Information card for entry 7053223

Structure parameters

• Common name: triaminoguanidinium 1-methoxy-5-nitroiminotetrazolate
• Chemical name: triaminoguanidinium 1-methoxy-5-nitroiminotetrazolate
• Formula: C3 H12 N12 O3
• Calculated formula: C3 H12 N12 O3
• SMILES: c1(n(nnn1)OC)N=N([O-])=O.C(=[NH+]N)(NN)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: 6.9336 ± 0.0001 Å
• b: 7.9708 ± 0.0001 Å
• c: 10.6766 ± 0.0002 Å
• α: 103.98 ± 0.001°
• β: 97.668 ± 0.003°
• γ: 100.985 ± 0.001°
• Cell volume: 552.023 ± 0.016 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: 0.0408
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No