Xu Guohai, Xie Yongrong
Key Laboratory of Jiangxi University for Functional Materials Chemistry, Department of Chemistry and Life Science, Gannan Normal University, Ganzhou, Jiangxi 341000, People's Republic of China.
Acta Crystallogr C. 2010 Aug;66(Pt 8):m201-3. doi: 10.1107/S0108270110023553. Epub 2010 Jul 7.
In the title compound, Cd(C(8)H(4)O(4))(C(10)H(8)N(2)O(2))(H(2)O), (I), each Cd(II) atom is seven-coordinated in a distorted monocapped trigonal prismatic coordination geometry, surrounded by four carboxylate O atoms from two different benzene-1,4-dicarboxylate (1,4-bdc) anions, two O atoms from two distinct 4,4'-bipyridine N,N'-dioxide (bpdo) ligands and one water O atom. The Cd(II) atom and the water O atom are on a twofold rotation axis. The bpdo and 1,4-bdc ligands are on centers of inversion. Each crystallographically unique Cd(II) center is bridged by the 1,4-bdc dianions and bpdo ligands to give a three-dimensional diamond framework containing large adamantanoid cages. Three identical such nets are interlocked with each other, thus directly leading to the formation of a threefold interpenetrated three-dimensional diamond architecture. To the best of our knowledge, (I) is the first example of a threefold interpenetrating diamond net based on both bpdo and carboxylate ligands. There are strong linear O-H...O hydrogen bonds between the water molecules and carboxylate O atoms within different diamond nets. Each diamond net is hydrogen bonded to its two neighbors through these hydrogen bonds, which further consolidates the threefold interpenetrating diamond framework.
在标题化合物[Cd(C₈H₄O₄)(C₁₀H₈N₂O₂)(H₂O)]ₙ (I)中，每个Cd(II)原子以扭曲的单帽三棱柱配位几何构型进行七配位，被来自两个不同的苯-1,4-二羧酸根（1,4-bdc）阴离子的四个羧酸根O原子、来自两个不同的4,4'-联吡啶N,N'-二氧化物（bpdo）配体的两个O原子和一个水分子O原子所包围。Cd(II)原子和水分子O原子位于二重旋转轴上。bpdo和1,4-bdc配体位于对称中心上。每个晶体学上独特的Cd(II)中心通过1,4-bdc二价阴离子和bpdo配体桥连，形成一个包含大金刚烷型笼的三维金刚石骨架。三个相同的这样的网络相互联锁，从而直接导致形成三重互穿的三维金刚石结构。据我们所知，(I)是基于bpdo和羧酸根配体的三重互穿金刚石网络的第一个例子。在不同金刚石网络中的水分子和羧酸根O原子之间存在强的线性O-H...O氢键。每个金刚石网络通过这些氢键与它的两个相邻网络形成氢键，这进一步巩固了三重互穿的金刚石骨架。
