Information card for entry 2216950

Structure parameters

• Chemical name: 4,4'-Bis(acetylamino)-1,1'-ethylenedipyridinium bis(tetrafluoroborate)
• Formula: C16 H20 B2 F8 N4 O2
• Calculated formula: C16 H20 B2 F8 N4 O2
• SMILES: [n+]1(ccc(NC(=O)C)cc1)CC[n+]1ccc(NC(=O)C)cc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: 4,4'-Bis(acetylamino)-1,1'-ethylenedipyridinium bis(tetrafluoridoborate)
• Authors of publication: Li, Jiang-Sheng; Liu, Wei-Dong; Yang, Dao-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o35 - o35
• a: 11.368 ± 0.002 Å
• b: 19.422 ± 0.004 Å
• c: 9.0959 ± 0.0018 Å
• α: 90°
• β: 101.12 ± 0.03°
• γ: 90°
• Cell volume: 1970.6 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes