An attempted incorporation of N-donor ligand in the coordination sphere of Ca in the molecular solid [Ca(H2O)4(4-nba)2] (4-nba=4-nitrobenzoate) resulted in the formation of the one-dimensional (1D) coordination polymers catena-[bis(μ-4-nitrobenzoato)-diaqua-calcium 4,4'-bipyridine] 1 and catena-[bis(μ-4-nitrobenzoato)-diaqua-calcium 1H-1,2,4-triazole] 2 with the N-heterocycle functioning as a solvate. The syntheses, crystal structures and properties of [Ca(H2O)2(4-nba)2]•L (L=4,4′-bipyridine 1; L=1H-1,2,4-triazole 2) are reported. The central Ca(II) in 1 and 2 exhibits eight-coordination and the aqua ligands are terminal, while 4-nitrobenzoate functions as a μ2-bridging ligand. The μ2-η2:η1 tridentate binding mode of the 4-nba ligand results in the formation of an infinite chain of edge-sharing {CaO8} polyhedra flanked by the 4-nitrobenzoates. The solvate 4,4′-bipyridine in 1 (or 1,2,4-triazole in 2) links adjacent polymeric chains with the aid of O-H∙∙∙N hydrogen bonding interactions. A comparative study of {CaOx} polyhedral linking in structurally characterized calcium coordination polymers based on 4-nitrobenzoate is described.

中文翻译：

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链状结构-[双(μ-4-硝基苯甲酸根)-diaqua-calcium 4,4'-联吡啶]和链状链-[bis(μ-4-nitrobenzoato)-diaqua-calcium 1H-1,2,4-三唑的结构表征]

在分子固体 [Ca(H2O)4(4-nba)2]（4-nba=4-硝基苯甲酸盐）中尝试将 N-供体配体掺入 Ca 的配位球中，导致形成一维（ 1D) 配位聚合物catena-[bis(μ-4-nitrobenzoato)-diaqua-calcium 4,4'-bipyridine] 1 和catena-[bis(μ-4-nitrobenzoato)-diaqua-calcium 1H-1,2,4 -三唑] 2 与 N-杂环作为溶剂合物。报道了[Ca(H2O)2(4-nba)2]•L(L=4,4'-联吡啶1；L=1H-1,2,4-三唑2)的合成、晶体结构和性质。1 和 2 中的中心 Ca(II) 表现出八配位，水配体是末端，而 4-硝基苯甲酸酯作为 μ2-桥接配体。4-nba 配体的 μ2-η2:η1 三齿结合模式导致边缘共享 {CaO8} 多面体的无限链的形成，两侧是 4-硝基苯甲酸酯。1 中的溶剂化物 4,4'-联吡啶（或 2 中的 1,2,4-三唑）借助 OH∙∙∙N 氢键相互作用连接相邻的聚合物链。描述了基于 4-硝基苯甲酸酯的结构特征钙配位聚合物中 {CaOx} 多面体连接的比较研究。