Information card for entry 2020862

Structure parameters

• Common name: PCN-427
• Formula: C32 H22 Cu2 N0 O10
• Calculated formula: C32 H22 Cu2 O10
• Title of publication: Crystal engineering on superpolyhedral building blocks in metal‒organic frameworks applied in gas adsorption
• Authors of publication: Chen, Ying-Pin; Liu, Tian-Fu; Fordham, Stephen; Zhou, Hong-Cai
• Journal of publication: Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 613 - 610
• a: 18.757 ± 0.0005 Å
• b: 18.757 ± 0.0005 Å
• c: 36.092 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12698.1 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes