Information card for entry 7239547

Structure parameters

• Formula: C47 H36 Cu2 N0 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: 15.01 ± 0.02 Å
• b: 16.62 ± 0.02 Å
• c: 19.29 ± 0.03 Å
• α: 102.288 ± 0.019°
• β: 91.786 ± 0.018°
• γ: 93.3 ± 0.018°
• Cell volume: 4690 ± 11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.3232
• Residual factor for significantly intense reflections: 0.144
• Weighted residual factors for significantly intense reflections: 0.2598
• Weighted residual factors for all reflections included in the refinement: 0.2789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No