Information card for entry 7040957

Structure parameters

• Chemical name: AG2btm
• Formula: C5 H16 N16
• Calculated formula: C5 H16 N16
• SMILES: [n-]1nnnc1Cc1[n-]nnn1.N(N)C(=[NH2+])N.N(N)C(=[NH2+])N
• Title of publication: Carbonyl-bridged energetic materials: biomimetic synthesis, organic catalytic synthesis, and energetic performances.
• Authors of publication: Feng, Yong-An; Qiu, Hao; Yang, Sa-Sha; Du, Jiang; Zhang, Tong-Lai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17117 - 17122
• a: 4.4701 ± 0.0014 Å
• b: 17.557 ± 0.006 Å
• c: 8.4 ± 0.003 Å
• α: 90°
• β: 93.512 ± 0.003°
• γ: 90°
• Cell volume: 658 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No