Information card for entry 4501259

Structure parameters

• Formula: C14 H10 Cu N2 O4
• Calculated formula: C14 H10 Cu N2 O4
• Title of publication: Adsorbate Selectivity of Isoreticular Microporous Metal‒Organic Frameworks with Similar Static Pore Dimensions
• Authors of publication: Liu, Xinfang; Oh, Minhak; Lah, Myoung Soo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 5064
• a: 18.621 ± 0.003 Å
• b: 18.621 ± 0.003 Å
• c: 69.793 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 20958 ± 6 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No