Information card for entry 4518018

Structure parameters

• Formula: C66 H48 N12 Ni
• Calculated formula: C66 H48 N12 Ni
• Title of publication: A Water-Stable Cationic Metal-Organic Framework with Hydrophobic Pore Surfaces as an Efficient Scavenger of Oxo-Anion Pollutants from Water.
• Authors of publication: Dutta, Subhajit; Samanta, Partha; Joarder, Biplab; Let, Sumanta; Mahato, Debanjan; Babarao, Ravichandar; Ghosh, Sujit K.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 18.595 ± 0.01 Å
• b: 18.595 ± 0.01 Å
• c: 23.048 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6902 ± 8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.217
• Residual factor for significantly intense reflections: 0.133
• Weighted residual factors for significantly intense reflections: 0.3093
• Weighted residual factors for all reflections included in the refinement: 0.3549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No