di-μ-aqua-bis[(trimethanol-O)sodium] anti-bis(μ-2-propanethiolato-S:S)bis[bis(2-propanethiolato-S)iron(II)] | 238096-91-8

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: di-μ-aqua-bis[(trimethanol-O)sodium] anti-bis(μ-2-propanethiolato-S:S)bis[bis(2-propanethiolato-S)iron(II)]
• 英文别名: disodium;iron(2+);methanol;propane-2-thiolate;dihydrate
• CAS: 238096-91-8
• 化学式: C₆H₂₈Na₂O₈*C₁₈H₄₂Fe₂S₆
• 分子量: 836.885
• InChiKey: IKBJLKBETJGPBQ-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  -4.35
• 重原子数：
  42
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  129
• 氢给体数：
  8
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  甲醇 、 iron(II) chloride tetrahydrate 、 2-丙烷硫醇钠 以 甲醇 为溶剂， 生成 di-μ-aqua-bis[(trimethanol-O)sodium] anti-bis(μ-2-propanethiolato-S:S)bis[bis(2-propanethiolato-S)iron(II)]
  参考文献：
  名称：

  Di-μ-aqua-bis[(trimethanol-O)sodium]anti-bis(μ-2-propanethiolato-S:S)bis[bis(2-propanethiolato-S)iron(II)] and bis(benzyltrimethylammonium)anti-bis(μ-2-propaneselenolato-Se:Se)bis[bis(2-propaneselenolato-Se)iron(II)]

  摘要：

  In the [Fe-2((SC3H7)-C-i)(6)](2-) and [Fe-2((SeC3H7)-C-i)(6)](2-) complex anions of the title compounds, [Na-2(CH4O)(6)(H2O)(2)][Fe-2(C3H7S)(6)] and (C10H16N)(2)[Fe-2(C3H7Se)(6)], the Fe atoms are coordinated by four chalcogen atoms in a distorted tetrahedral fashion. The FeE4 tetrahedra of the Fe2E6 frameworks (E = S or Se) share a common edge. The central Fe2E2 unit is an exactly planar rhomb with acute M-E-M angles. The oxidation state of iron is +2. The [Fe-2(S2C3H7)(6)](2-) anion was crystallized with the novel counter-cation [(MeOH)(3)Na(H2O)(2)Na(MeOH)(3)](2+).

  DOI：

  10.1107/s0108270199003704