Information card for entry 2103965

Structure parameters

• Formula: C10 H10 N4 O6
• Calculated formula: C10 H10 N4 O6
• SMILES: c1(cc[nH+]cc1)c1cc[nH+]cc1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• 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: 27.438 ± 0.0016 Å
• b: 23.431 ± 0.0012 Å
• c: 3.5877 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2306.5 ± 0.2 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No