Information card for entry 2010878

Structure parameters

• Common name: BEDT-TTF
• Chemical name: bis(ethylenedithio)tetrathiafulvalene
• Formula: C10 H8 S8
• Calculated formula: C10 H8 S8
• SMILES: S1C2=C(SCCS2)S\C1=C1SC2=C(S\1)SCCS2
• Title of publication: Neutral bis(ethylenedithio)tetrathiafulvalene at 100K
• Authors of publication: Philippe Guionneau; Daniel Chasseau; Judith A.K. Howard; Peter Day
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 453 - 454
• a: 6.6583 ± 0.0001 Å
• b: 13.733 ± 0.002 Å
• c: 17.414 ± 0.001 Å
• α: 90°
• β: 116.57 ± 0.01°
• γ: 90°
• Cell volume: 1424.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes