Information card for entry 2008960

Structure parameters

• Common name: ethyl viologen diiodide
• Chemical name: N,N'-diethyl-4,4'-bipyridinium diiodide
• Formula: C14 H18 I2 N2
• Calculated formula: C14 H18 I2 N2
• SMILES: c1cc(cc[n+]1CC)c1cc[n+](cc1)CC.[I-].[I-]
• Title of publication: <i>N</i>,<i>N</i>'-Diethyl-4,4'-bipyridinium diiodide
• Authors of publication: Eckert, Nathan A.; Krause Bauer, Jeanette A.; Connick, William B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: IUC9900101
• a: 6.1965 ± 0.0012 Å
• b: 13.025 ± 0.003 Å
• c: 10.419 ± 0.002 Å
• α: 90°
• β: 103.88 ± 0.03°
• γ: 90°
• Cell volume: 816.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.033
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes