Information card for entry 7240730

Structure parameters

• Common name: hexamine picric acid salt
• Formula: C12 H15 N7 O7
• Calculated formula: C12 H15 N7 O7
• 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: 12.462 ± 0.002 Å
• b: 6.7318 ± 0.0011 Å
• c: 18.747 ± 0.003 Å
• α: 90°
• β: 107.065 ± 0.005°
• γ: 90°
• Cell volume: 1503.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1764
• 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