Information card for entry 4135199

Structure parameters

• Formula: C6.84 H6.68 Cl1.68 N3 O3 Zn
• Calculated formula: C6.842 H6.684 Cl1.684 N3 O3 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: 27.1513 ± 0.0006 Å
• b: 27.1513 ± 0.0006 Å
• c: 10.1334 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6469.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.2109
• Weighted residual factors for all reflections included in the refinement: 0.2127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No