Information card for entry 2016417

Structure parameters

• Chemical name: pyridinium dinitramidate
• Formula: C5 H6 N4 O4
• Calculated formula: C5 H6 N4 O4
• SMILES: c1[nH+]cccc1.[N-](N(=O)=O)N(=O)=O
• Title of publication: Oxygen <i>versus</i> nitrogen interactions in lithium dinitramidate dihydrate and pyridinium dinitramidate
• Authors of publication: Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m17 - m19
• a: 3.7009 ± 0.0002 Å
• b: 14.4548 ± 0.0007 Å
• c: 14.6214 ± 0.0008 Å
• α: 90°
• β: 94.281 ± 0.006°
• γ: 90°
• Cell volume: 780 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes