Information card for entry 4511139

Structure parameters

• Formula: C17 H11 Cu N2 O4
• Calculated formula: C17 H11 Cu N2 O4
• 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: 10.89 ± 0.001 Å
• b: 10.8796 ± 0.001 Å
• c: 13.672 ± 0.0013 Å
• α: 90°
• β: 108.386 ± 0.002°
• γ: 90°
• Cell volume: 1537.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No