Information card for entry 4319947

Structure parameters

• Formula: C2 H18 N18
• Calculated formula: C2 H18 N18
• SMILES: N(/c1[n-]nnn1)=N\c1[n-]nnn1.NN.N[NH3+].NN.N[NH3+]
• 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: 4.6208 ± 0.0006 Å
• b: 8.5854 ± 0.0012 Å
• c: 9.2705 ± 0.0013 Å
• α: 108.486 ± 0.002°
• β: 95.29 ± 0.002°
• γ: 102.991 ± 0.002°
• Cell volume: 334.51 ± 0.08 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No