Information card for entry 7105789

Structure parameters

• Common name: Zn4O(BenzTB)1.5
• Chemical name: Zn4O(BenzTB)1.5
• Formula: C60 H36 N3 O13 Zn4
• Calculated formula: C60 H36 N3 O13 Zn4
• Title of publication: A highly porous Metal-Organic Framework with flexible corundum topology
• Authors of publication: Ronny Grunker; Irena Senkovska; Ralf Biedermann; Nicole Klein; Martin Lohe; Philipp Muller; Stefan Kaskel
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 490
• a: 25.682 ± 0.004 Å
• b: 25.682 ± 0.004 Å
• c: 114.9 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 65631 ± 18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.88561 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No