{(μ-2,2'-bipyridine-N,N#,N'',N''')di(2,2'-bipyrimidine)tetra(thiocyanato)dicobalt(II)} | 155825-72-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: {(μ-2,2'-bipyridine-N,N#,N'',N''')di(2,2'-bipyrimidine)tetra(thiocyanato)dicobalt(II)}
• CAS: 155825-72-2
• 化学式: C₂₈H₁₈Co₂N₁₆S₄
• 分子量: 824.809
• InChiKey: FKSZPCOUMYNAHY-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：

  cobalt(II) thiocyanate 、 2 2'-联嘧啶 以 乙醇 、 水 为溶剂， 生成 {(μ-2,2'-bipyridine-N,N#,N'',N''')di(2,2'-bipyrimidine)tetra(thiocyanato)dicobalt(II)}
  参考文献：
  名称：

  2,2′-Bipyrimidine (bipym)-bridged dinuclear complexes. Part 4. Synthesis, crystal structure and magnetic properties of [CO₂(H₂O)₈(bipym)][NO₃]₄, [CO₂(H₂O)₈(bipym)][SO₄]₂·2H₂O and [CO₂(bipym)₃(NCS)₄]

  摘要：

  Three new dinuclear cobalt(II) complexes [Co2(H2O)8(bipym)][NO3]4 1, (Co2(H2O)8(bipym)]-[SO4]2.2H2O 2 and [Co2(bipym)3(NCS)4] 3 (bipym = 2,2'-bipyrimidine) have been synthesised and their crystal structures determined by X-ray diffraction methods. Crystals of 1 and 3 are triclinic, space group P1BAR, Z = 1 with a = 7.511 (1), b = 8.844(2), c = 9.514(1) angstrom, alpha = 79.67(1), beta = 88.54(1) and gamma = 82.46(1)-degrees for 1 and a = 9.045(2), b = 9.149(2), c = 11.621 (2) angstrom, alpha = 74.73(2), beta = 80.67(2) and gamma = 61.17(1)-degrees for 3. Crystals of 2 are monoclinic, space group P2(1)/c with a = 8.115(1), b = 11.596(2), c = 11.823(3) angstrom, beta = 91.57(2)-degrees and Z = 2. The structures of 1 and 2 are made up of dinuclear cations [Co2(H2O)8(bipym)]4+ with nitrate counter ions for 1 and water of crystallization and sulfate groups for 2. The structure of 3 consists of dimeric neutral [Co2(bipym)3(NCS)4] units. Bipyrimidine bridges the cobalt atoms in this series of complexes in a bis(chelating) fashion and a crystallographically imposed inversion centre is located halfway between its two pyrimidyl rings. It is present also as a terminal ligand in 3. The two equivalent cobalt atoms of 1 and 2 are each bound to four water oxygens and two cis nitrogens of bipym in a slightly distorted octahedral environment. Each cobalt atom in 3 is bound to six nitrogen atoms belonging to two thiocyanate groups in cis position and to two bipym ligands, one terminal and the other bridging. The intramolecular metal-metal separation varies between 5.761(1) and 5.942(2) angstrom. The magnetic properties of 1-3 have been investigated in the temperature range 4.2-300 K. They all exhibit antiferromagnetic exchange with susceptibility maxima at 13.0-16.4 K. Fits of the magnetic data through the Lines model and the simpler Ising spin-only formalism are compared.

  DOI：

  10.1039/dt9940001175