Crystal structure of a new polyoxometalate (POM) compound with a high level of crystallographic disorder.

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ID: 92619
2020
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Abstract
The crystal structure, Hirshfeld surface analysis and spectroscopic analysis of a new polyoxometalate (POM) compound, namely, nonakis(2-methoxyaniline) bis(diphosphopentamolybdate) trihydrate, (CHNO)[PMoO]·3HO, is reported. The title compound was synthesized using the solution method and was structurally characterized by single-crystal X-ray diffraction, which revealed P-1 symmetry. A study of the intermolecular interactions using Hirshfeld surface analysis confirmed that the hydrogen-bonding interactions play the dominant role in the stability of the crystal structure. The refinement was complicated by extensive disorder affecting 11 of the 16 ions and molecules in the asymmetric unit. IR and UV-Vis spectroscopic techniques were used to identify the vibrational modes and to classify this compound as an insulator.
Reference Key
skorepova2020crystalacta Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Skorepova, Eliska;Harchani, Ali;Ftini, Mohamed Mongi;Dušek, Michal;Haddad, Amor;
Journal acta crystallographica section c, structural chemistry
Year 2020
DOI
10.1107/S2053229619015596
URL
Keywords
synthesis crystal structure disorder hirshfeld surface polyoxometalate pom insulator rigid body spectroscopic analysis

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