Information card for entry 4315458

Structure parameters

• Common name: 5LIO-Me-3,2-HOPO
• Formula: C18 H26 N4 O9
• Calculated formula: C18 H26 N4 O9
• SMILES: O=c1n(C)ccc(c1O)C(=O)NCCOCCNC(=O)c1c(O)c(=O)n(C)cc1.O.O
• Title of publication: 1-Methyl-3-hydroxy-pyridin-2-one Complexes of Near Infra-Red Emitting Lanthanides: Efficient Sensitization of Yb(III) and Nd(III) in Aqueous Solution
• Authors of publication: Evan G. Moore; Jide Xu; Sheel C. Dodani; Christoph J. Jocher; Anthony D'Aléo; Michael Seitz; Kenneth N. Raymond
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4156 - 4166
• a: 24.438 ± 0.011 Å
• b: 9.722 ± 0.006 Å
• c: 8.925 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2120.5 ± 1.9 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No