Information card for entry 7219996

Structure parameters

• Chemical name: (exo-methylene-BEDT-TTF)triiodide.0.5iodine.
• Formula: C11 H8 I4 S8
• Calculated formula: C11 H8 I4 S8
• Title of publication: Exo-Methylene-BEDT-TTF and Alkene-functionalised BEDT-TTF Derivatives: Synthesis and Radical Cation Salts
• Authors of publication: Zecchini, Matteo; Lopez, Jordan R.; Allen, Scott; Coles, Simon; Wilson, Claire; Akutsu, Hiroki; Martin, Lee; Wallis, John D.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.2014 ± 0.0015 Å
• b: 9.1986 ± 0.0016 Å
• c: 15.637 ± 0.003 Å
• α: 86.967 ± 0.01°
• β: 86.049 ± 0.01°
• γ: 72.972 ± 0.007°
• Cell volume: 1124.6 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No