unsym-[CoCl(N-methyl-1,4,7-triazacyclononane)(en)]ZnCl4 *H2O | 192119-52-1

• 英文名称: unsym-[CoCl(N-methyl-1,4,7-triazacyclononane)(en)]ZnCl4 *H2O
• CAS: 192119-52-1
• 化学式: C₉H₂₅ClCoN₅*Cl₄Zn*H₂O
• 分子量: 522.994
• InChiKey: HUFDYCOJJOYHEJ-UHFFFAOYSA-I

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：

  盐酸 、 Co(N-methyl-1,4,7-triazacyclononane)Cl3 、 乙二胺 、 zinc(II) chloride 以 水 为溶剂， 生成 unsym-[CoCl(N-methyl-1,4,7-triazacyclononane)(en)]ZnCl4 *H2O
  参考文献：
  名称：

  Anionopentaaminecobalt(III) complexes with polyamine ligands 28. The crystal structures of [CoCl(tacn)(en)]ZnCl4, [CoCl(tacn)(ampy)]ZnCl4·H2O, unsym-[CoCl(N-Metacn)(en)]-ZnCl4·H2O, trans-(R,S)-[CoCl(2,2,3-tet)(NH3)]ZnCl4 and unsym-fac-[CoCl(bn)(dien)]ZnCl4

  摘要：

  The structures of some [CoCl(N)(5)]ZnCl4 . xH(2)O complexes have been determined by single crystal X-ray diffraction. Only one isomeric form is possible for each of [CoCl(tacn) (en)]ZnCl4 (monoclinic P2(1)/c, a = 8.143(2), b = 13.001(2), c = 15.811(2) Angstrom, beta = 97.276(13)degrees, V = 1788.0(48) Angstrom(3), Z = 4) and [CoCl(tacn)(ampy)]ZnCl4 . H2O (monoclinic, Cc, a = 20.682(9), b = 7,730(3), c = 15.599(7), beta = 124.3(4)degrees, V = 2060.33(1.85) Angstrom(3), Z = 4) but [CoCl(N-Metacn) (en)]ZnCl4 . H2O (monoclinic, P2(1)/n, a = 12.4930(10), b = 9.685(3), c = 17.109(2), beta = 109.610(10)degrees, V = 1949.2(7) Angstrom(3), Z = 4) adopts the unsym configuration. [CoCl(dien) (bn)]ZnCl4 (monoclinic, P2(1)/n, a = 14.392(3), b = 7.849(2), c = 15.900(5) Angstrom, beta = 94.78(2)degrees, V = 1789.9(8) Angstrom(3), Z = 4) contains a seven-membered coordinated 1,4-butanediamine ring and the complex adopts the unsym-fac configuration. From the reaction between NH3(aq.) and trans-[CoCl2(2,2,3-tet)](+), conglomerate crystals of trans-(R,S)-[CoCl(2,2,3-tet) (NH3)]ZnCl4 (orthorhombic, P2(1)2(1)2(1) a = 7.579(2), b = 13.196(2), c = 17.407(4) Angstrom, V = 1740.9(6) Angstrom(3), Z = 4) can be isolated.

  DOI：

  10.1016/s0020-1693(96)05454-0