Information card for entry 2105692

Structure parameters

• Formula: C6 H8 N O2 Rb
• Calculated formula: C6 H8 N O2 Rb
• SMILES: [Rb+].[O-]c1nc(ccc1)C.O
• Title of publication: Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures
• Authors of publication: Clegg, William; Tooke, Duncan M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: 603 - 612
• a: 13.9109 ± 0.0016 Å
• b: 7.8661 ± 0.0009 Å
• c: 7.0235 ± 0.0008 Å
• α: 90°
• β: 98.8733 ± 0.0015°
• γ: 90°
• Cell volume: 759.35 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No