Information card for entry 7218420

Structure parameters

• Common name: DUT-6-boron
• Chemical name: DUT-6
• Formula: C121.5 H206.5 B1.33 N15.5 O28.5 Zn4
• Calculated formula: C44 H36 B1.33333 O13 Zn4
• Title of publication: Copolymerisation at work: the first example of a highly porous MOF comprising a triarylborane-based linker
• Authors of publication: Helten, Stella; Sahoo, Basudev; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Glorius, Frank
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 307
• a: 26.51 ± 0.003 Å
• b: 26.51 ± 0.003 Å
• c: 26.51 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18631 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.1167
• Weighted residual factors for significantly intense reflections: 0.3529
• Weighted residual factors for all reflections included in the refinement: 0.3864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.88561 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No