(18-crown-6)potassium dibromodichloroferrate(III) | 1186467-02-6

• 英文名称: (18-crown-6)potassium dibromodichloroferrate(III)
• CAS: 1186467-02-6
• 化学式: Br₂Cl₂Fe*C₁₂H₂₄O₆*K
• 分子量: 589.978
• InChiKey: DRBLSRFUQMAFBM-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  氢溴酸 、 以 乙醇 、 水 为溶剂， 生成 (18-crown-6)potassium dibromodichloroferrate(III)
  参考文献：
  名称：

  (18-Crown-6)potassium tetrachloroferrate(III), dibromodichloroferrate(III), and tetrabromoferrate(III): Synthesis and crystal structures

  摘要：

  Three new crystalline complexes are synthesized: [K(18-crown-6)](+) . An, where An = [FeCl4](-)(I), [FeBr2Cl2](-) (II), and [FeBr4](-) (III). The crystals of compounds I-III are cubic and isomorphic, space group Fd (3) over bar (Z = 16): a = 20.770(2) angstrom for I, 20.844(3) angstrom for II, and 20.878(4) angstrom for III. Structures I - III are solved by a direct method and refined by the full-matrix least-squares method in the anisotropic approximation to R = 0.047 (I), 0.059 (II), and 0.098 (III) for all 680 (I), 684 (II), and 686 (III) independent reflections. In two tetrahedral anions [Fe(1)X-4](-) and [Fe(2)X-4](-) in structures I-III, all halogen atoms (X = Cl and Br) are randomly disordered over three close positions relative to the crystallographic axes 3. Structures I-III contain the [K(18crown-6)](+) host-quest complex cation. The K+ cation (CN = 8) resides in the cavity of the 18-crown-6 ligand and coordinated by its six O atoms and two disordered halogen X atoms. The coordination polyhedron of the K+ cation in complexes I-III is a distorted hexagonal bipyramid.

  DOI：

  10.1134/s0036023608090192