Information card for entry 4519537

Structure parameters

• Common name: MOF-520-BPDC_4.20 GPa
• Formula: C34 H21 Al2 O10
• Calculated formula: C34 H21 Al2 O10
• Title of publication: Molecular Retrofitting Adapts a Metal–Organic Framework to Extreme Pressure
• Authors of publication: Kapustin, Eugene A.; Lee, Seungkyu; Alshammari, Ahmad S.; Yaghi, Omar M.
• Journal of publication: ACS Central Science
• Year of publication: 2017
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 662 - 667
• a: 18.955 ± 0.004 Å
• b: 18.955 ± 0.004 Å
• c: 36.464 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13101 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.49594 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No