Information card for entry 7054476

Structure parameters

• Common name: bishydroxyammonium 4,5-bis(1-oxidotetrazolyl)furoxane monohydrate
• Chemical name: bishydroxyammonium 4,5-bis(1-oxidotetrazolyl)furoxane monohydrate
• Formula: C4 H10 N12 O7
• Calculated formula: C4 H10 N12 O7
• SMILES: [O-]n1nnnc1C1=N(=O)ON=C1c1n([O-])nnn1.O[NH3+].O[NH3+].O
• 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: 8.0286 ± 0.0012 Å
• b: 8.0668 ± 0.0011 Å
• c: 9.6666 ± 0.0015 Å
• α: 90°
• β: 90.004 ± 0.012°
• γ: 90°
• Cell volume: 626.06 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No