Information card for entry 7000663

Structure parameters

• Formula: C3 H4 K N9 O3
• Calculated formula: C3 H4 K N9 O3
• SMILES: [K+].n1(nc(nn1)N(=O)=O)Cc1[n-]nnn1.O
• Title of publication: Alkali and transition metal (Ag, Cu) salts of bridged 5-nitrotetrazole derivatives for energetic applications
• Authors of publication: Klapötke, Thomas M.; Sabaté, Carles Miró; Rasp, Matthias
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 10
• Pages of publication: 1825 - 1834
• a: 7.5296 ± 0.0003 Å
• b: 7.6976 ± 0.0003 Å
• c: 17.6101 ± 0.0008 Å
• α: 84.707 ± 0.003°
• β: 78.411 ± 0.004°
• γ: 69.76 ± 0.004°
• Cell volume: 937.84 ± 0.07 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 all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No