<p>Reaction of 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligand (bib) and CuSiF<sub>6</sub> in water/ dimethylsulfoxide (DMSO) as the solvent mixture affords purple crystals of a metal-organic framework, <b>1</b>, suitable for single crystal X-ray diffraction (SCXRD) analysis. <b>1</b> crystallizes in the triclinic <i>P</i> − 1 space group: <i>a</i> = 12.694(2) Å, <i>b</i> = 13.455(2) Å, <i>c</i> = 13.740(3) Å, <i>α</i> = 88.919(7)°, <i>β</i> = 67.864(7)°, <i>γ</i> = 65.029(6)°, <i>V</i> = 1942.9(6) Å<sup>3</sup>. <b>1</b> was found to be a new phase of SIFSIX-23-Cu. Moreover, in the structure pores a cluster formed by two molecules of DMSO and ten molecules of water was identified possessing a double ice Ih-like shape.</p>

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Ice Ih Shaped Water Cluster in the Cage of an Ultramicroporous Metal-Organic Framework

  • Massimo Guelfi,
  • Marco Taddei,
  • Giulio Bresciani

摘要

Reaction of 1,4-bis(1H-imidazol-1-yl)benzene ligand (bib) and CuSiF6 in water/ dimethylsulfoxide (DMSO) as the solvent mixture affords purple crystals of a metal-organic framework, 1, suitable for single crystal X-ray diffraction (SCXRD) analysis. 1 crystallizes in the triclinic P − 1 space group: a = 12.694(2) Å, b = 13.455(2) Å, c = 13.740(3) Å, α = 88.919(7)°, β = 67.864(7)°, γ = 65.029(6)°, V = 1942.9(6) Å3. 1 was found to be a new phase of SIFSIX-23-Cu. Moreover, in the structure pores a cluster formed by two molecules of DMSO and ten molecules of water was identified possessing a double ice Ih-like shape.