Information card for entry 4515341

Structure parameters

• Chemical name: NU1000-NDC
• Formula: C100 O38 Zr6
• Calculated formula: C100 O38 Zr6
• Title of publication: Site-Directed Synthesis of Cobalt Oxide Clusters in a Metal-Organic Framework.
• Authors of publication: Peters, Aaron W.; Otake, Kenichi; Platero-Prats, Ana E; Li, Zhanyong; DeStefano, Matthew R.; Chapman, Karena W.; Farha, Omar K.; Hupp, Joseph T.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 17
• Pages of publication: 15073 - 15078
• a: 38.926 ± 0.003 Å
• b: 38.926 ± 0.003 Å
• c: 16.8351 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 22092 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.1436
• Residual factor for significantly intense reflections: 0.1246
• Weighted residual factors for significantly intense reflections: 0.3267
• Weighted residual factors for all reflections included in the refinement: 0.3424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No