Information card for entry 2000727

Structure parameters

• Chemical name: δ-[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] hexafluorophosphate
• Formula: C10 H8 F6 P S8
• Calculated formula: C10 H8 F6 P S8
• Title of publication: Structure of δ-(BEDT-TTF)PF~6~
• Authors of publication: Bu, X.; Cisarova, I.; Coppens, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 1558 - 1560
• a: 6.4253 ± 0.0006 Å
• b: 10.7241 ± 0.0008 Å
• c: 13.049 ± 0.001 Å
• α: 84.084 ± 0.006°
• β: 82.435 ± 0.007°
• γ: 87.378 ± 0.007°
• Cell volume: 886.1 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 2.55
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No