Ni(cyanamide)4Cl2 | 53128-54-4

• 英文名称: Ni(cyanamide)4Cl2
• CAS: 53128-54-4
• 化学式: C₄H₈Cl₂N₈Ni
• 分子量: 297.757
• InChiKey: CIMHDARLXONPOA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  氰胺 、 nickel dichloride 以 水 为溶剂， 生成 Ni(cyanamide)4Cl2
  参考文献：
  名称：

  Crystal Structure, Magnetic Properties, and Electronic Structure of Ni(NCNH2)4Cl2 and Co(NCNH2)4Cl2

  摘要：

  The crystal structures of Ni(NCNH2)(4)Cl-2 and Co(NCNH2)(4)Cl-2, the first complexes with cyanamide as a neutral ligand, have been determined from single crystal data (Im (3) over barm, Z=6, a=1259.3(2)pm, R-1=0.0245 for Ni(NCNH2)(4)Cl-2 and a=1266.3(2)pm, R-1=0.0241 for Co(NCNH2)(4)Cl-2; both 329 intensities and 23 parameters). Ni2+ and Co2+ are octahedrally coordinated by four equatorial H2NCN molecules and two axial chloride ions, and the 20 and 29 electron octahedral complexes are connected by a network of hydrogen bonds. The cyanamide ligands are slightly bent (166 degrees), and the two N-C distances are 112 and 133pm. Ni(NChTH(2))(4)Cl-2/Co(NCNH2)(4)Cl-2 are Curie paramagnets with two/three unpaired electrons.

  DOI：

  10.1002/1521-3749(200107)627:7<1682::aid-zaac1682>3.0.co;2-1