Information card for entry 4511143

Structure parameters

• Formula: C54 H46 Cd3 N8 O18
• Calculated formula: C54 H46 Cd3 N8 O18
• Title of publication: Structures, Photoluminescence, and Photocatalytic Properties of Six New Metal−Organic Frameworks Based on Aromatic Polycarboxylate Acids and Rigid Imidazole-Based Synthons
• Authors of publication: Wen, Li-Li; Wang, Feng; Feng, Juan; Lv, Kang-Le; Wang, Cheng-Gang; Li, Dong-Feng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 3581
• a: 9.347 ± 0.0007 Å
• b: 20.8071 ± 0.0015 Å
• c: 13.9123 ± 0.001 Å
• α: 90°
• β: 101.579 ± 0.001°
• γ: 90°
• Cell volume: 2650.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0641
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No