Information card for entry 4333004

Structure parameters

• Formula: C8 H13 I N2
• Calculated formula: C8 H13 I N2
• SMILES: [I-].n1(c[n+](cc1)CC)CC=C
• Title of publication: A Supercooled Imidazolium Iodide Ionic Liquid as a Low-Viscosity Electrolyte for Dye-Sensitized Solar Cells
• Authors of publication: Fei, Zhaofu; Kuang, Daibin; Zhao, Dongbin; Klein, Cedric; Ang, Wee Han; Zakeeruddin, Shaik M.; Grätzel, Michael; Dyson, Paul J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10407 - 10409
• a: 8.5957 ± 0.0014 Å
• b: 9.8637 ± 0.0015 Å
• c: 12.232 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1037.1 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No