Information card for entry 2226148

Structure parameters

• Chemical name: 2-Amino-3-nitropyridinium perrhenate
• Formula: C5 H6 N3 O6 Re
• Calculated formula: C5 H6 N3 O6 Re
• SMILES: [Re](=O)(=O)(=O)[O-].O=N(=O)c1c([nH+]ccc1)N
• Title of publication: 2-Amino-3-nitropyridinium perrhenate
• Authors of publication: Al Othman, Zeid Abdellah; Toumi Akriche, Samah; Rzaigui, Mohamed; Mahfouz, Refaat Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m689
• a: 6.235 ± 0.003 Å
• b: 22.03 ± 0.002 Å
• c: 7.84 ± 0.006 Å
• α: 90°
• β: 117.52 ± 0.05°
• γ: 90°
• Cell volume: 955 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes