Information card for entry 7107455

Structure parameters

• Formula: C8.83 H0 O1.67 Zn0.33
• Calculated formula: C8.83333 O1.66667 Zn0.333333
• Title of publication: Solvent-induced single-crystal to single-crystal transformation of a 2D coordination network to a 3D metal-organic framework greatly enhances porosity and hydrogen uptake
• Authors of publication: Wenbin Lin; Liang Wen; Peng Cheng
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2846
• a: 26.9842 ± 0.0008 Å
• b: 31.2626 ± 0.0007 Å
• c: 7.2309 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6100 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2399
• Weighted residual factors for all reflections included in the refinement: 0.2466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.726
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No