Information card for entry 7112112

Structure parameters

• Formula: C54 H30 N4 O17 Zn4
• Calculated formula: C54 H30 N4 O17 Zn4
• Title of publication: A new metal-organic framework with ultra-high surface area
• Authors of publication: Ronny Grunker; Volodymyr Bon; Philipp Muller; Ulrich Stoeck; Simon Krause; Uwe Mueller; Irena Senkovska; Stefan Kaskel
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3450
• a: 50.71 ± 0.007 Å
• b: 50.71 ± 0.007 Å
• c: 62.92 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 140122 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 0.738
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.88561 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No