Information card for entry 1557511

Structure parameters

• Formula: C108 H72 Cu4 O24 S4
• Calculated formula: C108 H72 Cu4 O24 S4
• 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: 14.151 ± 0.003 Å
• b: 32.563 ± 0.007 Å
• c: 26.766 ± 0.005 Å
• α: 90°
• β: 102.26 ± 0.03°
• γ: 90°
• Cell volume: 12052 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.2226
• Weighted residual factors for all reflections included in the refinement: 0.2406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No