Information card for entry 4325214

Structure parameters

• Formula: C15 H7 Cu N O4
• Calculated formula: C15 H7 Cu N O4
• Title of publication: Size- and Shape-Selective Isostructural Microporous Metal-Organic Frameworks with Different Effective Aperture Sizes
• Authors of publication: Xinfang Liu; Minhak Oh; Myoung Soo Lah
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5044 - 5053
• a: 18.218 ± 0.003 Å
• b: 18.218 ± 0.003 Å
• c: 72.761 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 20914 ± 7 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: 0.0802
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.75 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No