sym-fac-[(bis(2-pyridylmethyl)amine)(2,2'-bipyridine)chlorocobalt(III)] tetrachlorozincate(II) | 501015-06-1

• 英文名称: sym-fac-[(bis(2-pyridylmethyl)amine)(2,2'-bipyridine)chlorocobalt(III)] tetrachlorozincate(II)
• CAS: 501015-06-1
• 化学式: C₂₂H₂₁ClCoN₅*Cl₄Zn
• 分子量: 657.09
• InChiKey: JGPZJINDNSKUEX-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：
  None

反应信息

• 作为反应物：
  描述：

  高氯酸 、 sym-fac-[(bis(2-pyridylmethyl)amine)(2,2'-bipyridine)chlorocobalt(III)] tetrachlorozincate(II) 以 高氯酸 为溶剂， 生成 sym-fac-[(bis(2-pyridylmethyl)amine)(2,2'-bipyridine)chlorocobalt(III)] perchlorate
  参考文献：
  名称：

  On the preference for the sym–fac isomer in the [Co(N,N′-bis(2-aminomethyl)amine)(2,2′-bipyridine)Cl]2+ system

  摘要：

  The sym -fac isomer of [Co(bpma)(bipy)Cl](2+) is the only one synthesised for this system where, in principle, four exist (bpma = N,N'-bis(2-aminomethyl)amine, bipy = 2,2'-bispyridine). This observation is supported by ab initio energy calculations which reveal this to be the most stable form, and the unsym -fac isomer the highest in energy. It is one of only two cobalt(III) complexes known that contain a single NH centre trans to Cl-. The structure is deduced from the C-13 NMR spectrum and 2D NMR techniques and confirmed by the X-ray crystal structure determination. The agreement between the single crystal data and the calculated ab initio molecular parameters is excellent (within +/-3%). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01303-7
• 作为产物：
  描述：

  盐酸 、 peroxo-bis((bis(2-pyridylmethyl)amine)(2,2'-bipyridine)cobalt(III)) perchlorate 、 zinc(II) chloride 以 盐酸 为溶剂， 生成 sym-fac-[(bis(2-pyridylmethyl)amine)(2,2'-bipyridine)chlorocobalt(III)] tetrachlorozincate(II)
  参考文献：
  名称：

  On the preference for the sym–fac isomer in the [Co(N,N′-bis(2-aminomethyl)amine)(2,2′-bipyridine)Cl]2+ system

  摘要：

  The sym -fac isomer of [Co(bpma)(bipy)Cl](2+) is the only one synthesised for this system where, in principle, four exist (bpma = N,N'-bis(2-aminomethyl)amine, bipy = 2,2'-bispyridine). This observation is supported by ab initio energy calculations which reveal this to be the most stable form, and the unsym -fac isomer the highest in energy. It is one of only two cobalt(III) complexes known that contain a single NH centre trans to Cl-. The structure is deduced from the C-13 NMR spectrum and 2D NMR techniques and confirmed by the X-ray crystal structure determination. The agreement between the single crystal data and the calculated ab initio molecular parameters is excellent (within +/-3%). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01303-7