Information card for entry 7158241

Structure parameters

• Formula: C12 H20 I6 N4
• Calculated formula: C12 H20 I6 N4
• Title of publication: Halogen bonding effect on electrochemical anion oxidation in ionic liquids.
• Authors of publication: Alvarez, Marie Stacey; Houzé, Cedric; Groni, Sihem; Schöllhorn, Bernd; Fave, Claire
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 35
• Pages of publication: 7587 - 7593
• a: 15.7331 ± 0.0003 Å
• b: 13.3955 ± 0.0003 Å
• c: 23.5749 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4968.47 ± 0.18 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No