Information card for entry 2224940

Structure parameters

• Chemical name: Bis(2-amino-3-nitropyridinium) dihydrogendiphosphate
• Formula: C10 H14 N6 O11 P2
• Calculated formula: C10 H14 N6 O11 P2
• SMILES: P(=O)([O-])(O)OP(=O)([O-])O.O=N(=O)c1ccc[nH+]c1N.O=N(=O)c1ccc[nH+]c1N
• Title of publication: Bis(2-amino-3-nitropyridinium) dihydrogendiphosphate
• Authors of publication: Toumi Akriche, Samah; Rzaigui, Mohamed; Elothman, Zeid Abdellah; Mahfouz, Refaat Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o358
• a: 34.25 ± 0.005 Å
• b: 5.763 ± 0.002 Å
• c: 8.991 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1774.7 ± 0.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes