之字链聚合物[Zn(o-bda)(phen)(H_2O)]_n·nH_2O的结构(英文)

Crystal Structure of a Zigzag Chain [Zn(o-bda)(phen)(H_2O)]_n·nH_2O

[Zn(o-bda)(phen)(H2O)]·H2O (C22H20N2O6Zn) (1) [where o-bda is o-phenylenediacetic acid dianion and phen is 1,10-phenanthroline] crystallizes in triclinic system, space group P1 with a=0.826 5(4) nm, b=1.042 4(5) nm, c=1.238 1(6) nm, α=76.987(9)°, β=70.987(9)°, γ=78.281(8)°, V=0.9728(8) nm3, Z=2, Dc=1.617 g·cm-3, μ=1.308 mm-1 and F(000)=488. Zn(Ⅱ)ion has a distorted trigonal bipyramid coordination geometry formed by two carboxyl O atoms from two different o-bda groups, two N atoms from the phen ligand and one terminal water molecule. Adjacent Zn(Ⅱ) ions are interlinked by o-bda groups into a infinite zigzag chain structure with a Zn...Zn distance of 0.825 6(4) nm. The adjacent zigzag chains may also be paired under direction of supramolecular recognition and attraction through both π-π stacking and hydrogen bonding interactions into molecular zippers, which further interlinked into a three-dimensional supramolecular network by these noncovalent interactions. CCDC: 600935.

[Zn（o-bda）（phen）（H2O）]n·nH2O （C22H20N2O6Zn）（1） [where o-bda is o-phenylenediacetic acid dianion and phen is 1,10-phenanthroline] crystallizes in triclinic system, space group P1 with a=0.8265 （4） nm, b=1.0424（5） nm, c=1.238 1（6） nm, α=76.987（9）°, β=70.987（9）°, γ=78.281（8）°, V=0.9728（8） nm^3, Z=2, Dc=1.617 g·cm^-3,μ= 1.308 mm^-1 and F（000）=488. Zn（Ⅱ） ion has a distorted trigonal bipyramid coordination geometry formed by two carboxyl O atoms from two different o-bda groups, two N atoms from the phen ligand and one terminal water molecule. Adjacent Zn（Ⅱ） ions are interlinked by o-bda groups into a infinite zigzag chain structure with a Zn... Zn distance of 0.825 6（4） nm. The adjacent zigzag chains may also be paired under direction of supramolecular recognition and attraction through both π-π stacking and hydrogen bonding interactions into molecular zippers, which further interlinked into a three-dimensional supramolecular network by these noncovalent interactions. CCDC： 600935.