Information card for entry 7215088

Structure parameters

• Common name: 5,5-bis(1-hydroxy-tetrazole) dihydrate
• Chemical name: 5,5-bis(1-hydroxy-tetrazole) dihydrate
• Formula: C2 H6 N8 O4
• Calculated formula: C2 H6 N8 O4
• SMILES: c1(n(nnn1)O)c1n(nnn1)O.O.O
• Title of publication: Pushing the limits of energetic materials – the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate
• Authors of publication: Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 38
• Pages of publication: 20418
• a: 7.7443 ± 0.0003 Å
• b: 6.2459 ± 0.0003 Å
• c: 8.7 ± 0.0003 Å
• α: 90°
• β: 116.052 ± 0.002°
• γ: 90°
• Cell volume: 378.06 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No