Information card for entry 7236331

Structure parameters

• Formula: C928 H496 Cu96 N32 O456
• Calculated formula: C928.32 H498.24 Cu96 N31.68 O456
• Title of publication: Rational synthesis of a novel 3,3,5-c polyhedral metal‒organic framework with high thermal stability and hydrogen storage capability
• Authors of publication: Liu, Jianqiang; Liu, Guoliang; Gu, Chuying; Liu, Weicong; Xu, Jingwen; Li, Baohong; Wang, Wenjing
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 30
• Pages of publication: 11630
• a: 36.24 ± 0.004 Å
• b: 36.24 Å
• c: 36.24 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 47595 ± 5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.1138
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2623
• Weighted residual factors for all reflections included in the refinement: 0.2816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No