Information card for entry 7043151

Structure parameters

• Formula: C10 H7 Cu N O5
• Calculated formula: C10 H7 Cu N O5
• Title of publication: A NbO type Cu(II) metal‒organic framework showing efficient catalytic activity in Friedländer and Henry reactions
• Authors of publication: Gupta, Anoop K.; De, Dinesh; Bharadwaj, Parimal K.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 18.604 ± 0.005 Å
• b: 18.604 ± 0.005 Å
• c: 37.123 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11127 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.1557
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2509
• Weighted residual factors for all reflections included in the refinement: 0.2959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No