Information card for entry 2222672

Structure parameters

• Common name: 2-Amino-5-nitropyridinium perrhenate monohydrate
• Chemical name: 2-Amino-5-nitropyridinium tetraoxidorhenate(VII) monohydrate
• Formula: C5 H8 N3 O7 Re
• Calculated formula: C5 H8 N3 O7 Re
• SMILES: [nH+]1c(N)ccc(N(=O)=O)c1.O.[Re](=O)(=O)(=O)[O-]
• Title of publication: 2-Amino-5-nitropyridinium tetraoxidorhenate(VII) monohydrate
• Authors of publication: Rodrigues, V. H.; Costa, M. M. R. R.; Dekola, T.; de Matos Gomes, E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m1000
• a: 9.6914 ± 0.0003 Å
• b: 9.1357 ± 0.0003 Å
• c: 13.4636 ± 0.0004 Å
• α: 90°
• β: 120.12 ± 0.002°
• γ: 90°
• Cell volume: 1031.08 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0175
• Residual factor for significantly intense reflections: 0.0145
• Weighted residual factors for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.0334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes