Information card for entry 7240733

Structure parameters

• Common name: triamine picric acid salt, 1:3
• Formula: C25 H31 N13 O22
• Calculated formula: C25 H31 N13 O22
• 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: 8.4362 ± 0.0009 Å
• b: 12.5183 ± 0.0014 Å
• c: 18.3788 ± 0.0019 Å
• α: 72.109 ± 0.003°
• β: 83.298 ± 0.003°
• γ: 72.28 ± 0.003°
• Cell volume: 1758.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No