Information card for entry 4103809

Structure parameters

• Common name: sodium 5-azidotetrazolate monohydrate
• Chemical name: sodium 5-azidotetrazolate monohydrate
• Formula: C H2 N7 Na O
• Calculated formula: C H2 N7 Na O
• SMILES: [n-]1nnnc1N=N#N.O.[Na+]
• Title of publication: The CN~7~^-^ anion
• Authors of publication: Klapötke, Thomas M.; Stierstorfer, Jörg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 3
• Pages of publication: 1122 - 1134
• a: 11.203 ± 0.002 Å
• b: 7.138 ± 0.002 Å
• c: 14.409 ± 0.002 Å
• α: 90°
• β: 91.63 ± 0.01°
• γ: 90°
• Cell volume: 1151.8 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 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: 0.1028
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 0.713
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No