Information card for entry 7213075

Structure parameters

• Common name: EDT-TTF-CONMe2
• Chemical name: 3-dimethylamido-3',4'-ethylenedithiotetrathiafulvalene
• Formula: C11 H11 N O S6
• Calculated formula: C11 H11 N O S6
• Title of publication: The crystal chemistry of amide‐functionalized ethylenedithiotetrathiafulvalenes: EDT‐TTF‐CONRR′ (R, R′ = H, Me)
• Authors of publication: Heuzé, Karine; Fourmigué, Marc; Batail, Patrick
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 1999
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 2373
• a: 6.299 ± 0.0013 Å
• b: 7.886 ± 0.002 Å
• c: 29.631 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1471.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1987
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.1998
• Weighted residual factors for significantly intense reflections: 0.1092
• Goodness-of-fit parameter for all reflections: 0.921
• Goodness-of-fit parameter for significantly intense reflections: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No