含有双甜菜碱衍生物/SCN-混合配体的镉配合物的合成及晶体结构分析

A new coordination polymer of Cd(Ⅱ) was prepared by the reaction of Cd(ClO₄)₂·6H₂O with mixed ligands, namely, neutral double betaine derivative 1,3-bis(pyridinio-4-carboxylato)propane and SCN^- anion in aqueous solution. The crystal structure of 1 has been determined by single-crystal X-ray diffraction methods. Crystal data for 1: orthorhombic, space group P2₁2₁2₁, a=1.050 9(2), b=1.162 8(2), c=1.649 5(3) nm, V=2.015 7(7) nm³, Z=4, F(000)=1 064, D_c=1.756 g·cm^-3, the final R=0.050 8 and wR=0.130 1 for 3 530 observed reflections I>2σ(I)]. Crystal structure of 1 indicates that the ( μ-1,3-NCS) bridging NCS^- ligand connects neighboring cadmium atoms, leading to a single strand helical chain which propagates along crystallographic a axis. The metallic nodes of adjacent helical chains are linked by monodentate-monodentate coordination mode of both carboxylate groups in L molecules to generate 2D coordination sheet which parallels to the (001) plane. Adjacent layers are further joined by C-H…O hydrogen bonds; the structure thus expanded into a three-dimensional network. CCDC: 612657.

Synthesis and Structural Characterization of a New Cadmium(Ⅱ) Coordination Networks Derived from Mixed Double Betaine Derivate/SCN- Ligands

A new coordination polymer of Cd(Ⅱ) was prepared by the reaction of Cd(ClO4)2· 6H2O with mixed ligands, namely, neutral double betaine derivative 1,3-bis(pyridinio-4-carboxylato)propane and SCN- anion in aqueous solution. The crystal structure of 1 has been determined by single-crystal X-ray diffraction methods. Crystal data for 1: orthorhombic, space group P212121, a=1.0509(2), b=1.162 8(2), c=1.649 5(3) nm, V=2.015 7(7) nm3, Z=4, F(000)=1 064, Dc=1.756 g·cm-3, the final R=0.050 8 and wR=0.130 1 for 3 530 observed reflections I＞2σ(I)].Crystal structure of 1 indicates that the (μ-1,3-NCS) bridging NCS- ligand connects neighboring cadmium atoms,leading to a single strand helical chain which propagates along crystallographic a axis. The metallic nodes of adjacent helical chains are linked by monodentate-monodentate coordination mode of both carboxylate groups in L molecules to generate 2D coordination sheet which parallels to the (001) plane. Adjacentlayers are further joined by C-H…O hydrogen bonds; the structure thus expanded into a three-dimensional network. CCDC: 612657.