Information card for entry 7215084

Structure parameters

• Common name: TKX-50
• Chemical name: bishydroxylammonium 5,5-bis(1-oxidotetrazolate
• Formula: C2 H8 N10 O4
• Calculated formula: C2 H8 N10 O4
• SMILES: n1(nnnc1c1n(nnn1)[O-])[O-].[NH3+]O.[NH3+]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: 5.4872 ± 0.0008 Å
• b: 11.5472 ± 0.0015 Å
• c: 6.4833 ± 0.0009 Å
• α: 90°
• β: 95.402 ± 0.012°
• γ: 90°
• Cell volume: 408.97 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No