Information card for entry 7054475

Structure parameters

• Common name: bisammonium 4,5-bis(1-oxidotetrazolyl)furoxane
• Chemical name: bisammonium 4,5-bis(1-oxidotetrazolyl)furoxane
• Formula: C4 H8 N12 O4
• Calculated formula: C4 H8 N12 O4
• SMILES: [O-]n1nnnc1C1=N(=O)ON=C1c1nnnn1[O-].[NH4+].[NH4+]
• Title of publication: Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles
• Authors of publication: Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 1619
• a: 7.5509 ± 0.0013 Å
• b: 7.844 ± 0.0015 Å
• c: 18.562 ± 0.003 Å
• α: 90°
• β: 94.987 ± 0.016°
• γ: 90°
• Cell volume: 1095.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No