Information card for entry 2241060

Structure parameters

• Chemical name: Ammonium bis[(pyridin-2-yl)methyl]ammonium dichloride
• Formula: C12 H18 Cl2 N4
• Calculated formula: C12 H18 Cl2 N4
• Title of publication: Crystal structure of ammonium bis[(pyridin-2-yl)methyl]ammonium dichloride
• Authors of publication: Trischler, Aaron; Oshin, Kayode; Pintauer, Tomislav
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: o692 - o693
• a: 8.895 ± 0.001 Å
• b: 17.676 ± 0.002 Å
• c: 4.436 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 697.46 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes