Information card for entry 4135174

Structure parameters

• Formula: C8.54 H11.62 N3 O3.77 S0.77 Zn
• Calculated formula: C8.548 H11.644 N3 O3.774 S0.774 Zn
• Title of publication: Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests.
• Authors of publication: Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 28.3977 ± 0.0008 Å
• b: 28.3977 ± 0.0008 Å
• c: 10.1062 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7058.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2156
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No