Information card for entry 4109473

Structure parameters

• Formula: C48 H30 O13 Zn4
• Calculated formula: C48 H30 O13 Zn4
• Title of publication: Influence of Connectivity and Porosity on Ligand-Based Luminescence in Zinc Metal-Organic Frameworks
• Authors of publication: Christina A. Bauer; Tatiana V. Timofeeva; Thomas B. Settersten; Brian D. Patterson; Vincent H. Liu; Blake A. Simmons; Mark D. Allendorf
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7136 - 7144
• a: 30.317 ± 0.012 Å
• b: 19.411 ± 0.008 Å
• c: 24.161 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14218 ± 10 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No