Information card for entry 2224473

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(2-ammoniobenzyl)ethane-1,2-diammonium‒nitrate‒ perchlorate (1/1.5/2.5)
• Formula: C16 H26 Cl2.5 N5.5 O14.5
• Calculated formula: C16 H26 Cl2.5 N5.5 O14.5
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-ammoniobenzyl)ethane-1,2-diammonium‒nitrate‒perchlorate (1/1.5/2.5)
• Authors of publication: Garza Rodríguez, Luis Angel; Bernès, Sylvain; Nájera Martínez, Blanca; Elizondo Martínez, Perla; Pérez Rodríguez, Nancy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o2995
• a: 8.427 ± 0.003 Å
• b: 12.637 ± 0.003 Å
• c: 11.834 ± 0.003 Å
• α: 90°
• β: 106.97 ± 0.02°
• γ: 90°
• Cell volume: 1205.4 ± 0.6 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Cell measurement pressure: 101 ± 2 kPa
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes