Information card for entry 7111935

Structure parameters

• Formula: C48 H42 O13 Zn4
• Calculated formula: C48 O13 Zn4
• Title of publication: Photoresponsive porous materials: the design and synthesis of photochromic diarylethene-based linkers and a metal-organic framework
• Authors of publication: Dinesh G. (Dan) Patel; Ian M. Walton; Jordan M. Cox; Cody J. Gleason; David R. Butzer; Jason B. Benedict
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2653
• a: 34.25 ± 0.019 Å
• b: 34.25 ± 0.019 Å
• c: 34.25 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 40177 ± 4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.2123
• Residual factor for significantly intense reflections: 0.1937
• Weighted residual factors for significantly intense reflections: 0.5153
• Weighted residual factors for all reflections included in the refinement: 0.5539
• Goodness-of-fit parameter for all reflections included in the refinement: 2.901
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No