Information card for entry 7115961

Structure parameters

• Formula: C14 H8 Cu N2 O5
• Calculated formula: C14 H8 Cu N2 O5
• Title of publication: Amide and N-oxide functionalization of T-shaped ligands for isoreticular MOFs with giant enhancements in CO2 separation
• Authors of publication: Ying Xiong; Yan-Zhong Fan; Rui Yang; Sha Chen; Mei Pan; Ji-Jun Jiang; Cheng-Yong Su
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14631
• a: 18.9171 ± 0.0015 Å
• b: 18.9171 ± 0.0015 Å
• c: 37.995 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11775 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1023
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2516
• Weighted residual factors for all reflections included in the refinement: 0.2704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No