cadmium(II)(adipate)(1,10-phenanthroline) | 454658-37-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: cadmium(II)(adipate)(1,10-phenanthroline)
• 英文别名: ([Cd(phenanthroline)](adipate)3/3)n
• CAS: 454658-37-8
• 化学式: C₆H₈O₄*C₁₂H₈N₂*Cd
• 分子量: 436.746
• InChiKey: SRTFGZUCBJZJLU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.83
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  106.04
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  己二酸 、 1,10-菲罗啉 、 cadmium(II) nitrate tetrhydrate 在 NaOH 作用下， 以 水 为溶剂， 以75%的产率得到cadmium(II)(adipate)(1,10-phenanthroline)
  参考文献：
  名称：

  通过草酸盐配体实现结构转变的新型己二酸镉 (II) 配位聚合物：合成、结构和荧光特性

  摘要：

  两种新型己二酸镉配位聚合物 [Cd{O2C(CH2)4CO2}{1,10-phen}]n (1) 和 [Cd2(C2O4){O2C(CH2)4CO2(OH2)2}{2,2'- bipy}]·H2O (2) [己二酸 = HO2C(CH2)4CO2H] 已被水热合成，并通过元素分析、红外光谱、热重分析和单晶 X 射线衍射表征。1 的晶体学数据：单斜晶系，C2/c，a = 16.186(3) A，b = 15.487(3) A，c = 14.052(3) A，β = 112.73(3)°，Z = 8。 2：单斜晶系，Cc，a = 23.448(5) A, b = 11.826(2) A, c = 8.3163(17) A, β = 99.08(3)°, Z = 4。结构分析表明1形成a新型一维链，其中双核 Cd 中心通过己二酸阴离子连接。化合物 2 是第一个例子，其中在 {M/己二酸} 系统中发现了

  DOI：

  10.1002/ejic.200400291

文献信息

• Crystal Structures of ∞1{[Cd(phen)](C6H8O4)3/3} and ∞1{[Cd(phen)](C7H10O4)3/3} · 2H2O with C6H10O4 = Adipic Acid and C7H12O4 = Pimelic Acid
  作者：Yue-Qing Zheng、Wen-Han Liu、Jian-Li Lin

  DOI：10.1002/1521-3749(200206)628:6<1401::aid-zaac1401>3.0.co;2-z

  日期：2002.6

  Two coordination polymers (1)(infinity)[Cd(phen)](C6H8O4)(3/3)} (1) and (1)(infinity)[Cd(phen)](C7H10O4)(3/3)} . 2H(2)O (2) were structurally characterized by single crystal X-ray diffraction methods. In 1 (C2/c (no. 15), a = 16.169(2) Angstrom, b = 15.485(2) Angstrom, c = 14.044(2) Angstrom, beta = 112.701(8)degrees, U = 3243.9(7) Angstrom(3), Z = 8), the Cd atoms are coordinated by two N atoms of one phen ligand and five O atoms of three adipato ligands to form mono-capped trigonal prisms with d(cd-O) = 2.271-2.583 Angstrom and d(Cd-N) = 2.309, 2.390 Angstrom. The [Cd(phen)] moieties are bridged by adipato ligands to generate 1infinity[Cd(phen)](C6H8O4)(3/3)} chains, which, via interchain pi-pi stacking interactions, are assembled into layers. Complex 2 (P (1) over bar (no. 2), a = 9.986(1) Angstrom, b = 10.230(3) Angstrom, c = 11.243(1) Angstrom, alpha = 66.06(1)degrees, beta = 87.20(1)degrees, gamma = 66.71(1)degrees, U = 955.7(2) Angstrom(3), Z = 2) consists of 1infinity[Cd(phen)](C7H10O4)(3/3)} chains and hydrogen bonded H2O molecules. The Cd atoms are pentagonal bipyramidally coordinated by two N atoms of one phen ligand and five O atoms of three pimelato ligands with d(Cd-O) = 2.213-2.721 Angstrom and d(Cd-N) = 2.329, 2.372 Angstrom. Through interchain pi-pi stacking interactions, the (1)(infinity)[Cd(phen)](C7H10O4)(3/3)} chains resulting from [Cd(phen)] moieties bridged by pimelato ligands are assembled in to layers, between which the hydrogen bonded H2O molecules are sandwiched.