Information card for entry 7045116

Structure parameters

• Formula: C23 H8 Cu2 F3 N O10
• Calculated formula: C23 H8 Cu2 F3 N O10
• Title of publication: A Cu(ii) metal-organic framework with significant H₂ and CO₂ storage capacity and heterogeneous catalysis for the aerobic oxidative amination of C(sp³)-H bonds and Biginelli reactions.
• Authors of publication: Gupta, Anoop K.; De, Dinesh; Tomar, Kapil; Bharadwaj, Parimal K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1624 - 1634
• a: 18.5 ± 0.0013 Å
• b: 18.5 ± 0.0013 Å
• c: 23.582 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6989.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.1194
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.246
• Weighted residual factors for all reflections included in the refinement: 0.2696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No