Information card for entry 4127296

Structure parameters

• Formula: C18 H10 O40 Zr6
• Calculated formula: C18 H10 O40 Zr6
• Title of publication: Engineering Structural Dynamics of Zirconium Metal-Organic Frameworks Based on Natural C4 Linkers.
• Authors of publication: Wang, Sujing; Xhaferaj, Nertil; Wahiduzzaman, Mohammad; Oyekan, Kolade; Li, Xiao; Wei, Kevin; Zheng, Bin; Tissot, Antoine; Marrot, Jérôme; Shepard, William; Martineau-Corcos, Charlotte; Filinchuk, Yaroslav; Tan, Kui; Maurin, Guillaume; Serre, Christian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 43
• Pages of publication: 17207 - 17216
• a: 10 ± 0.002 Å
• b: 11.94 ± 0.002 Å
• c: 19.829 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2367.6 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.1329
• Residual factor for significantly intense reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.3028
• Weighted residual factors for all reflections included in the refinement: 0.3548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.8266 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No