Information card for entry 7053220

Structure parameters

• Common name: guanidinium 1-methoxy-5-nitroiminotetrazolate
• Chemical name: guanidinium 1-methoxy-5-nitroiminotetrazolate
• Formula: C3 H9.66667 N9 O3.33333
• Calculated formula: C3 H9.66667 N9 O3.33333
• SMILES: c1(n(nnn1)OC)N=N([O-])=O.[NH2+]=C(N)N.O
• 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: 7.592 ± 0.0004 Å
• b: 13.7908 ± 0.0008 Å
• c: 15.7389 ± 0.0009 Å
• α: 114.474 ± 0.002°
• β: 100.409 ± 0.001°
• γ: 90.831 ± 0.005°
• Cell volume: 1467.75 ± 0.15 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: 0.0598
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No