Information card for entry 7239548

Structure parameters

• Common name: PCN-38
• Formula: C90 H64 Cu4 N0 O24
• Calculated formula: C90 H64 Cu4 O24
• Title of publication: Realization of both high hydrogen selectivity and capacity in a guest responsive metal‒organic framework
• Authors of publication: Makal, Trevor A.; Zhuang, Wenjuan; Zhou, Hong-Cai
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 43
• Pages of publication: 13502
• a: 20.639 ± 0.009 Å
• b: 22.923 ± 0.01 Å
• c: 23.247 ± 0.01 Å
• α: 82.718 ± 0.006°
• β: 71.061 ± 0.006°
• γ: 80.352 ± 0.007°
• Cell volume: 10225 ± 8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2063
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No