Information card for entry 7125085

Structure parameters

• Formula: C20 H20 F6 S12 Sb
• Calculated formula: C20 H20 F6 S12 Sb
• 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: 6.6221 ± 0.0004 Å
• b: 8.485 ± 0.0004 Å
• c: 15.3114 ± 0.0009 Å
• α: 87.078 ± 0.005°
• β: 77.556 ± 0.005°
• γ: 68.221 ± 0.004°
• Cell volume: 779.75 ± 0.08 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: 0.0879
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No