Information card for entry 7119388

Structure parameters

• Chemical name: UBMOF-9
• Formula: C96 H80 O32 Zr6
• Calculated formula: C96 H60 O32 Zr6
• Title of publication: Mixed-linker approach in designing porous zirconium-based metal‒organic frameworks with high hydrogen storage capacity
• Authors of publication: Naeem, Ayesha; Ting, Valeska P.; Hintermair, Ulrich; Tian, Mi; Telford, Richard; Halim, Saaiba; Nowell, Harriott; Hołyńska, Małgorzata; Teat, Simon J.; Scowen, Ian J.; Nayak, Sanjit
• Journal of publication: Chemical Communications
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 50
• Pages of publication: 7826 - 7829
• a: 29.941 ± 0.001 Å
• b: 29.941 ± 0.001 Å
• c: 29.941 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26841 ± 1.6 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.0578
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No