Information card for entry 7108176

Structure parameters

• Common name: DUT-51(Hf)
• Formula: C108 H148 Hf6 N18 O47 S12
• Calculated formula: C40 H8 Hf6 O32 S12
• Title of publication: Zr(IV) and Hf(IV) Metal-Organic Frameworks with reo-topology
• Authors of publication: Volodymyr Bon; Volodymyr Senkovskyy; Irena Senkovska; Stefan Kaskel
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8407
• a: 49.84 ± 0.006 Å
• b: 49.84 ± 0.006 Å
• c: 49.84 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 123804 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.88561 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No