Information card for entry 2224971

Structure parameters

• Chemical name: Poly[(μ~5~-2-methyl-3,5-dinitrobenzoato)sodium]
• Formula: C8 H5 N2 Na O6
• Calculated formula: C8 H5 N2 Na O6
• SMILES: [Na+].[O-]C(=O)c1c(c(N(=O)=O)cc(c1)N(=O)=O)C
• Title of publication: Poly[(μ~5~-2-methyl-3,5-dinitrobenzoato)sodium]
• Authors of publication: Danish, Muhammad; Saleem, Iram; Ahmad, Nazir; Raza, Abdul Rauf; Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m137
• a: 27.8428 ± 0.0013 Å
• b: 10.452 ± 0.002 Å
• c: 6.642 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1932.9 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes