Information card for entry 4117186

Structure parameters

• Common name: Bis(ethylenedithio)tetrathiafulvalenium 1-pentafluorothio-2,2-difluoroethane-2-sulfonate (2:1)
• Formula: C22 H18 F7 O3 S18
• Calculated formula: C22 H18 F7 O3 S18
• Title of publication: Superconductivity at 5.2 K in an Electron Donor Radical Salt of Bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) with the Novel Polyfluorinated Organic Anion SF~5~CH~2~CF~2~SO~3~^-^
• Authors of publication: Urs Geiser; John A. Schlueter; H. Hau Wang; Aravinda M. Kini; Jack M. Williams; Paul P. Sche; Halina I. Zakowicz; Michael L. VanZile; James D. Dudek; Paul G. Nixon; Rolf W. Winter; Gary L. Gard; J. Ren; M.-H. Whangbo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 9996 - 9997
• a: 9.1536 ± 0.0006 Å
• b: 11.4395 ± 0.0008 Å
• c: 17.4905 ± 0.0012 Å
• α: 94.316 ± 0.001°
• β: 91.129 ± 0.001°
• γ: 102.764 ± 0.001°
• Cell volume: 1779.9 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 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 significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for significantly intense reflections: 1.635
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No