Information card for entry 7239546

Structure parameters

• Formula: C47 H36 Cu2 O12
• Calculated formula: C47 H36 Cu2 O12
• 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: 20.53 ± 0.005 Å
• b: 20.773 ± 0.005 Å
• c: 18.804 ± 0.004 Å
• α: 90°
• β: 90.945 ± 0.003°
• γ: 90°
• Cell volume: 8018 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No