Information card for entry 2208781

Structure parameters

• Chemical name: Poly[\-m-aqua-aqua-μ-3-carboxypyrazine-2-carboxylato-sodium(I)]
• Formula: C6 H7 N2 Na O6
• Calculated formula: C6 H7 N2 Na O6
• SMILES: [Na+].O.OC(c1c(C(=O)[O-])nccn1)=O.O
• Title of publication: Poly[μ-aqua-aqua-μ-3-carboxypyrazine-2-carboxylato-sodium(I)]
• Authors of publication: Mustafa Tombul; Kutalmış Güven; Nazım Alkış
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m945 - m947
• a: 7.8581 ± 0.0014 Å
• b: 8.4416 ± 0.0019 Å
• c: 7.602 ± 0.002 Å
• α: 108.05 ± 0.03°
• β: 93.71 ± 0.02°
• γ: 70.139 ± 0.014°
• Cell volume: 450.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes