Information card for entry 7004732

Structure parameters

• Formula: C H4 N5 Na O4
• Calculated formula: C H4 N5 Na O4
• SMILES: c1([n-]nnn1)N(=O)=O.[Na+].O.O
• 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: 6.4266 ± 0.0009 Å
• b: 7.8747 ± 0.0014 Å
• c: 8.18 ± 0.003 Å
• α: 104.663 ± 0.013°
• β: 109.778 ± 0.015°
• γ: 110.281 ± 0.015°
• Cell volume: 331.67 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No