Information card for entry 4331495

Structure parameters

• Chemical name: 1,5-Diamino-1H-tetrazolium perchlorate
• Formula: C H5 Cl N6 O4
• Calculated formula: C H5 Cl N6 O4
• SMILES: n1(N)c([nH+]nn1)N.Cl(=O)(=O)(=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: 9.063 ± 0.003 Å
• b: 5.0125 ± 0.0016 Å
• c: 15.659 ± 0.005 Å
• α: 90°
• β: 100.022 ± 0.005°
• γ: 90°
• Cell volume: 700.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No