Information card for entry 7054483

Structure parameters

• Common name: dipotassium bis(1-oxidotetrazolyl)furazane dihydrate
• Chemical name: dipotassium bis(1-oxidotetrazolyl)furazane dihydrate
• Formula: C4 H4 K2 N10 O5
• Calculated formula: C4 H4 K2 N10 O5
• SMILES: [O-]n1nnnc1c1nonc1c1n([O-])nnn1.[K+].O.O.[K+]
• 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: 7.4337 ± 0.0004 Å
• b: 21.6146 ± 0.0009 Å
• c: 7.5901 ± 0.0004 Å
• α: 90°
• β: 97.741 ± 0.005°
• γ: 90°
• Cell volume: 1208.44 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0307
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No