Information card for entry 7051678

Structure parameters

• Formula: C4 H14 N10 O3
• Calculated formula: C4 H14 N10 O3
• Title of publication: New energetic compounds based on the nitrogen-rich 5,5′-azotetrazolate anion ([C2N10]2−)
• Authors of publication: Klapötke, Thomas M.; Sabaté, Carles Miró
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1605
• a: 9.3101 ± 0.0003 Å
• b: 6.5383 ± 0.0002 Å
• c: 19.5637 ± 0.0005 Å
• α: 90°
• β: 90.481 ± 0.002°
• γ: 90°
• Cell volume: 1190.84 ± 0.06 ų
• Cell temperature: 200 ± 2 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: 0.0676
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No