Information card for entry 4107227

Structure parameters

• Formula: C44 H48 Cd2 N2 O12
• Calculated formula: C44.004 H32 Cd2 N2 O12
• Title of publication: Turn-On Fluorescence in Tetraphenylethylene-Based Metal-Organic Frameworks: An Alternative to Aggregation-Induced Emission
• Authors of publication: Natalia B. Shustova; Brian D. McCarthy; Mircea Dincă
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 20126 - 20129
• a: 11.4137 ± 0.0016 Å
• b: 16.592 ± 0.002 Å
• c: 26.041 ± 0.003 Å
• α: 90°
• β: 95.29 ± 0.003°
• γ: 90°
• Cell volume: 4910.5 ± 1.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No