Information card for entry 4327873

Structure parameters

• Formula: C23 H23 N3 O2
• Calculated formula: C23 H23 N3 O2
• Title of publication: Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide
• Authors of publication: KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 647 - 660
• a: 10.053 ± 0.004 Å
• b: 10.513 ± 0.004 Å
• c: 37.598 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3974 ± 3 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No