Information card for entry 2234946

Structure parameters

• Chemical name: 3,3'-Carbonyldipyridinium diperchlorate
• Formula: C11 H10 Cl2 N2 O9
• Calculated formula: C11 H10 Cl2 N2 O9
• SMILES: c1ccc(c[nH+]1)C(=O)c1ccc[nH+]c1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: 3,3'-Carbonyldipyridinium bis(perchlorate)
• Authors of publication: Zhang, Ya; Li, Ai-min; Wang, Zhi-wei; Wan, Chong-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1896
• a: 8.5315 ± 0.0003 Å
• b: 15.1772 ± 0.0006 Å
• c: 5.6107 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 726.5 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.029
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes