Crystal structure of a compact three-dimensional metal-organic framework based on Cs(+) and (4,5-di-cyano-1,2-phenyl-ene)bis-(phospho-nic acid)

基于 Cs(+) 和 (4,5-二氰基-1,2-亚苯基)双-(膦酸)的紧凑型三维金属有机框架的晶体结构

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Abstract

A new metal-organic framework compound, poly[[μ(7)-dihydrogen (4,5-di-cyano-1,2-phenyl-ene)diphospho-nato]-(oxonium)caesium], [Cs(C(8)H(4)N(2)O(6)P(2))(H(3)O)] (n) (I), based on Cs(+) and the organic linker 4,5-di-cyano-1,2-phenyl-ene)bis-(phospho-nic acid, (H(4)cpp), containing two distinct coordinating functional groups, has been prepared by a simple diffusion method and its crystal structure is reported. The coordination polymeric structure is based on a CsO(8)N(2) complex unit comprising a monodentate hydro-nium cation, seven O-atom donors from two phospho-nium groups of the (H(2)cpp)(2-) ligand, and two N-atom donors from bridging cyano groups. The high level of connectivity from both the metal cation and the organic linker allow the formation of a compact and dense three-dimensional network without any crystallization solvent. Topologically (I) is a seven-connected uninodal network with an overall Schäfli symbol of {4(17).6(4)}. Metal cations form an undulating inorganic layer, which is linked by strong and highly directional O-H⋯O hydrogen-bonding inter-actions. These metallic layers are, in turn, connected by the organic ligands along the [010] direction to form the overall three-dimensional framework structure.

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