Information card for entry 4347431

Structure parameters

• Formula: C22 H10 Cu2 F N O10
• Calculated formula: C22 H10 Cu2 F N O10
• Title of publication: A Partially Fluorinated, Water-Stable Cu(II)-MOF Derived via Transmetalation: Significant Gas Adsorption with High CO2 Selectivity and Catalysis of Biginelli Reactions.
• Authors of publication: Pal, Tapan K.; De, Dinesh; Senthilkumar, S.; Neogi, Subhadip; Bharadwaj, Parimal K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 16
• Pages of publication: 7835 - 7842
• a: 18.4347 ± 0.0006 Å
• b: 18.4347 ± 0.0006 Å
• c: 23.832 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7014 ± 0.4 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: 0.109
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.2259
• Weighted residual factors for all reflections included in the refinement: 0.2393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No