Information card for entry 4317143

Structure parameters

• Formula: C10 H6 Cd N4 O4
• Calculated formula: C10 H6 Cd N4 O4
• Title of publication: Topologies of Metal-Organic Frameworks Based on Pyrimidine-5-carboxylate and Unexpected Gas-Sorption Selectivity for CO2
• Authors of publication: Jinwoo Seo; Narae Jin; Hyungphil Chun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10833 - 10839
• a: 7.9594 ± 0.0015 Å
• b: 9.1801 ± 0.0017 Å
• c: 15.796 ± 0.003 Å
• α: 90°
• β: 104.492 ± 0.002°
• γ: 90°
• Cell volume: 1117.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No