bismuth(III) hexa(isothiocyanato)ferrate(III) | 1370335-22-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: bismuth(III) hexa(isothiocyanato)ferrate(III)
• CAS: 1370335-22-0
• 化学式: Bi*C₆FeN₆S₆
• 分子量: 613.33
• InChiKey: TZYDVDGADKHLQP-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  bismuth(III) hexa(isothiocyanato)ferrate(III) 、 二甲基亚砜 以 二甲基亚砜 为溶剂， 生成 bismuth(III) hexa(isothiocyanato)ferrate octa(dimethyl sulfoxide)
  参考文献：
  名称：

  Syntheses and crystal structures of [Bi(DMSO)8][Fe(NCS)6] and [Al(DMSO)6][Al(NCS)6]

  摘要：

  New complexes of composition [Bi(DMSO)(8)][Fe(NCS)(6)] (1) and [Al(DMSO)(6)][Al(NCS)(6)] (2) have been prepared, and an octahedral hexarodanoaluminate anion has been structurally characterized for the first time. Crystals of compound 1 are triclinic, space group P(1)over bar, a = 11.2368(4) , b = 11.4063(4) , c = 21.0711(9) , alpha = 92.9520(10)A degrees, beta = 99.9430(10)A degrees, gamma = 111.9290(10)A degrees, V = 2447.69(16) (3), Z = 2, rho(calc) = 1.680 g/cm(3), R (1) = 0.0564; crystals of compound 2 are cubic, space group Pa(30 over bar, a = 15.8201(4) , V = 3959.39(17) (3), Z = 4, rho(calc) = 1.462 g/cm(3), R (1) = 0.0475. The bismuth coordination polyhedron BiO8 in compound 1 is a distorted square antiprism with broken square faces (Bi-O, 2.368-2.582 ). In the structure of 2, the cation disordered in a complex manner has an octahedral configuration (Al-O, 1.888(11)-1.912(11) ).

  DOI：

  10.1134/s0036023612030084
• 作为产物：
  描述：

  Iron(III) nitrate nonahydrate 、 sodium hexathiocyanatobismuthate(III) 以 丙酮 为溶剂， 生成 bismuth(III) hexa(isothiocyanato)ferrate(III)
  参考文献：
  名称：

  Syntheses and crystal structures of [Bi(DMSO)8][Fe(NCS)6] and [Al(DMSO)6][Al(NCS)6]

  摘要：

  New complexes of composition [Bi(DMSO)(8)][Fe(NCS)(6)] (1) and [Al(DMSO)(6)][Al(NCS)(6)] (2) have been prepared, and an octahedral hexarodanoaluminate anion has been structurally characterized for the first time. Crystals of compound 1 are triclinic, space group P(1)over bar, a = 11.2368(4) , b = 11.4063(4) , c = 21.0711(9) , alpha = 92.9520(10)A degrees, beta = 99.9430(10)A degrees, gamma = 111.9290(10)A degrees, V = 2447.69(16) (3), Z = 2, rho(calc) = 1.680 g/cm(3), R (1) = 0.0564; crystals of compound 2 are cubic, space group Pa(30 over bar, a = 15.8201(4) , V = 3959.39(17) (3), Z = 4, rho(calc) = 1.462 g/cm(3), R (1) = 0.0475. The bismuth coordination polyhedron BiO8 in compound 1 is a distorted square antiprism with broken square faces (Bi-O, 2.368-2.582 ). In the structure of 2, the cation disordered in a complex manner has an octahedral configuration (Al-O, 1.888(11)-1.912(11) ).

  DOI：

  10.1134/s0036023612030084