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Two metal-organic frameworks based on Sr²⁺ and 1,2,4,5-tetra-kis-(4-carb-oxy-phen-yl)benzene linkers.

ABSTRACT: Two structurally different metal-organic frameworks based on Sr²⁺ ions and 1,2,4,5-tetra-kis-(4-carb-oxy-phen-yl)benzene linkers have been synthesized solvothermally in different solvent systems and studied with single-crystal X-ray diffraction technique. These are poly[[μ₁₂-4,4',4'',4'''-(benzene-1,2,4,5-tetra-yl)tetra-benzoato](di-methyl-formamide)-distrontium(II)], [Sr₂(C₃₄H₁₈O₈)(C₃H₇NO)₂] _n , and poly[tetra-aqua-{μ₂-4,4'-[4,5-bis-(4-carb-oxy-phen-yl)benzene-1,2-di-yl]dibenzoato}tris-trontium(II)], [Sr₃(C₃₄H₂₀O₈)₂(H₂O)₄]. The differences are noted between the crystal structures and coordination modes of these two MOFs, which are responsible for their semiconductor properties, where structural control over the bandgap is desirable. Hydrogen bonding is present in only one of the compounds, suggesting it has a slightly higher structural stability.

SUBMITTER: Usman M

PROVIDER: S-EPMC8647738 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature

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Two metal-organic frameworks based on Sr2+ and 1,2,4,5-tetra-kis-(4-carb-oxy-phen-yl)benzene linkers.

Usman Muhammad M Ogebule Lydia L Castañeda Raúl R Oskolkov Evgenii E Timofeeva Tatiana T

Acta crystallographica. Section E, Crystallographic communications 20211109 Pt 12

Two structurally different metal-organic frameworks based on Sr2+ ions and 1,2,4,5-tetra-kis-(4-carb-oxy-phen-yl)benzene linkers have been synthesized solvothermally in different solvent systems and studied with single-crystal X-ray diffraction technique. These are poly[[μ12-4,4',4'',4'''-(benzene-1,2,4,5-tetra-yl)tetra-benzoato](di-methyl-formamide)-distrontium(II)], [Sr2(C34H18O8)(C3H7NO)2] ...[more]

PMID: 34925890

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Project description:Two polymorphs of the title tetra-kis-substituted pyrazine carb-oxy-lic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene))tetra-kis-(sulfanedi-yl]}tetra-propionic acid, C20H28N2O8S4, (H4L1), have been obtained, H4L1_A and H4L1_B. Each structure crystallized with half a mol-ecule in the asymmetric unit of a triclinic P unit cell. The whole mol-ecules are generated by inversion symmetry, with the pyrazine rings being located about inversion centers. The crystals of H4L1_B were of poor quality, but the X-ray diffraction analysis does show the change in conformation of the -CH2-S-CH2-CH2- side chains compared to those in polymorph H4L1_A. In the crystal of H4L1_A, mol-ecules are linked by two pairs of O-H⋯O hydrogen bonds, enclosing R 2 2(8) ring motifs forming layers parallel to plane (100), which are linked by C-H⋯O hydrogen bonds to form a supra-molecular framework. In the crystal of H4L1_B, mol-ecules are also linked by two pairs of O-H⋯O hydrogen bonds enclosing R 2 2(8) ring motifs, however here, chains are formed propagating in the [001] direction and stacking up the a-axis. Reaction of H4L1 with Hg(NO3)2 in the presence of a potassium acetate buffer did not produce the expected binuclear complex, instead crystals of a potassium-organic framework were obtained, poly[(μ-3-{[(3,5,6-tris-{[(2-carb-oxy-eth-yl)sulfan-yl]meth-yl}pyrazin-2-yl)meth-yl]sulfan-yl}propano-ato)potassium], [K(C20H27N2O8S4)] n (KH3L1). The organic mono-anion possesses inversion symmetry with the pyrazine ring being located about an inversion center. A carb-oxy H atom is disordered by symmetry and the charge is compensated for by a potassium ion. A similar reaction with Zn(NO3)2 resulted in the formation of crystals of a dipotassium-organic framework, poly[(μ-3,3'-{[(3,6-bis-{[(2-carb-oxy-eth-yl)sulfan-yl]meth-yl}pyrazine-2,5-di-yl)bis(methyl-ene)]bis-(sulfanedi-yl)}dipropionato)dipotassium], [K2(C20H26N2O8S4)] n (K2H2L1). Here, the organic di-anion possesses inversion symmetry with the pyrazine ring being located about an inversion center. Two symmetry-related acid groups are deprotonated and the charges are compensated for by two potassium ions.

Dataset Information

Two metal-organic frameworks based on Sr²⁺ and 1,2,4,5-tetra-kis-(4-carb-oxy-phen-yl)benzene linkers.

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Two metal-organic frameworks based on Sr<sup>2+</sup> and 1,2,4,5-tetra-kis-(4-carb-oxy-phen-yl)benzene linkers.

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