Information card for entry 7107454

Structure parameters

• Formula: C18.25 H15 N1.5 O4.5 Zn0.5
• Calculated formula: C18.25 H15 N1.5 O4.5 Zn0.5
• 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: 14.3366 ± 0.0007 Å
• b: 36.0309 ± 0.0018 Å
• c: 7.073 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3653.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.784
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No