Information card for entry 7106014

Structure parameters

• Formula: C51 H38 N5 O18 Zn4
• Calculated formula: C51 H38 N5 O18 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: 19.0893 ± 0.0015 Å
• b: 26.952 ± 0.002 Å
• c: 31.7133 ± 0.0018 Å
• α: 90°
• β: 119.592 ± 0.003°
• γ: 90°
• Cell volume: 14188.1 ± 1.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No