Information card for entry 7020064

Structure parameters

• Common name: disodium 5,5-azoxybistetrazolate pentahydrate
• Formula: C2 H10 N10 Na2 O6
• Calculated formula: C2 H10 N10 Na2 O6
• SMILES: c1([n-]nn(n1))/N=N(/c1[n-]nnn1)=O.O.O.O.[Na+].O.[Na+].O
• 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: 7.2189 ± 0.0006 Å
• b: 7.6977 ± 0.0005 Å
• c: 11.9774 ± 0.0009 Å
• α: 82.844 ± 0.005°
• β: 81.99 ± 0.004°
• γ: 68.294 ± 0.004°
• Cell volume: 610.41 ± 0.08 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No