Information card for entry 4319946

Structure parameters

• Formula: C2 H12 N14 O
• Calculated formula: C2 H12 N14 O
• SMILES: c1(/N=N/c2[n-]nnn2)[n-]nnn1.[NH3+]N.O.[NH3+]N
• Title of publication: [N2H5]+2[N4C-NN-CN4]2-: A New High-Nitrogen High-Energetic Material
• Authors of publication: Anton Hammerl; Thomas M. Klapötke; Heinrich Nöth; Marcus Warchhold; Gerhard Holl; Manfred Kaiser; Uldis Ticmanis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3570 - 3575
• a: 8.9575 ± 0.0019 Å
• b: 3.6596 ± 0.0007 Å
• c: 16.2 ± 0.003 Å
• α: 90°
• β: 96.834 ± 0.003°
• γ: 90°
• Cell volume: 527.28 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No