Information card for entry 7120314

Structure parameters

• Common name: CuNbO-1
• Chemical name: CuNbO-1
• Formula: C14 H6 Cu N4 O13
• Calculated formula: C14 H6 Cu N4 O13
• Title of publication: Thermal Decomposition Pathways of Nitro-functionalized Metal-Organic Frameworks
• Authors of publication: McDonald, Kyle Andrew; Ko, Nakeun; Noh, Kyungkyou; Bennion, Jonathan C.; Kim, Jaheon; Matzger, Adam
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 30.261 ± 0.004 Å
• b: 30.261 ± 0.004 Å
• c: 30.261 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27711 ± 6 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 229
• Hermann-Mauguin space group symbol: I m -3 m
• Hall space group symbol: -I 4 2 3
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2517
• Weighted residual factors for all reflections included in the refinement: 0.262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.9 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No