Information card for entry 7126128

Structure parameters

• Formula: C108 H68 N4 O40 Zr6
• Calculated formula: C108 H68 N4 O40 Zr6
• Title of publication: Made-to-order porous electrodes for supercapacitors: MOFs embedded with redox-active centers as a case study.
• Authors of publication: Mallick, Arijit; Liang, Hanfeng; Shekhah, Osama; Jia, Jiangtao; Mouchaham, Georges; Shkurenko, Aleksander; Belmabkhout, Youssef; Alshareef, Husam N.; Eddaoudi, Mohamed
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1883 - 1886
• a: 20.7974 ± 0.0009 Å
• b: 34.3196 ± 0.0013 Å
• c: 24.2844 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17333.2 ± 1.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 65
• Hermann-Mauguin space group symbol: C m m m
• Hall space group symbol: -C 2 2
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No