structural fragment. Clusters I and III undergo reactions with sulfide reagents to yield products that are indistinguishable from one another by IR spectroscopy, and the nature of the possible common product is discussed.