Information card for entry 4107591

Structure parameters

• Formula: C5.7 H3 Cd0.5 N2.35 O4.68
• Calculated formula: C5.7 H3 Cd0.5 N2.35 O4.67992
• Title of publication: Quest for Zeolite-like Metal-Organic Frameworks: On Pyrimidinecarboxylate Bis-Chelating Bridging Ligands
• Authors of publication: Dorina F. Sava; Victor Ch. Kravtsov; Farid Nouar; Lukasz Wojtas; Jarrod F. Eubank; Mohamed Eddaoudi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 3768 - 3770
• a: 30.07 ± 0.007 Å
• b: 30.07 ± 0.007 Å
• c: 30.07 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27189 ± 11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 229
• Hermann-Mauguin space group symbol: I m -3 m
• Hall space group symbol: -I 4 2 3
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No