Information card for entry 2211244

Structure parameters

• Chemical name: 2,6-Bis(2-pyridylamino)pyridinium perchlorate
• Formula: C15 H14 Cl N5 O4
• Calculated formula: C15 H14 Cl N5 O4
• SMILES: c1cccc(n1)Nc1cccc(Nc2ccccn2)[nH+]1.[O-]Cl(=O)(=O)=O
• Title of publication: 2,6-Bis(2-pyridylamino)pyridinium perchlorate
• Authors of publication: Guo-Bing Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5296 - o5297
• a: 10.656 ± 0.002 Å
• b: 19.538 ± 0.005 Å
• c: 7.816 ± 0.0015 Å
• α: 90°
• β: 105.624 ± 0.003°
• γ: 90°
• Cell volume: 1567.1 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes