Information card for entry 7020066

Structure parameters

• Common name: dihydroxylammonium 5,5-azoxy-tetrazolate dihydrate
• Chemical name: dihydroxylammonium 5,5-azoxy-tetrazolate dihydrate
• Formula: C2 H12 N12 O5
• Calculated formula: C2 H12 N12 O5
• SMILES: [NH3+]O.[NH3+]O.O.O.N(N(c1[n-]nnn1)[O-])=c1nnnn1
• Title of publication: 5,5'-Azoxytetrazolates - a new nitrogen-rich dianion and its comparison to 5,5'-azotetrazolate.
• Authors of publication: Fischer, Niko; Hüll, Katharina; Klapötke, Thomas M; Stierstorfer, Jörg; Laus, Gerhard; Hummel, Michael; Froschauer, Carmen; Wurst, Klaus; Schottenberger, Herwig
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 36
• Pages of publication: 11201 - 11211
• a: 8.0709 ± 0.0006 Å
• b: 22.2329 ± 0.0015 Å
• c: 6.7382 ± 0.0006 Å
• α: 90°
• β: 102.014 ± 0.007°
• γ: 90°
• Cell volume: 1182.62 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 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: 0.0813
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No