Information card for entry 7004733

Structure parameters

• Formula: C K N5 O2
• Calculated formula: C K N5 O2
• SMILES: c1([n-]nnn1)N(=O)=O.[K+]
• Title of publication: Alkali metal 5-nitrotetrazolate salts: prospective replacements for service lead(ii) azide in explosive initiators
• Authors of publication: Klapötke, Thomas M.; Sabaté, Carles Miró; Welch, Jan M.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 45
• Pages of publication: 6372 - 6380
• a: 4.8268 ± 0.0003 Å
• b: 13.1717 ± 0.0008 Å
• c: 7.9423 ± 0.0006 Å
• α: 90°
• β: 96.363 ± 0.007°
• γ: 90°
• Cell volume: 501.84 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No