Information card for entry 7237983

Structure parameters

• Formula: C10 H10 S6
• Calculated formula: C10 H10 S6
• Title of publication: Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series
• Authors of publication: Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 40
• Pages of publication: 12664
• a: 8.2254 ± 0.0002 Å
• b: 12.4077 ± 0.0002 Å
• c: 13.2789 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1355.22 ± 0.05 ų
• Cell temperature: 153.26 ± 0.1 K
• Ambient diffraction temperature: 153.26 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0238
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No