Information card for entry 7108322

Structure parameters

• Formula: C79 H79 N9 O42 Zn9
• Calculated formula: C72 H18 N6 O41 Zn9
• Title of publication: Chiral assembly of dodecahedral cavities into porous metal-organic frameworks
• Authors of publication: Hui Yang; Fei Wang; Yao Kang; Jian Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9424
• a: 23.3024 ± 0.0002 Å
• b: 23.3024 ± 0.0002 Å
• c: 23.3024 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12653.2 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No