Information card for entry 7240732

Structure parameters

• Common name: triamine picric acid salt, 1:1
• Formula: C12 H21 N7 O7
• Calculated formula: C12 H21 N7 O7
• SMILES: [O-]c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.NCCN(CCN)CC[NH3+]
• Title of publication: Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion
• Authors of publication: Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 6.9949 ± 0.0009 Å
• b: 12.5916 ± 0.0019 Å
• c: 19.969 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1758.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1804
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No