Information card for entry 4340429

Structure parameters

• Formula: C H5 N7 O3
• Calculated formula: C H5 N7 O3
• SMILES: O=N(=O)[O-].n1(nn[nH+]c1N)N
• Title of publication: Derivatives of 1,5-diamino-1H-tetrazole: a new family of energetic heterocyclic-based salts.
• Authors of publication: Gálvez-Ruiz, Juan Carlos; Holl, Gerhard; Karaghiosoff, Konstantin; Klapötke, Thomas M; Löhnwitz, Karolin; Mayer, Peter; Nöth, Heinrich; Polborn, Kurt; Rohbogner, Christoph J.; Suter, Max; Weigand, Jan J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4237 - 4253
• a: 17.898 ± 0.003 Å
• b: 5.2292 ± 0.0008 Å
• c: 14.479 ± 0.002 Å
• α: 90°
• β: 112.23 ± 0.011°
• γ: 90°
• Cell volume: 1254.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.0829
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No