Information card for entry 2238775

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(2-aminobenzyl)ethane-1,2-diaminium dinitrate
• Formula: C16 H24 N6 O6
• Calculated formula: C16 H24 N6 O6
• SMILES: Nc1ccccc1C[NH2+]CC[NH2+]Cc1ccccc1N.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-aminobenzyl)ethane-1,2-diaminium dinitrate
• Authors of publication: Garza Rodríguez, Luis Ángel; Elizondo Martínez, Perla; Bernès, Sylvain; Nájera Martínez, Blanca; Pérez Rodríguez, Nancy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1643 - o1644
• a: 11.041 ± 0.005 Å
• b: 5.76 ± 0.004 Å
• c: 30.069 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1912.3 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.612
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No