Information card for entry 4001175

Structure parameters

• Common name: diaminoguanidinium 1-methyl-5-nitriminotetrazolate monohydrate
• Chemical name: diaminoguanidinium 1-methyl-5-nitriminotetrazolate monohydrate
• Formula: C3 H13 N11 O3
• Calculated formula: C3 H13 N11 O3
• SMILES: O=N([O-])=Nc1n(C)nnn1.O.NNC(=[NH2+])NN
• Title of publication: Nitrogen-Rich Salts of 1-Methyl-5-nitriminotetrazolate: An Auspicious Class of Thermally Stable Energetic Materials
• Authors of publication: Klapötke, Thomas M.; Stierstorfer, Jörg; Wallek, Andreas U.
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 13
• Pages of publication: 4519
• a: 7.081 ± 0.002 Å
• b: 7.3612 ± 0.0018 Å
• c: 10.515 ± 0.003 Å
• α: 80.68 ± 0.02°
• β: 88.59 ± 0.02°
• γ: 74.05 ± 0.02°
• Cell volume: 519.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 200 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: 0.0414
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No