Information card for entry 4103807

Structure parameters

• Common name: guanidinium 5-azidotetrazolate
• Chemical name: guanidinium 5-azidotetrazolate
• Formula: C2 H7 N10 O0.5
• Calculated formula: C2 H7 N10 O0.5
• SMILES: [n-]1c(N=N#N)nnn1.NC(=[NH2+])N.O
• Title of publication: The CN~7~^-^ anion
• Authors of publication: Klapötke, Thomas M.; Stierstorfer, Jörg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 3
• Pages of publication: 1122 - 1134
• a: 9.5374 ± 0.0008 Å
• b: 15.312 ± 0.0009 Å
• c: 10.5731 ± 0.0006 Å
• α: 90°
• β: 94.361 ± 0.007°
• γ: 90°
• Cell volume: 1539.59 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1619
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No