Information card for entry 7215086

Structure parameters

• Common name: 5,5-bis(1-hydroxy-tetrazole) dimethanolate
• Chemical name: 5,5-bis(1-hydroxy-tetrazole) dimethanolate
• Formula: C4 H10 N8 O4
• Calculated formula: C4 H10 N8 O4
• SMILES: CO.On1c(c2n(nnn2)O)nnn1.CO
• 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: 7.6818 ± 0.001 Å
• b: 6.7692 ± 0.0012 Å
• c: 18.884 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 982 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No