Information card for entry 7106013

Structure parameters

• Formula: C45 H51 N3 O28 Zn4
• Calculated formula: C45 H51 N3 O28 Zn4
• Title of publication: Controlling the Shifting Degree of Interpenetrated Metal-Organic Frameworks by Template and Temperature and Their Hydrogen Adsorption Properties
• Authors of publication: Jingui Duan; Junfeng Bai; Baishu Zheng; Yizhi Li; Wenchao Ren
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2556
• a: 19.2919 ± 0.0014 Å
• b: 19.2919 ± 0.0014 Å
• c: 19.2919 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7180 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0853
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No