Information card for entry 2235531

Structure parameters

• Common name: lithium pyrazinate
• Chemical name: Poly[μ~2~-aqua-μ~2~-(pyrazine-2-carboxylato)-lithium]
• Formula: C5 H5 Li N2 O3
• Calculated formula: C5 H5 Li N2 O3
• SMILES: [Li]1([O]2C(=O)c3c[n]1ccn3)[OH2][Li]12(OC(=O)c2c[n]1ccn2)[OH2]
• Title of publication: Poly[μ~2~-aqua-μ~2~-(pyrazine-2-carboxylato)-lithium]
• Authors of publication: Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m933 - m934
• a: 24.433 ± 0.005 Å
• b: 4.7861 ± 0.001 Å
• c: 5.6385 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 659.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes