Information card for entry 2240154

Structure parameters

• Chemical name: Poly[μ-acetato-bis[μ-2-oxo-2-(quinolin-8-yl)ethanoato]trisodium]
• Formula: C24 H15 N2 Na3 O8
• Calculated formula: C24 H15 N2 Na3 O8
• SMILES: n1cccc2c1c(ccc2)C(=O)C(=O)[O-].[Na+].[Na+].[Na+].n1cccc2c1c(ccc2)C(=O)C(=O)[O-].CC(=O)[O-]
• Title of publication: Crystal structure of poly[μ-acetato-bis[μ-2-oxo-2-(quinolin-8-yl)ethanoato]trisodium]
• Authors of publication: Nicholls, Rachel L.; Pask, Christopher M.; Nguyen, Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: m385 - m386
• a: 6.1101 ± 0.0005 Å
• b: 22.7075 ± 0.0019 Å
• c: 16.1587 ± 0.0012 Å
• α: 90°
• β: 94.626 ± 0.007°
• γ: 90°
• Cell volume: 2234.6 ± 0.3 ų
• Cell temperature: 120.01 ± 0.19 K
• Ambient diffraction temperature: 120.01 ± 0.19 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: 0.0891
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes