Information card for entry 2230400

Structure parameters

• Chemical name: Poly[(μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-pyrimidinium-2-carboxylato- κ^2^<i>O</i>:<i>O</i>')lithium(I)]
• Formula: C5 H4 Li N3 O5
• Calculated formula: C5 H4 Li N3 O5
• SMILES: c1(C(=O)[O-])nccc[nH+]1.[Li+].[O-]N(=O)=O
• Title of publication: Poly[(μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-pyrimidinium-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')lithium(I)]
• Authors of publication: Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m818
• a: 12.403 ± 0.003 Å
• b: 9.329 ± 0.0019 Å
• c: 12.81 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1482.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes