Information card for entry 7051677

Structure parameters

• Formula: C4 H16 N16 O4
• Calculated formula: C4 H16 N16 O4
• SMILES: c1([n-]nnn1)/N=N/c1[n-]nnn1.O=C(N)N[NH3+].O.C(=O)(N)N[NH3+].O
• 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: 4.563 ± 0.001 Å
• b: 7.362 ± 0.002 Å
• c: 11.334 ± 0.001 Å
• α: 105.125 ± 0.001°
• β: 90.933 ± 0.001°
• γ: 102.871 ± 0.002°
• Cell volume: 357.19 ± 0.13 ų
• Cell temperature: 100 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No