Information card for entry 7125083

Structure parameters

• Formula: C20 H20 As F6 S12
• Calculated formula: C20.008 H20.008 As F6 S12
• Title of publication: Anion size control of the packing in the metallic versus semiconducting chiral radical cation salts (DM-EDT-TTF)₂XF₆ (X = P, As, Sb).
• Authors of publication: Pop, Flavia; Auban-Senzier, Pascale; Canadell, Enric; Avarvari, Narcis
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 84
• Pages of publication: 12438 - 12441
• a: 6.6588 ± 0.0007 Å
• b: 8.4075 ± 0.0015 Å
• c: 15.219 ± 0.005 Å
• α: 83.79 ± 0.03°
• β: 77.405 ± 0.017°
• γ: 67.799 ± 0.013°
• Cell volume: 769.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No