Information card for entry 7125084

Structure parameters

• Formula: C20 H20 As F6 S12
• Calculated formula: C20 H20 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: 6.6849 ± 0.0005 Å
• b: 8.3964 ± 0.0008 Å
• c: 15.203 ± 0.003 Å
• α: 86.78 ± 0.012°
• β: 77.306 ± 0.009°
• γ: 68.018 ± 0.006°
• Cell volume: 771.63 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No