Information card for entry 2224385

Structure parameters

• Chemical name: Poly[μ-aqua-diaqua(μ~2~-pyrazine-2,3-dicarboxylato)dilithium(I)]
• Formula: C6 H8 Li2 N2 O7
• Calculated formula: C6 H8 Li2 N2 O7
• SMILES: O=C(c1c(C(=O)[O-])nccn1)[O-].O.O.O.[Li+].[Li+]
• Title of publication: Poly[μ-aqua-diaqua(μ~2~-pyrazine-2,3-dicarboxylato)dilithium(I)]
• Authors of publication: Tombul, Mustafa; Guven, Kutalmis
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1704 - m1705
• a: 7.487 ± 0.003 Å
• b: 16.409 ± 0.008 Å
• c: 7.958 ± 0.002 Å
• α: 90°
• β: 92.92 ± 0.03°
• γ: 90°
• Cell volume: 976.4 ± 0.7 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 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: 0.187
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes