Information card for entry 4327226

Structure parameters

• Formula: C20 H18 Cd N6 O6
• Calculated formula: C20 H18 Cd N6 O6
• Title of publication: Molecular Tectonics of Mixed-Ligand Metal-Organic Frameworks: Positional Isomeric Effect, Metal-Directed Assembly, and Structural Diversification
• Authors of publication: Miao Du; Xiu-Juan Jiang; Xiao-Jun Zhao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3984 - 3995
• a: 15.1489 ± 0.0011 Å
• b: 8.7777 ± 0.0006 Å
• c: 15.9117 ± 0.0011 Å
• α: 90°
• β: 102.533 ± 0.001°
• γ: 90°
• Cell volume: 2065.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No