Information card for entry 7213004

Structure parameters

• Formula: C24 H19 O4 S16
• Calculated formula: C24 H18 O4 S16
• Title of publication: Structural and electrical properties of bis(ethylenedithio)tetrathiafulvalenium hydrogen fumarate (2/1): a BEDT-TTF mixed-valency salt with a hydrogen-bonding organic anion
• Authors of publication: Giffard, Michel; Riou, Amédée; Mabon, Gilles; Mercier, Nicolas; Molinié, Philippe; Nguyen, Thien Phap
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 1999
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 851
• a: 6.135 ± 0.004 Å
• b: 8.107 ± 0.004 Å
• c: 16.981 ± 0.009 Å
• α: 79.98 ± 0.03°
• β: 79.68 ± 0.03°
• γ: 81.88 ± 0.04°
• Cell volume: 812.9 ± 0.8 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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 all reflections: 0.091
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.092
• Goodness-of-fit parameter for all reflections: 2.032
• Goodness-of-fit parameter for significantly intense reflections: 1.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No