Information card for entry 4502576

Structure parameters

• Formula: C28 H24 N4 O
• Calculated formula: C28 H24 N4 O
• SMILES: n1ccc(c2c(cc(c(c2)c2ccncc2)c2ccncc2)c2ccncc2)cc1.CCO
• Title of publication: Structure and Topology Versatility of Metal−Organic Frameworks Based on Tetradentate Ligands Isolated from Hydrothermal Metal/Ligand Reactions
• Authors of publication: Hu, Sheng; Meng, Zhao-Sha; Tong, Ming-Liang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1742
• a: 13.8997 ± 0.0018 Å
• b: 14.854 ± 0.002 Å
• c: 11.1887 ± 0.0014 Å
• α: 90°
• β: 102.556 ± 0.003°
• γ: 90°
• Cell volume: 2254.8 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0751
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No