catena-poly[[μ-cyano-1:2κ2C:N-dicyano-1κ2C-bis(N,N-dimethylethylenediamine-2κ2N,N')palladium(II)copper(II)]-μ-cyano-1:2'κ2C:N] | 831195-49-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: catena-poly[[μ-cyano-1:2κ2C:N-dicyano-1κ2C-bis(N,N-dimethylethylenediamine-2κ2N,N')palladium(II)copper(II)]-μ-cyano-1:2'κ2C:N]
• 英文别名: copper;N',N'-dimethylethane-1,2-diamine;palladium(2+);tetracyanide
• CAS: 831195-49-4
• 化学式: C₁₂H₂₄CuN₈Pd
• 分子量: 450.342
• InChiKey: MKQKUGJOIZKJLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.61
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  154
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  dipotassium tetracyanopalladate(II) 、 copper(II) sulfate 、 N,N-二甲基乙二胺 在 NH₃ 作用下， 以 甲醇 、 水 为溶剂， 生成 catena-poly[[μ-cyano-1:2κ2C:N-dicyano-1κ2C-bis(N,N-dimethylethylenediamine-2κ2N,N')palladium(II)copper(II)]-μ-cyano-1:2'κ2C:N]
  参考文献：
  名称：

  The one-dimensional structure of Cu(dmen)₂Pd(CN)₄(dmen isN,N-dimethylethylenediamine)

  摘要：

  The title compound, catena-poly[[mu-cyano-1: 2kappa(2) C: N-dicyano-1kappa(2) C-bis(N, N-dimethylethylenediamine-2kappa(2) N, N')palladium( II) copper(II)]-mu-cyano- 1: 2'kappa(2) C: N], [CuPd(CN)(4)( C4H12N2)(2)](n), consists of infinite quasi-linear chains with all metal positions on centers of symmetry. The paramagnetic [Cu(dmen)(2)](2+) cations are linked by diamagnetic [Pd(CN)(4)](2-) anions via bridging cyano groups, which occupy trans positions in both cation and anion, giving rise to 2,2-TT-type chains. The coordination polyhedron of the paramagnetic Cu atom is an octahedron exhibiting typical elongation due to the Jahn - Teller effect, with two longer Cu - N( C) bonds in the axial positions [2.5528 (13) Angstrom] and four shorter Cu-N-dmen bonds (dmen is N,N-dimethylethylenediamine) in the equatorial plane [1.9926 (11) and 2.1149 (12) Angstrom]. The Cu - N=C angle is 138.03 (12) degrees. Neighboring chains form weak N - H...NC hydrogen bonds.

  DOI：

  10.1107/s0108270104019146