Information card for entry 7106793

Structure parameters

• Formula: C46 H28 N2 O8 Zn2
• Calculated formula: C46 H20 N2 O8 Zn2
• Title of publication: A non-interpenetrated porous metal-organic framework with high gas-uptake capacity
• Authors of publication: Dong Han; Fei-Long Jiang; Ming-Yan Wu; Lian Chen; Qi-Hui Chen; Maochun Hong
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 9861
• a: 27.7364 ± 0.0011 Å
• b: 27.7364 ± 0.0011 Å
• c: 27.7364 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21337.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.2125
• Weighted residual factors for all reflections included in the refinement: 0.223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No