Information card for entry 2237183

Structure parameters

• Chemical name: Poly[(μ~4~-3-carboxypyrazine-2-carboxylato)(μ~4~-nitrato)dilithium]
• Formula: C6 H3 Li2 N3 O7
• Calculated formula: C6 H3 Li2 N3 O7
• SMILES: c1(c(C(=O)[O-])nccn1)C(=O)O.N(=O)(=O)[O-].[Li+].[Li+]
• Title of publication: Poly[(μ~4~-3-carboxypyrazine-2-carboxylato)(μ~4~-nitrato)dilithium]
• Authors of publication: Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: m62
• a: 4.6273 ± 0.0001 Å
• b: 15.8565 ± 0.0003 Å
• c: 6.1719 ± 0.0002 Å
• α: 90°
• β: 95.598 ± 0.002°
• γ: 90°
• Cell volume: 450.69 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes