[Fe2O(2,4,6-tris(2-pyridyl)-1,3,5-triazine)(dicyanamide)2(NO3)2] | 939972-84-6

• 英文名称: [Fe2O(2,4,6-tris(2-pyridyl)-1,3,5-triazine)(dicyanamide)2(NO3)2]
• 英文别名: [Fe2O(tptz)2(dca)2(NO3)2]
• CAS: 939972-84-6
• 化学式: C₄₀H₂₄Fe₂N₂₀O₇
• 分子量: 1008.45
• InChiKey: KEVCPMPRUORFSW-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

• 作为产物：
  描述：

  Iron(III) nitrate nonahydrate 、 2,4,6-三(2-吡啶基)三嗪 、 sodium dicyanamide 以 甲醇 、 水 为溶剂， 以81%的产率得到[Fe2O(2,4,6-tris(2-pyridyl)-1,3,5-triazine)(dicyanamide)2(NO3)2]
  参考文献：
  名称：

  Isolation of a singly oxo-bridged Fe(III) dinuclear complex: Synthesis, crystal structure, spectroscopic and magnetic studies

  摘要：

  The mu-oxo dinuclear complex {Fe2O(tptz)(2)[N(CN)(2)](2)(NO3)(2)} (1) (where tptz = 2,4,6-tris(2-pyridyl)-1,3,5-triazine) has been synthesised and characterised by elemental analysis, FT-IR, UV-vis, cyclic voltammetry, Mossbauer spectroscopy, and variable-temperature magnetic susceptibility measurements and single crystal X-ray diffraction. The iron centres have a pentagonal-bipyramidal geometry. The dimeric neutral complex exhibits typical Fe-mu-O bond lengths of 1.763(1) angstrom and a bridge angle of 180.00 degrees. The Fe center dot center dot center dot Fe separation is 3.526(3) angstrom. The Mossbauer spectrum at room temperature consists of one quadrupole doublet with an isomer shift of 0.41 mm/s and a quadrupole splitting of 1.12 mm/s. Variable-temperature magnetic susceptibility measurements have been measured in the temperature range 300-2 K, revealing an intramolecular antiferromagnetic coupling (J = -211.6 cm(-1)). (C) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.11.015