Information card for entry 2232891

Structure parameters

• Chemical name: Bis[(4-cyanobenzyl)ammonium] bis(perchlorate) monohydrate
• Formula: C16 H20 Cl2 N4 O9
• Calculated formula: C16 H20 Cl2 N4 O9
• Title of publication: Bis[(4-cyanobenzyl)ammonium] bis(perchlorate) monohydrate
• Authors of publication: Huang, Yao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3431
• a: 5.0305 ± 0.001 Å
• b: 13.616 ± 0.003 Å
• c: 16.695 ± 0.003 Å
• α: 66.79 ± 0.03°
• β: 86.17 ± 0.03°
• γ: 88.97 ± 0.03°
• Cell volume: 1048.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes