Information card for entry 4331493

Structure parameters

• Chemical name: 1,5-Diamino-4-methyl-tetrazolium nitrate
• Formula: C2 H7 N7 O3
• Calculated formula: C2 H7 N7 O3
• SMILES: n1(nn[n+](N)c1N)C.O=N(=O)[O-]
• 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: 18.5473 ± 0.0017 Å
• b: 30.709 ± 0.003 Å
• c: 5.4881 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3125.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No