Information card for entry 2103964

Structure parameters

• Formula: C10 H10 Cl2 N2
• Calculated formula: C10 H10 Cl2 N2
• SMILES: c1cc(c2cc[nH+]cc2)cc[nH+]1.[Cl-].[Cl-]
• Title of publication: Supramolecular aggregation in 4,4'-bipyridin-1,1'-ium dichloride, 4,4'-bipyridin-1,1'-ium dinitrate and 4,4'-bipyridin-1-ium bromide
• Authors of publication: Iyere, Peter Abeta; Boadi, William Y; Atwood, David; Parkin, Sean
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: 664 - 669
• a: 12.663 ± 0.001 Å
• b: 12.098 ± 0.001 Å
• c: 7.033 ± 0.001 Å
• α: 90°
• β: 112.6 ± 0.001°
• γ: 90°
• Cell volume: 994.7 ± 0.18 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No