Information card for entry 7120315

Structure parameters

• Common name: CuNbO-2
• Chemical name: CuNbO-2
• Formula: C22 H24 Cu N4 O10
• Calculated formula: C22 H24 Cu N4 O10
• 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: 45.724 ± 0.007 Å
• b: 45.724 ± 0.007 Å
• c: 10.778 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19514 ± 6 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.3196
• Weighted residual factors for all reflections included in the refinement: 0.3247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.51
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No