benzyltriphenylphosphonium trans-diamminetetranitrocobaltate(III) | 1080022-88-3

• 英文名称: benzyltriphenylphosphonium trans-diamminetetranitrocobaltate(III)
• CAS: 1080022-88-3
• 化学式: C₂₅H₂₂P*CoH₆N₆O₈
• 分子量: 630.5
• InChiKey: QCDFNDODDPBALE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  三苯基苄基溴化膦 、 potassium tetranitrodiamminecobaltate 以 水 为溶剂， 以87%的产率得到benzyltriphenylphosphonium trans-diamminetetranitrocobaltate(III)
  参考文献：
  名称：

  Second sphere coordination complex via hydrogen bonding: Synthesis, spectroscopic studies of [(C6H5)3RP][trans-Co(NH3)2(NO2)4] where R=benzyl, phenyl or ethyl and X-ray crystal structure of [(C6H5)4P][trans-Co(NH3)2(NO2)4]

  摘要：

  Yellow colored precipitates of [(C6H5)(3)RP][trans-Co(NH3)(2)(NO2)(4)], where R = benzyl, phenyl or ethyl were obtained by reacting equimolar quantities of K[trans-Co(NH3)(2)(NO2)(4)] and [(C6H5)(3)RP]Br, where R = benzyl, phenyl or ethyl in aqueous medium at room temperature. The salt [(C6H5)(4)P][trans:Co(NH3)(2)(NO2)(4)] crystallized from acetone-methanol mixture in monoclinic space group P2(1)/n having cell dimensions a = 7.013(1) angstrom, b = 17.111 (1) angstrom, c = 22.958(3) angstrom, 13 = 98.06(1)degrees, V = 2727.7(6) angstrom(3), Z = 4, R-1 = 0.0485 and wR(2) = 0.1263. X-ray structure determination revealed the presence of discrete ions, [(C6H5)(4)P](+) and [trans-Co(NH3)(2)(NO2)(4)](-). The constituent ions are held together by hydrogen bonding interactions involving second sphere coordination besides electrostatic forces of interaction. (C) 2008 Published by Elsevier B.V.

  DOI：

  10.1016/j.molstruc.2007.11.060