Information card for entry 2000730

Structure parameters

• Chemical name: ζ-di[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] hexafluorophosphate
• Formula: C24 H24 F6 O P S16
• Calculated formula: C24 H24 F6 O2 P S16
• Title of publication: Structure of ζ-(BEDT-TTF)~2~PF~6~.C~4~H~8~O~2~
• 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: 1563 - 1565
• a: 8.293 ± 0.001 Å
• b: 6.703 ± 0.001 Å
• c: 33.02 ± 0.008 Å
• α: 90°
• β: 91.87 ± 0.02°
• γ: 90°
• Cell volume: 1834.5 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for significantly intense reflections: 0.119
• Weighted residual factors for significantly intense reflections: 0.141
• Goodness-of-fit parameter for significantly intense reflections: 3.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No