Information card for entry 7053222

Structure parameters

• Common name: diaminoguanidinium 1-methoxy-5-nitroiminotetrazolate
• Chemical name: diaminoguanidinium 1-methoxy-5-nitroiminotetrazolate
• Formula: C3 H11 N11 O3
• Calculated formula: C3 H11 N11 O3
• SMILES: c1(nnnn1OC)N=N([O-])=O.NNC(=[NH2+])NN
• Title of publication: Energetic salts based on 1-methoxy-5-nitroiminotetrazole
• Authors of publication: Joo, Young-Hyuk; Chung, Jin Hyuk; Cho, Soo Gyeong; Goh, Eun Mee
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 4
• Pages of publication: 1180
• a: 6.5764 ± 0.0012 Å
• b: 9.2377 ± 0.0017 Å
• c: 9.8647 ± 0.0018 Å
• α: 105.849 ± 0.004°
• β: 100.993 ± 0.004°
• γ: 103.37 ± 0.004°
• Cell volume: 539.86 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.053
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No