Information card for entry 7040955

Structure parameters

• Chemical name: G2btm
• Formula: C5 H14 N14
• Calculated formula: C5 H14 N14
• SMILES: [n-]1nnnc1Cc1[n-]nnn1.NC(=[NH2+])N.NC(=[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: 14.452 ± 0.004 Å
• b: 4.6313 ± 0.0013 Å
• c: 17.861 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1195.5 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No