Information card for entry 2016194

Structure parameters

• Chemical name: 2-hydroxy-<i>N</i>,<i>N</i>'-bis(2-nitrobenzyl)propane-1,3-diammonium dichloride
• Formula: C17 H22 Cl2 N4 O5
• Calculated formula: C17 H22 Cl2 N4 O5
• Title of publication: Acyclic Schiff base salts derived from 1,3-diaminopropane and 1,3-diamino-2-hydroxypropane
• Authors of publication: Rodríguez de Barbarín, Cecilia; Bernès, Sylvain; Nájera, Blanca; Elizondo, Perla
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o597 - o599
• a: 7.075 ± 0.002 Å
• b: 15.844 ± 0.008 Å
• c: 18.554 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2079.8 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0811
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes