Information card for entry 2225007

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquasodium]-di-μ-aqua] 2-(2-pyridyl)quinoline-4-carboxylate]
• Formula: C15 H17 N2 Na O6
• Calculated formula: C15 H17 N2 Na O6
• SMILES: [Na+].O.n1c(cc(c2c1cccc2)C(=O)[O-])c1ncccc1.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquasodium]-di-μ-aqua] 2-(2-pyridyl)quinoline-4-carboxylate]
• Authors of publication: Hao, Hu-Jun; Lin, Cui-Wu; Yin, Xian-Hong; Hu, Fei-Long; Zhuang, Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m113
• a: 19.0409 ± 0.0017 Å
• b: 5.2987 ± 0.0005 Å
• c: 16.8305 ± 0.0016 Å
• α: 90°
• β: 103.107 ± 0.005°
• γ: 90°
• Cell volume: 1653.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0458
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes