Information card for entry 7215364

Structure parameters

• Formula: C39 H40 Mg3 N3 O21
• Calculated formula: C39 H30 Mg3 N2 O20.65
• Title of publication: Three three-dimensional anionic metal‒organic frameworks with (4,8)-connected alb topology constructed from a semi-rigid ligand and polynuclear metal clusters
• Authors of publication: Su, Shengqun; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Deng, Ruiping; Chen, Wan; Song, Xuezhi; Wang, Song; Li, Guanghua; Zhang, Hongjie
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 6057
• a: 10.781 ± 0.0005 Å
• b: 15.8837 ± 0.0007 Å
• c: 25.1737 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4310.8 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No