Information card for entry 4122712

Structure parameters

• Formula: C48 H24 N24 O68 Zn24
• Calculated formula: C48 H24 N24 O68 Zn24
• Title of publication: Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.
• Authors of publication: Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 41
• Pages of publication: 14465
• a: 20.0872 ± 0.0019 Å
• b: 20.0872 ± 0.0019 Å
• c: 20.0872 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8105.1 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.1109
• Weighted residual factors for significantly intense reflections: 0.2419
• Weighted residual factors for all reflections included in the refinement: 0.2484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No