Information card for entry 7212982

Structure parameters

• Common name: Tetraethyl-ET
• Chemical name: Bis(1,2-diethyl-ethylenedithio)tetrathiafulvalene
• Formula: C18 H24 S8
• Calculated formula: C18 H24 S8
• Title of publication: Tetraalkyl- and dialkyl-substituted BEDT-TTF derivatives and their cation-radical salts: synthesis, structure, and properties
• Authors of publication: Kini, Aravinda M.; Parakka, James P.; Geiser, Urs; Wang, Hsien-Hau; Rivas, Felix; DiNino, Ernest; Thomas, Seddon; Dudek, James D.; Williams, Jack M.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 1999
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 883
• a: 13.9032 ± 0.0005 Å
• b: 13.9032 ± 0.0005 Å
• c: 23.9326 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4626.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections: 0.1002
• Weighted residual factors for significantly intense reflections: 0.0898
• Goodness-of-fit parameter for all reflections: 1.083
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No