Information card for entry 4305327

Structure parameters

• Formula: C20 H21 N5 O6
• Calculated formula: C20 H21 N5 O6
• SMILES: O=c1n([O-])c(ccc1)C(=O)Nc1ccccc1NC(=O)c1n(O)c(=O)ccc1.[NH2+](C)C
• Title of publication: Aryl-Bridged 1-Hydroxypyridin-2-one: Sensitizer Ligands for Eu(III)
• Authors of publication: Anthony D'Aléo; Jide Xu; Evan G. Moore; Christoph J. Jocher; Kenneth N. Raymond
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6109 - 6111
• a: 17.361 ± 0.003 Å
• b: 10.3691 ± 0.0019 Å
• c: 23.216 ± 0.004 Å
• α: 90°
• β: 106.614 ± 0.002°
• γ: 90°
• Cell volume: 4004.8 ± 1.2 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 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: 0.0774
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No