Information card for entry 7054482

Structure parameters

• Common name: bis-aminoguanidinium bis-(1-oxidotetrazolyl)-furoxane
• Chemical name: bis-aminoguanidinium bis-(1-oxidotetrazolyl)-furoxane
• Formula: C6 H14 N18 O4
• Calculated formula: C6 H14 N18 O4
• SMILES: [O-]n1nnnc1C1=N(ON=C1c1n([O-])nnn1)=O.N(N)C(=[NH2+])N.N(N)C(=[NH2+])N
• 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: 7.0135 ± 0.0007 Å
• b: 31.347 ± 0.002 Å
• c: 7.9795 ± 0.0007 Å
• α: 90°
• β: 115.793 ± 0.012°
• γ: 90°
• Cell volume: 1579.5 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No