Information card for entry 4103810

Structure parameters

• Common name: potassium 5-azdotetrazolate
• Chemical name: potassium 5-azidotetrazolate
• Formula: C K N7
• Calculated formula: C K N7
• SMILES: [n-]1nnnc1N=N#N.[K+]
• 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: 9.7759 ± 0.0009 Å
• b: 6.299 ± 0.0006 Å
• c: 8.4533 ± 0.0006 Å
• α: 90°
• β: 96.72 ± 0.008°
• γ: 90°
• Cell volume: 516.96 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No