Information card for entry 7020067

Structure parameters

• Common name: bisdiaminoguanidinium 5,5-azoxy-tetrazolate monohydrate
• Chemical name: bisdiaminoguanidinium 5,5-azoxy-tetrazolate monohydrate
• Formula: C4 H18 N20 O2
• Calculated formula: C4 H18 N20 O2
• SMILES: [O-]N(N=c1nnnn1)c1[n-]nnn1.[NH2+]=C(NN)NN.[NH2+]=C(NN)NN.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: 6.6702 ± 0.0005 Å
• b: 10.088 ± 0.0008 Å
• c: 12.7314 ± 0.0011 Å
• α: 68.218 ± 0.008°
• β: 84.845 ± 0.007°
• γ: 76.76 ± 0.007°
• Cell volume: 774.36 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No