Information card for entry 1557507

Structure parameters

• Formula: C218 H138 Cu8 N6 O48
• Calculated formula: C218 H138 Cu8 N6 O48
• Title of publication: On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra
• Authors of publication: Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 3664 - 3671
• a: 13.914 ± 0.003 Å
• b: 20.891 ± 0.004 Å
• c: 21.446 ± 0.004 Å
• α: 71.94 ± 0.03°
• β: 87.87 ± 0.03°
• γ: 81.2 ± 0.03°
• Cell volume: 5857 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No