We redetermine the structure of the disordered metal-organic framework Zn(hba) (hba$^{2-}$ = the dianion of 4-hydroxybenzoic acid). Using single-crystal X-ray diffraction measurements, we characterise the structured diffuse scattering that is experimentally observed for this material and which is characteristic of strongly correlated disorder. We use geometric and crystal chemical arguments to propose a general model for correlated disorder in Zn(hba), and then relate this model to a specific realisation of so-called Truchet tilings. Using Monte Carlo simulations, we proceed to show that the model so developed is simultaneously consistent with both the average crystal structure solution described previously, and the structured diffuse scattering reported here. The existence of ordered analogues with different, but related, chemistry suggests scope for control over correlated disorder in this family of metal-organic frameworks. Our study illustrates the potential for a Truchet-tile formalism to help describe and understand more generally the correlated disorder that occurs in framework materials - even amongst those that are chemically and crystallographically dissimilar.
The study of low-dimensional and anisotropic magnetism is a promising avenue for the discovery of novel quantum phenomena. Mixed-anion materials, defined by the coordination of metal cations by two or more distinct anionic species, provide an intrinsically anisotropic platform for the tuning of structural, magnetic, an...
Austin M. Ferrenti, K. Khoroshun, Mohamed Oudah et al.· 0 citations
One-dimensional (1D) thiophene (Th) crystals are important noncovalent motifs for pre-organized polymerization of Th to produce conducting polythiophene. However, successful 1D Th alignment is difficult. To date, template-directed 1D Th alignment has been achieved through strong host-guest interactions, but this result...
A novel cadmium halide-based organic–inorganic hybrid material, (2A4PH)2[CdBr4] (where 2A4PH denotes the 2-amino-4-methylpyridinium cation), was synthesized at room temperature using a Schlenk method and comprehensively characterized by single-crystal X-ray diffraction, spectroscopic, thermal, and biological investigat...
Intissar Tababi, Houyem Khlifi, M. Chihaoui et al.· RSC Advances· 0 citations
This study addresses the gap concerning the structural landscape of experimentally observed high-chloride Au
n
Cl
n+5
-
cluster anions, whose stable geometries, aurophilic interaction patterns, thermodynamic stability, and growth pathways remain largely unexplored compared to well-characterized low- and medium-c...
Yu-Qing Chen, Shi-Yin Xu, Shuo Wang et al.· Frontiers in Chemistry· 0 citations
Nitrogen-centered Lewis bases are well established as nucleophiles in synthetic chemistry, as ligands in coordination chemistry and as pervasive components of hydrogen bonding in chemistry and structural biology. Their role as acceptors of halogen, chalcogen, pnictogen and tetrel bonds, collectively σ-hole interactions...
Harry W. Nash, E. Pidcock, J. Stevens et al.· JACS Au· 0 citations
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