Information card for entry 2231707

Structure parameters

• Chemical name: Poly[(μ~6~-6-oxidopyridinium-2-carboxylato)caesium]
• Formula: C6 H4 Cs N O3
• Calculated formula: C6 H4 Cs N O3
• SMILES: [Cs+].[O-]C(=O)c1[nH]c(=O)ccc1
• Title of publication: Poly[(μ~6~-6-oxidopyridinium-2-carboxylato)caesium]
• Authors of publication: Kang, Sung Kwon; Shim, Yong Suk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1237
• a: 8.1746 ± 0.0003 Å
• b: 7.5513 ± 0.0002 Å
• c: 12.3843 ± 0.0004 Å
• α: 90°
• β: 91.889 ± 0.001°
• γ: 90°
• Cell volume: 764.05 ± 0.04 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 significantly intense reflections: 0.0283
• Weighted residual factors for all reflections included in the refinement: 0.0724
• 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: Yes