pentane-1,3-diaminium bis((hydroxyoxidophosphoryl)oxy)iron(III) fluoride | 603105-60-8

• 英文名称: pentane-1,3-diaminium bis((hydroxyoxidophosphoryl)oxy)iron(III) fluoride
• CAS: 603105-60-8
• 化学式: C₅H₁₆N₂*FFeH₂O₈P₂
• 分子量: 370.999
• InChiKey: MWFRJQBEMKGEAD-UHFFFAOYSA-K

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：

  iron(III)-acetylacetonate 、 磷酸 、 氢氟酸 、 1,3-二氨基戊烷 以 水 为溶剂， 生成 pentane-1,3-diaminium bis((hydroxyoxidophosphoryl)oxy)iron(III) fluoride
  参考文献：
  名称：

  Synthesis, structure and magnetic characterization of a one-dimensional iron phosphate,

  摘要：

  The hydrothermal synthesis, structure and magnetic studies of a one-dimensional iron fluro-phosphate, [NH3CH2CH2CH(NH3)CH2CH3](proportional to)(2+1)[FeF(HPO4)(2)](2-), I, is presented. The structure, solved by single-crystal X-ray diffraction, consists of isolated (1)(proportional to)[FeF(HPO4)(2)](2-) chains of the tancoite type with diprotonated amine molecules situated in between. Magnetic studies indicate anti-ferromagnetic interactions. Crystal data: space group = P2(1)/m (no. 12), a = 8.846(2) Angstrom, b = 7.211(1) Angstrom, c = 9.893(2) Angstrom, beta = 97.10(3)degrees, V = 626.2(2) Angstrom(3), Z = 4, rho(cale) = 1.968 g cm(-3), mu(MoKalpha) = 1.511 mm(-1), R-1 = 0.044, wR(2) = 0.099, S = 1.016 for 134 parameters. (C) 2003 Elsevier Science (USA). All rights reserved.

  DOI：

  10.1016/s0022-4596(03)00113-0