Information card for entry 2000729

Structure parameters

• Chemical name: ε-[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 {εpsilon}-(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: 1562 - 1563
• a: 14.527 ± 0.001 Å
• b: 10.735 ± 0.002 Å
• c: 5.9233 ± 0.0006 Å
• α: 90°
• β: 105.559 ± 0.008°
• γ: 90°
• Cell volume: 889.9 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.114
• Goodness-of-fit parameter for significantly intense reflections: 6.4
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No