Information card for entry 7204051

Structure parameters

• Chemical name: Bis(ethylenedithio)tetrathiafulvalenium 1-pentafluorothio-1,2,2-trifluoro-ethylsulfonate (2:1)
• Formula: C22 H17 F8 O3 S18
• Calculated formula: C21.996 H17 F7.988 O2.996 S18
• Title of publication: Crystal structure, physical properties and electronic structure of a new organic conductor β″-(BEDT-TTF)2SF5CHFCF2SO3
• Authors of publication: John A. Schlueter; Brian H. Ward; Urs Geiser; Hau H. Wang; Aravinda M. Kini; James Parakka; Emilio Morales; H.-J. Koo; M.-H. Whangbo; R. W. Winter; J. Mohtasham; Gary L. Gard
• Journal of publication: J. Mater. Chem.
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 2008 - 2013
• a: 9.2233 ± 0.0005 Å
• b: 11.5932 ± 0.0006 Å
• c: 17.8088 ± 0.0009 Å
• α: 93.863 ± 0.001°
• β: 94.543 ± 0.001°
• γ: 103.071 ± 0.001°
• Cell volume: 1841.94 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1126
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No