Information card for entry 7125088

Structure parameters

• Formula: C20 H20 As2 F12 S12
• Calculated formula: C20 H20 As2 F12 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: 8.0746 ± 0.0005 Å
• b: 16.1837 ± 0.0007 Å
• c: 14.0446 ± 0.0006 Å
• α: 90°
• β: 100.159 ± 0.004°
• γ: 90°
• Cell volume: 1806.53 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1282
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No