Information card for entry 2213051

Structure parameters

• Chemical name: 1,1'-Dimethyl-4,4'-bipyridinium bis(perchlorate)
• Formula: C12 H14 Cl2 N2 O8
• Calculated formula: C12 H14 Cl2 N2 O8
• SMILES: c1cc(cc[n+]1C)c1cc[n+](cc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: 1,1'-Dimethyl-4,4'-bipyridinium bis(perchlorate)
• Authors of publication: Dou, Yan-Li; Li, Zhi-Gang; Xu, Jing-Wei; Zhang, Wan-Xi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1874 - o1875
• a: 5.7874 ± 0.0013 Å
• b: 8.8352 ± 0.0019 Å
• c: 15.125 ± 0.003 Å
• α: 90°
• β: 96.972 ± 0.003°
• γ: 90°
• Cell volume: 767.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes