Information card for entry 7203946

Structure parameters

• Formula: C15 H12 Cl O4 S12
• Calculated formula: C15 H8 Cl O4 S12
• Title of publication: First radical cation salts from the symmetrical outer S‐position isomer of BEDT-TTF
• Authors of publication: Le Moustarder, S.; Hudhomme, P.; Durand, C.; Mercier, N.; Azcondo, M. T.; Delhaes, P.; Riou, A.; Gorgues, A.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2000
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 617
• a: 11.953 ± 0.004 Å
• b: 14.701 ± 0.002 Å
• c: 13.917 ± 0.004 Å
• α: 90°
• β: 93.77 ± 0.02°
• γ: 90°
• Cell volume: 2440.2 ± 1.1 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.08
• Goodness-of-fit parameter for all reflections: 2.229
• Goodness-of-fit parameter for significantly intense reflections: 2.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No