Information card for entry 7043894

Structure parameters

• Formula: C78 H112 Cu3 N12 O27
• Calculated formula: C42 H28 Cu3 O15
• Title of publication: Fine tuning catalytic and sorption properties of metal-organic frameworks via in situ ligand exchange
• Authors of publication: Wang, Peng; Chen, Kai; Liu, Qing; Wang, Huai-Wei; Azam, Mohammad; Al-Resayes, Saud I; Lu, Yi; Sun, Wei-Yin
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 20.009 ± 0.001 Å
• b: 20.009 Å
• c: 59.029 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23633 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.2132
• Weighted residual factors for all reflections included in the refinement: 0.2414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No