Information card for entry 7055112

Structure parameters

• Common name: UBMOF-2
• Formula: C12 H3 O3.25 Zn
• Calculated formula: C10.5 H2.25 O3.25 Zn
• Title of publication: The role of atropisomers on the photo-reactivity and fatigue of diarylethene-based metal‒organic frameworks
• Authors of publication: Walton, Ian M.; Cox, Jordan M.; Benson, Cassidy A.; Patel, Dinesh (Dan) G.; Chen, Yu-Sheng; Benedict, Jason B.
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 1
• Pages of publication: 101
• a: 34.001 ± 0.003 Å
• b: 34.001 ± 0.003 Å
• c: 34.001 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 39307 ± 6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2643
• Weighted residual factors for all reflections included in the refinement: 0.2732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No