Kong Zhi-Guo, Wang Ming, Ma Xiao-Yuan, Wang Qing-Wei
College of Chemistry, Jilin Normal University, Siping, 136000, People's Republic of China.
Acta Crystallogr C. 2009 Dec;65(Pt 12):m472-4. doi: 10.1107/S0108270109045235. Epub 2009 Nov 18.
The asymmetric unit of the title compound, Cd(C(8)H(4)O(4))(C(17)H(8)ClN(5))(H(2)O), contains one Cd(II) atom, two half benzene-1,4-dicarboxylate (1,4-bdc) anions, one 11-chloropyrido[2',3':2,3]pyrimidino[5,6-f][1,10]phenanthroline (L) ligand and one coordination water molecule. The 1,4-bdc ligands are on inversion centers at the centroids of the arene rings. The Cd(II) atom is six-coordinated by two N atoms from one L ligand, three carboxylate O atoms from two different 1,4-bdc ligands and one water O atom in a distorted octahedral coordination sphere. Each Cd(II) center is bridged by the 1,4-bdc dianions to give a one-dimensional chain. Pi-pi stacking interactions between L ligands of neighboring chains extend adjacent chains into a two-dimensional supramolecular (6,3) network. Neighboring (6,3) networks are interpenetrated in an unusual inclined mode, resulting in a three-dimensional framework. Additionally, the water-carboxylate O-H...O hydrogen bonds observed in the network consolidate the interpenetrating nets.
标题化合物[Cd(C₈H₄O₄)(C₁₇H₈ClN₅)(H₂O)]ₙ的不对称单元包含一个Cd(II)原子、两个半苯-1,4-二甲酸根(1,4-bdc)阴离子、一个11-氯吡啶并[2',3':2,3]嘧啶并[5,6-f][1,10]菲咯啉(L)配体和一个配位水分子。1,4-bdc配体位于芳环质心的反演中心上。Cd(II)原子由来自一个L配体的两个N原子、来自两个不同1,4-bdc配体的三个羧酸根O原子和一个水分子O原子在一个扭曲的八面体配位球中进行六配位。每个Cd(II)中心由1,4-bdc二价阴离子桥连形成一维链。相邻链的L配体之间的π-π堆积相互作用将相邻链扩展为二维超分子(6,3)网络。相邻的(6,3)网络以一种不寻常的倾斜模式相互贯穿,形成三维框架。此外,在网络中观察到的水-羧酸根O-H...O氢键巩固了相互贯穿的网络。