Information card for entry 7211029

Structure parameters

• Formula: C72 H36 O32 Zr6
• Calculated formula: C72 H36 O32 Zr6
• Title of publication: Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs
• Authors of publication: Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9572
• a: 23.91 ± 0.003 Å
• b: 23.91 ± 0.003 Å
• c: 23.91 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13669 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0734
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.88561 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No